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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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/RydC_test-a58b6dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_test-a58b6dac/inputs/seq.fa: 1
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
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 65 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: 330
n_atoms_counter: 330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 65.000000 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: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -261.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279949 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -253.295900
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -348.630164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.630164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.630164 (E_RNA)
where:
Base-Base interactions energy: -166.798
where: short stacking energy: -166.798
Base-Backbone interact. energy: 1.048
local terms energy: -182.880343
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -37.290
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -337.568111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.568111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.568111 (E_RNA)
where:
Base-Base interactions energy: -139.392
where: short stacking energy: -134.571
Base-Backbone interact. energy: -0.026
local terms energy: -198.150369
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -33.721
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -315.307840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.307840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.307840 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -126.344
Base-Backbone interact. energy: -0.237
local terms energy: -188.726964
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -31.052
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -281.531311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.531311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.531311 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -102.151
Base-Backbone interact. energy: -0.220
local terms energy: -174.473790
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -29.761
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -277.942716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.942716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.942716 (E_RNA)
where:
Base-Base interactions energy: -121.920
where: short stacking energy: -118.963
Base-Backbone interact. energy: 0.584
local terms energy: -156.606647
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -27.345
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: 2
Temperature: 1.150000
Total energy: -274.657185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.657185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.657185 (E_RNA)
where:
Base-Base interactions energy: -130.430
where: short stacking energy: -78.476
Base-Backbone interact. energy: -1.599
local terms energy: -142.628375
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -27.966
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -259.443269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.443269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.443269 (E_RNA)
where:
Base-Base interactions energy: -10.226
where: short stacking energy: -10.226
Base-Backbone interact. energy: -0.000
local terms energy: -249.216760
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -259.559145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.559145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.559145 (E_RNA)
where:
Base-Base interactions energy: -14.541
where: short stacking energy: -14.541
Base-Backbone interact. energy: -0.000
local terms energy: -245.018587
where:
bonds (distance) C4'-P energy: -60.101
bonds (distance) P-C4' energy: -55.787
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -28.281
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -259.441265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.441265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.441265 (E_RNA)
where:
Base-Base interactions energy: -10.224
where: short stacking energy: -10.224
Base-Backbone interact. energy: -0.000
local terms energy: -249.216760
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -259.279694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.279694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.279694 (E_RNA)
where:
Base-Base interactions energy: -10.223
where: short stacking energy: -10.223
Base-Backbone interact. energy: -0.000
local terms energy: -249.056256
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -47.427
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -28.744
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -410.829219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.829219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.829219 (E_RNA)
where:
Base-Base interactions energy: -210.956
where: short stacking energy: -170.429
Base-Backbone interact. energy: -0.779
local terms energy: -199.093837
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -44.894
flat angles C4'-P-C4' energy: -47.421
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -43.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -359.768616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.768616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.768616 (E_RNA)
where:
Base-Base interactions energy: -165.947
where: short stacking energy: -153.552
Base-Backbone interact. energy: -0.165
local terms energy: -193.656100
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -42.496
flat angles C4'-P-C4' energy: -46.407
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -33.185
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -338.499792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.499792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.499792 (E_RNA)
where:
Base-Base interactions energy: -161.086
where: short stacking energy: -132.462
Base-Backbone interact. energy: -0.990
local terms energy: -176.423995
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -38.624
flat angles C4'-P-C4' energy: -43.245
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -29.510
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -377.465490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.465490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.465490 (E_RNA)
where:
Base-Base interactions energy: -214.694
where: short stacking energy: -123.123
Base-Backbone interact. energy: 0.609
local terms energy: -163.380632
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -39.402
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -31.090
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -328.753008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.753008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.753008 (E_RNA)
where:
Base-Base interactions energy: -159.137
where: short stacking energy: -122.594
Base-Backbone interact. energy: -1.113
local terms energy: -168.502637
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -46.499
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -30.752
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -253.984857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.984857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.984857 (E_RNA)
where:
Base-Base interactions energy: -97.637
where: short stacking energy: -83.318
Base-Backbone interact. energy: 0.802
local terms energy: -157.149615
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -45.961
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -14.718
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -288.095878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.095878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.095878 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -99.391
Base-Backbone interact. energy: -0.629
local terms energy: -139.339420
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -15.858
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -225.267501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267501 (E_RNA)
where:
Base-Base interactions energy: -76.966
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.236
local terms energy: -148.065624
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -37.487
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -203.047370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.047370 (E_RNA)
where:
Base-Base interactions energy: -61.447
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.068
local terms energy: -141.532552
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -181.455349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455349 (E_RNA)
where:
Base-Base interactions energy: -64.261
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.297
local terms energy: -116.897145
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -40.015
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: 4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -451.199496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.199496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.199496 (E_RNA)
where:
Base-Base interactions energy: -256.263
where: short stacking energy: -161.171
Base-Backbone interact. energy: -0.067
local terms energy: -194.868564
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -44.109
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -38.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -416.170516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.170516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.170516 (E_RNA)
where:
Base-Base interactions energy: -226.571
where: short stacking energy: -137.233
Base-Backbone interact. energy: 0.996
local terms energy: -190.595844
where:
bonds (distance) C4'-P energy: -42.787
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -46.944
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -31.382
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -417.180775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.180775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.180775 (E_RNA)
where:
Base-Base interactions energy: -225.893
where: short stacking energy: -121.488
Base-Backbone interact. energy: -0.441
local terms energy: -190.845894
where:
bonds (distance) C4'-P energy: -46.067
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -45.823
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -357.989638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.989638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.989638 (E_RNA)
where:
Base-Base interactions energy: -204.585
where: short stacking energy: -104.575
Base-Backbone interact. energy: 1.071
local terms energy: -154.475504
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -372.615053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.615053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.615053 (E_RNA)
where:
Base-Base interactions energy: -217.695
where: short stacking energy: -122.674
Base-Backbone interact. energy: 1.442
local terms energy: -156.362212
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -25.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -340.216725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.216725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.216725 (E_RNA)
where:
Base-Base interactions energy: -172.545
where: short stacking energy: -101.837
Base-Backbone interact. energy: -0.956
local terms energy: -166.715052
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -43.129
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -241.534988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.534988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.534988 (E_RNA)
where:
Base-Base interactions energy: -98.123
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.739
local terms energy: -142.672861
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -221.658608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.658608 (E_RNA)
where:
Base-Base interactions energy: -93.325
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.219
local terms energy: -128.114372
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -37.265
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -183.166252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.166252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.166252 (E_RNA)
where:
Base-Base interactions energy: -67.773
where: short stacking energy: -57.968
Base-Backbone interact. energy: -0.304
local terms energy: -115.089062
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -204.625788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625788 (E_RNA)
where:
Base-Base interactions energy: -85.306
where: short stacking energy: -56.414
Base-Backbone interact. energy: 3.199
local terms energy: -122.518959
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -41.490
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -465.169638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.169638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.169638 (E_RNA)
where:
Base-Base interactions energy: -261.816
where: short stacking energy: -146.803
Base-Backbone interact. energy: 0.995
local terms energy: -204.348692
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -51.319
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -23.255
tors. eta vs tors. theta energy: -37.836
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -487.333696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.333696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.333696 (E_RNA)
where:
Base-Base interactions energy: -288.229
where: short stacking energy: -153.244
Base-Backbone interact. energy: -1.575
local terms energy: -197.529627
where:
bonds (distance) C4'-P energy: -47.657
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -42.041
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -46.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -429.210647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.210647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.210647 (E_RNA)
where:
Base-Base interactions energy: -228.240
where: short stacking energy: -153.352
Base-Backbone interact. energy: -1.869
local terms energy: -199.101482
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -44.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -447.312033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.312033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.312033 (E_RNA)
where:
Base-Base interactions energy: -252.146
where: short stacking energy: -144.424
Base-Backbone interact. energy: -0.138
local terms energy: -195.027669
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -320.184362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.184362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.184362 (E_RNA)
where:
Base-Base interactions energy: -165.937
where: short stacking energy: -102.863
Base-Backbone interact. energy: -0.192
local terms energy: -154.055474
where:
bonds (distance) C4'-P energy: -42.342
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -42.376
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -358.600328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.600328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.600328 (E_RNA)
where:
Base-Base interactions energy: -205.952
where: short stacking energy: -109.800
Base-Backbone interact. energy: -1.076
local terms energy: -151.572492
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -247.301825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.301825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.301825 (E_RNA)
where:
Base-Base interactions energy: -98.392
where: short stacking energy: -66.698
Base-Backbone interact. energy: 1.321
local terms energy: -150.230126
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -309.490468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.490468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.490468 (E_RNA)
where:
Base-Base interactions energy: -160.963
where: short stacking energy: -97.832
Base-Backbone interact. energy: 2.618
local terms energy: -151.146219
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -179.744902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744902 (E_RNA)
where:
Base-Base interactions energy: -76.875
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.890
local terms energy: -101.980609
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: 12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -177.794481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.794481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794481 (E_RNA)
where:
Base-Base interactions energy: -72.093
where: short stacking energy: -59.068
Base-Backbone interact. energy: 1.811
local terms energy: -107.512246
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: 6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -528.591656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.591656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.591656 (E_RNA)
where:
Base-Base interactions energy: -331.890
where: short stacking energy: -151.001
Base-Backbone interact. energy: -0.684
local terms energy: -196.017158
where:
bonds (distance) C4'-P energy: -43.565
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -38.771
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -41.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -443.473670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.473670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.473670 (E_RNA)
where:
Base-Base interactions energy: -260.077
where: short stacking energy: -150.302
Base-Backbone interact. energy: 2.216
local terms energy: -185.612020
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -37.537
flat angles C4'-P-C4' energy: -36.830
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -33.846
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -480.103246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.103246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.103246 (E_RNA)
where:
Base-Base interactions energy: -287.662
where: short stacking energy: -144.810
Base-Backbone interact. energy: -0.321
local terms energy: -192.120104
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -43.380
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -418.698387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.698387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.698387 (E_RNA)
where:
Base-Base interactions energy: -245.528
where: short stacking energy: -137.734
Base-Backbone interact. energy: -1.434
local terms energy: -171.736914
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -44.083
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -29.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -338.161226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.161226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.161226 (E_RNA)
where:
Base-Base interactions energy: -174.468
where: short stacking energy: -108.450
Base-Backbone interact. energy: -0.483
local terms energy: -163.209297
where:
bonds (distance) C4'-P energy: -39.815
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -36.658
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -309.605119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.605119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.605119 (E_RNA)
where:
Base-Base interactions energy: -176.250
where: short stacking energy: -86.725
Base-Backbone interact. energy: -1.661
local terms energy: -131.694746
where:
bonds (distance) C4'-P energy: -32.882
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -338.133639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.133639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.133639 (E_RNA)
where:
Base-Base interactions energy: -189.771
where: short stacking energy: -104.771
Base-Backbone interact. energy: 0.242
local terms energy: -148.604655
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -19.284
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -212.530121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.530121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.530121 (E_RNA)
where:
Base-Base interactions energy: -69.642
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.460
local terms energy: -142.428422
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -8.411
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -237.479704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.479704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.479704 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -60.112
Base-Backbone interact. energy: -2.082
local terms energy: -117.951797
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: 9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -177.783368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.783368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.783368 (E_RNA)
where:
Base-Base interactions energy: -61.074
where: short stacking energy: -55.793
Base-Backbone interact. energy: 2.036
local terms energy: -118.745001
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -33.471
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -542.777621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.777621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.777621 (E_RNA)
where:
Base-Base interactions energy: -317.532
where: short stacking energy: -167.701
Base-Backbone interact. energy: -0.534
local terms energy: -224.712431
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -56.888
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: 7
Temperature: 0.950000
Total energy: -515.924357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.924357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.924357 (E_RNA)
where:
Base-Base interactions energy: -320.164
where: short stacking energy: -149.878
Base-Backbone interact. energy: -1.063
local terms energy: -194.696888
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -42.832
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -35.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -461.806750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.806750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.806750 (E_RNA)
where:
Base-Base interactions energy: -275.959
where: short stacking energy: -141.375
Base-Backbone interact. energy: -1.156
local terms energy: -184.691233
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -44.878
flat angles P-C4'-P energy: -30.402
tors. eta vs tors. theta energy: -31.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -366.592467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.592467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.592467 (E_RNA)
where:
Base-Base interactions energy: -188.982
where: short stacking energy: -122.434
Base-Backbone interact. energy: -1.006
local terms energy: -176.604314
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -44.531
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -26.254
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: 7
Temperature: 1.100000
Total energy: -409.670949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.670949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.670949 (E_RNA)
where:
Base-Base interactions energy: -259.603
where: short stacking energy: -124.967
Base-Backbone interact. energy: -1.230
local terms energy: -148.837167
where:
bonds (distance) C4'-P energy: -38.093
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -360.844575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.844575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.844575 (E_RNA)
where:
Base-Base interactions energy: -213.077
where: short stacking energy: -107.951
Base-Backbone interact. energy: 0.786
local terms energy: -148.554366
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -291.793511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.793511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.793511 (E_RNA)
where:
Base-Base interactions energy: -164.037
where: short stacking energy: -90.002
Base-Backbone interact. energy: -1.148
local terms energy: -126.608517
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -314.359664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.359664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.359664 (E_RNA)
where:
Base-Base interactions energy: -148.086
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.830
local terms energy: -165.443724
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -42.153
flat angles C4'-P-C4' energy: -44.972
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -194.940831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.940831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.940831 (E_RNA)
where:
Base-Base interactions energy: -76.538
where: short stacking energy: -73.149
Base-Backbone interact. energy: 0.115
local terms energy: -118.517401
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -2.965
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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -190.823984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.823984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.823984 (E_RNA)
where:
Base-Base interactions energy: -63.960
where: short stacking energy: -48.589
Base-Backbone interact. energy: -1.034
local terms energy: -125.830147
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -38.352
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: 3.462
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: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -555.248645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.248645 (E_RNA)
where:
Base-Base interactions energy: -350.490
where: short stacking energy: -164.859
Base-Backbone interact. energy: -1.524
local terms energy: -203.233991
where:
bonds (distance) C4'-P energy: -38.614
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -49.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -519.412525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.412525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.412525 (E_RNA)
where:
Base-Base interactions energy: -322.308
where: short stacking energy: -152.602
Base-Backbone interact. energy: -1.961
local terms energy: -195.143436
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -36.010
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -427.086848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.086848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.086848 (E_RNA)
where:
Base-Base interactions energy: -256.989
where: short stacking energy: -146.927
Base-Backbone interact. energy: -0.116
local terms energy: -169.981640
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -45.218
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -407.314554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.314554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.314554 (E_RNA)
where:
Base-Base interactions energy: -226.575
where: short stacking energy: -121.678
Base-Backbone interact. energy: -2.300
local terms energy: -178.439281
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -455.362650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.362650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.362650 (E_RNA)
where:
Base-Base interactions energy: -272.782
where: short stacking energy: -135.450
Base-Backbone interact. energy: 0.617
local terms energy: -183.197526
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -43.013
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -29.866
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -362.759208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.759208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.759208 (E_RNA)
where:
Base-Base interactions energy: -212.963
where: short stacking energy: -124.836
Base-Backbone interact. energy: -0.166
local terms energy: -149.630726
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -29.852
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: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -316.414418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.414418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.414418 (E_RNA)
where:
Base-Base interactions energy: -170.890
where: short stacking energy: -87.022
Base-Backbone interact. energy: 2.144
local terms energy: -147.668985
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -40.761
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -305.540056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.540056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.540056 (E_RNA)
where:
Base-Base interactions energy: -174.856
where: short stacking energy: -81.853
Base-Backbone interact. energy: 1.856
local terms energy: -132.540323
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -36.114
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -206.731156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.731156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.731156 (E_RNA)
where:
Base-Base interactions energy: -74.138
where: short stacking energy: -47.775
Base-Backbone interact. energy: -1.746
local terms energy: -130.847667
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: 10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -258.034731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.034731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.034731 (E_RNA)
where:
Base-Base interactions energy: -135.889
where: short stacking energy: -88.071
Base-Backbone interact. energy: -0.535
local terms energy: -121.610170
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -555.753759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.753759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.753759 (E_RNA)
where:
Base-Base interactions energy: -331.955
where: short stacking energy: -162.046
Base-Backbone interact. energy: -2.958
local terms energy: -220.841112
where:
bonds (distance) C4'-P energy: -42.477
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -34.484
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: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -542.688760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.688760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.688760 (E_RNA)
where:
Base-Base interactions energy: -329.551
where: short stacking energy: -147.748
Base-Backbone interact. energy: 0.444
local terms energy: -213.581625
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -44.942
flat angles C4'-P-C4' energy: -47.883
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -42.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -443.194972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.194972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.194972 (E_RNA)
where:
Base-Base interactions energy: -253.035
where: short stacking energy: -136.517
Base-Backbone interact. energy: 1.762
local terms energy: -191.922206
where:
bonds (distance) C4'-P energy: -44.401
bonds (distance) P-C4' energy: -46.976
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -30.119
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: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -511.334311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.334311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.334311 (E_RNA)
where:
Base-Base interactions energy: -337.742
where: short stacking energy: -138.511
Base-Backbone interact. energy: -1.391
local terms energy: -172.201569
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -32.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -403.669899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.669899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.669899 (E_RNA)
where:
Base-Base interactions energy: -229.240
where: short stacking energy: -141.378
Base-Backbone interact. energy: -1.674
local terms energy: -172.756334
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -37.278
flat angles C4'-P-C4' energy: -40.433
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -403.561873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.561873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.561873 (E_RNA)
where:
Base-Base interactions energy: -237.676
where: short stacking energy: -125.910
Base-Backbone interact. energy: -0.169
local terms energy: -165.716947
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -40.866
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -31.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -309.184047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.184047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.184047 (E_RNA)
where:
Base-Base interactions energy: -176.784
where: short stacking energy: -85.296
Base-Backbone interact. energy: -1.650
local terms energy: -130.750222
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -201.910337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.910337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.910337 (E_RNA)
where:
Base-Base interactions energy: -74.488
where: short stacking energy: -62.021
Base-Backbone interact. energy: -1.285
local terms energy: -126.137386
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: 5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -312.625278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.625278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.625278 (E_RNA)
where:
Base-Base interactions energy: -184.942
where: short stacking energy: -84.596
Base-Backbone interact. energy: 0.515
local terms energy: -128.197582
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -186.488217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.488217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.488217 (E_RNA)
where:
Base-Base interactions energy: -66.534
where: short stacking energy: -55.127
Base-Backbone interact. energy: 0.271
local terms energy: -120.224949
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -41.284
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -586.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.137551 (E_RNA)
where:
Base-Base interactions energy: -375.154
where: short stacking energy: -181.504
Base-Backbone interact. energy: -2.333
local terms energy: -208.650821
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -42.356
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -46.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -535.295109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.295109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.295109 (E_RNA)
where:
Base-Base interactions energy: -345.860
where: short stacking energy: -149.157
Base-Backbone interact. energy: -0.907
local terms energy: -188.527401
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -51.800
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -33.599
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -567.864020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.864020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.864020 (E_RNA)
where:
Base-Base interactions energy: -365.333
where: short stacking energy: -170.686
Base-Backbone interact. energy: -0.099
local terms energy: -202.432143
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -39.665
flat angles C4'-P-C4' energy: -48.546
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -50.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -444.326848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.326848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.326848 (E_RNA)
where:
Base-Base interactions energy: -277.102
where: short stacking energy: -119.983
Base-Backbone interact. energy: 0.283
local terms energy: -167.508290
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -45.915
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -429.557729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.557729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.557729 (E_RNA)
where:
Base-Base interactions energy: -275.159
where: short stacking energy: -140.645
Base-Backbone interact. energy: 0.399
local terms energy: -154.798023
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -26.671
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: 10
Temperature: 1.150000
Total energy: -375.476414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.476414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.476414 (E_RNA)
where:
Base-Base interactions energy: -204.145
where: short stacking energy: -103.372
Base-Backbone interact. energy: -0.630
local terms energy: -170.701159
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -243.949177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.949177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949177 (E_RNA)
where:
Base-Base interactions energy: -92.510
where: short stacking energy: -91.016
Base-Backbone interact. energy: -0.682
local terms energy: -150.757755
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -22.178
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: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -275.609572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.609572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.609572 (E_RNA)
where:
Base-Base interactions energy: -137.582
where: short stacking energy: -57.322
Base-Backbone interact. energy: 2.750
local terms energy: -140.777649
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -338.624718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.624718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.624718 (E_RNA)
where:
Base-Base interactions energy: -176.529
where: short stacking energy: -82.649
Base-Backbone interact. energy: 0.312
local terms energy: -162.407929
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -180.197090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.197090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.197090 (E_RNA)
where:
Base-Base interactions energy: -60.552
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.128
local terms energy: -119.517046
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: 6.713
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: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -578.945491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.945491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.945491 (E_RNA)
where:
Base-Base interactions energy: -359.102
where: short stacking energy: -174.667
Base-Backbone interact. energy: -0.463
local terms energy: -219.379601
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -52.636
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: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -557.553049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.553049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.553049 (E_RNA)
where:
Base-Base interactions energy: -366.796
where: short stacking energy: -172.133
Base-Backbone interact. energy: -0.849
local terms energy: -189.907775
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -45.007
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -46.600
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -579.650467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.650467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.650467 (E_RNA)
where:
Base-Base interactions energy: -361.032
where: short stacking energy: -179.295
Base-Backbone interact. energy: -0.174
local terms energy: -218.444706
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -36.596
tors. eta vs tors. theta energy: -54.499
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: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -459.274233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.274233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.274233 (E_RNA)
where:
Base-Base interactions energy: -285.000
where: short stacking energy: -156.068
Base-Backbone interact. energy: 0.938
local terms energy: -175.211523
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -31.558
tors. eta vs tors. theta energy: -35.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -443.839192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.839192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.839192 (E_RNA)
where:
Base-Base interactions energy: -259.942
where: short stacking energy: -119.778
Base-Backbone interact. energy: -0.637
local terms energy: -183.260420
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -42.319
flat angles C4'-P-C4' energy: -46.496
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -30.167
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: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -329.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.003055 (E_RNA)
where:
Base-Base interactions energy: -180.465
where: short stacking energy: -108.245
Base-Backbone interact. energy: 1.651
local terms energy: -150.189054
where:
bonds (distance) C4'-P energy: -36.488
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -19.818
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: 11
Temperature: 1.200000
Total energy: -268.883344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.883344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.883344 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.468
local terms energy: -139.807618
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -4.756
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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -353.012749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.012749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.012749 (E_RNA)
where:
Base-Base interactions energy: -197.335
where: short stacking energy: -100.148
Base-Backbone interact. energy: 1.668
local terms energy: -157.345278
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -41.674
flat angles P-C4'-P energy: -29.062
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -264.625258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.625258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.625258 (E_RNA)
where:
Base-Base interactions energy: -138.943
where: short stacking energy: -93.035
Base-Backbone interact. energy: -0.508
local terms energy: -125.173776
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -21.743
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -211.977179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.977179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.977179 (E_RNA)
where:
Base-Base interactions energy: -60.823
where: short stacking energy: -48.968
Base-Backbone interact. energy: 1.337
local terms energy: -152.491808
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -585.123210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.123210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.123210 (E_RNA)
where:
Base-Base interactions energy: -388.437
where: short stacking energy: -171.145
Base-Backbone interact. energy: -3.001
local terms energy: -193.684793
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -44.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -570.714319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.714319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.714319 (E_RNA)
where:
Base-Base interactions energy: -376.091
where: short stacking energy: -172.113
Base-Backbone interact. energy: -0.568
local terms energy: -194.055569
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -41.138
flat angles P-C4'-P energy: -28.864
tors. eta vs tors. theta energy: -48.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -582.900379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.900379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.900379 (E_RNA)
where:
Base-Base interactions energy: -381.831
where: short stacking energy: -184.858
Base-Backbone interact. energy: 0.537
local terms energy: -201.606614
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -50.566
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: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -464.007816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.007816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.007816 (E_RNA)
where:
Base-Base interactions energy: -286.463
where: short stacking energy: -160.947
Base-Backbone interact. energy: 0.692
local terms energy: -178.236845
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -41.934
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -443.220732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.220732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.220732 (E_RNA)
where:
Base-Base interactions energy: -269.089
where: short stacking energy: -125.530
Base-Backbone interact. energy: 0.871
local terms energy: -175.002873
where:
bonds (distance) C4'-P energy: -38.340
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -32.593
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: 12
Temperature: 1.150000
Total energy: -325.506022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.506022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.506022 (E_RNA)
where:
Base-Base interactions energy: -162.436
where: short stacking energy: -97.506
Base-Backbone interact. energy: -0.430
local terms energy: -162.640025
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -47.894
flat angles C4'-P-C4' energy: -40.656
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -348.757856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.757856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.757856 (E_RNA)
where:
Base-Base interactions energy: -201.097
where: short stacking energy: -99.833
Base-Backbone interact. energy: -0.716
local terms energy: -146.944606
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -44.769
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -244.652171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.652171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.652171 (E_RNA)
where:
Base-Base interactions energy: -122.590
where: short stacking energy: -68.875
Base-Backbone interact. energy: -0.535
local terms energy: -121.526359
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: 5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -279.485828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.485828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.485828 (E_RNA)
where:
Base-Base interactions energy: -153.861
where: short stacking energy: -59.191
Base-Backbone interact. energy: -1.507
local terms energy: -124.118121
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -201.271080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271080 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.154
local terms energy: -132.825360
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -35.780
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -6.750
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: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -593.870885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.870885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.870885 (E_RNA)
where:
Base-Base interactions energy: -397.219
where: short stacking energy: -166.583
Base-Backbone interact. energy: 0.467
local terms energy: -197.118901
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -43.467
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -42.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -614.538578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.538578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.538578 (E_RNA)
where:
Base-Base interactions energy: -396.897
where: short stacking energy: -183.682
Base-Backbone interact. energy: -0.766
local terms energy: -216.875682
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -51.554
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: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -527.705984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.705984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.705984 (E_RNA)
where:
Base-Base interactions energy: -342.329
where: short stacking energy: -155.414
Base-Backbone interact. energy: -0.286
local terms energy: -185.090189
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -38.007
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -37.200
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -497.118806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.118806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.118806 (E_RNA)
where:
Base-Base interactions energy: -294.560
where: short stacking energy: -147.844
Base-Backbone interact. energy: -1.210
local terms energy: -201.349036
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -46.929
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: -42.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -429.636379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.636379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.636379 (E_RNA)
where:
Base-Base interactions energy: -267.857
where: short stacking energy: -128.135
Base-Backbone interact. energy: -0.685
local terms energy: -161.093853
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -29.428
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -423.172016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.172016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.172016 (E_RNA)
where:
Base-Base interactions energy: -259.587
where: short stacking energy: -151.645
Base-Backbone interact. energy: 1.489
local terms energy: -165.074000
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -42.205
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -356.493487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.493487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.493487 (E_RNA)
where:
Base-Base interactions energy: -197.671
where: short stacking energy: -119.858
Base-Backbone interact. energy: -0.904
local terms energy: -157.918401
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -370.249553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.249553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.249553 (E_RNA)
where:
Base-Base interactions energy: -228.929
where: short stacking energy: -91.092
Base-Backbone interact. energy: -3.028
local terms energy: -138.291920
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -186.949294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.949294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.949294 (E_RNA)
where:
Base-Base interactions energy: -62.288
where: short stacking energy: -58.884
Base-Backbone interact. energy: 0.629
local terms energy: -125.290265
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -178.710102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.710102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.710102 (E_RNA)
where:
Base-Base interactions energy: -71.491
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.733
local terms energy: -106.485326
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: 5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -628.641342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.641342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.641342 (E_RNA)
where:
Base-Base interactions energy: -435.531
where: short stacking energy: -176.387
Base-Backbone interact. energy: 0.327
local terms energy: -193.438105
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -28.794
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: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -615.400820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.400820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.400820 (E_RNA)
where:
Base-Base interactions energy: -417.484
where: short stacking energy: -200.085
Base-Backbone interact. energy: -0.271
local terms energy: -197.645646
where:
bonds (distance) C4'-P energy: -36.110
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -41.776
flat angles P-C4'-P energy: -29.136
tors. eta vs tors. theta energy: -55.877
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: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -528.202350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.202350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.202350 (E_RNA)
where:
Base-Base interactions energy: -340.271
where: short stacking energy: -165.677
Base-Backbone interact. energy: -0.276
local terms energy: -187.655675
where:
bonds (distance) C4'-P energy: -39.417
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -45.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -514.235755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.235755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.235755 (E_RNA)
where:
Base-Base interactions energy: -319.853
where: short stacking energy: -150.628
Base-Backbone interact. energy: -0.748
local terms energy: -193.635000
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -41.415
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -43.817
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -430.274368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.274368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.274368 (E_RNA)
where:
Base-Base interactions energy: -255.912
where: short stacking energy: -134.248
Base-Backbone interact. energy: 0.420
local terms energy: -174.782318
where:
bonds (distance) C4'-P energy: -38.121
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -47.523
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -27.724
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: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -435.781183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.781183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.781183 (E_RNA)
where:
Base-Base interactions energy: -272.211
where: short stacking energy: -126.508
Base-Backbone interact. energy: -0.347
local terms energy: -163.223437
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -35.405
flat angles P-C4'-P energy: -28.461
tors. eta vs tors. theta energy: -24.718
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: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -398.086758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.086758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.086758 (E_RNA)
where:
Base-Base interactions energy: -242.344
where: short stacking energy: -104.234
Base-Backbone interact. energy: -2.362
local terms energy: -153.379954
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -306.655616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.655616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.655616 (E_RNA)
where:
Base-Base interactions energy: -160.331
where: short stacking energy: -81.905
Base-Backbone interact. energy: -0.320
local terms energy: -146.004705
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -212.174894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.174894 (E_RNA)
where:
Base-Base interactions energy: -61.862
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.958
local terms energy: -149.354728
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -39.448
flat angles C4'-P-C4' energy: -42.787
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -220.056101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.056101 (E_RNA)
where:
Base-Base interactions energy: -91.370
where: short stacking energy: -77.118
Base-Backbone interact. energy: -0.390
local terms energy: -128.295397
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -14.526
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: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -627.915225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.915225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.915225 (E_RNA)
where:
Base-Base interactions energy: -422.945
where: short stacking energy: -166.831
Base-Backbone interact. energy: 0.381
local terms energy: -205.351257
where:
bonds (distance) C4'-P energy: -43.130
bonds (distance) P-C4' energy: -46.496
flat angles C4'-P-C4' energy: -41.392
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -42.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -622.773080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.773080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.773080 (E_RNA)
where:
Base-Base interactions energy: -397.702
where: short stacking energy: -198.438
Base-Backbone interact. energy: -0.242
local terms energy: -224.828608
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -47.121
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -57.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -511.536299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.536299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.536299 (E_RNA)
where:
Base-Base interactions energy: -312.362
where: short stacking energy: -146.711
Base-Backbone interact. energy: -0.576
local terms energy: -198.597994
where:
bonds (distance) C4'-P energy: -45.327
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -40.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -530.951311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.951311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.951311 (E_RNA)
where:
Base-Base interactions energy: -339.347
where: short stacking energy: -156.999
Base-Backbone interact. energy: -0.464
local terms energy: -191.140178
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -39.066
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -440.200889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.200889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.200889 (E_RNA)
where:
Base-Base interactions energy: -262.483
where: short stacking energy: -126.255
Base-Backbone interact. energy: -0.614
local terms energy: -177.103899
where:
bonds (distance) C4'-P energy: -40.211
bonds (distance) P-C4' energy: -45.167
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -33.184
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: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -452.709263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.709263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.709263 (E_RNA)
where:
Base-Base interactions energy: -288.314
where: short stacking energy: -133.680
Base-Backbone interact. energy: 0.449
local terms energy: -164.843981
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -45.578
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -20.659
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: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -417.812912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.812912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.812912 (E_RNA)
where:
Base-Base interactions energy: -246.551
where: short stacking energy: -122.014
Base-Backbone interact. energy: -0.723
local terms energy: -170.539709
where:
bonds (distance) C4'-P energy: -43.954
bonds (distance) P-C4' energy: -36.259
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -346.767597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.767597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.767597 (E_RNA)
where:
Base-Base interactions energy: -203.067
where: short stacking energy: -96.421
Base-Backbone interact. energy: -1.093
local terms energy: -142.608261
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -221.319944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319944 (E_RNA)
where:
Base-Base interactions energy: -88.607
where: short stacking energy: -61.428
Base-Backbone interact. energy: 2.316
local terms energy: -135.029711
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -192.408886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.408886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.408886 (E_RNA)
where:
Base-Base interactions energy: -62.003
where: short stacking energy: -45.806
Base-Backbone interact. energy: 0.063
local terms energy: -130.468497
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: 11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -643.802779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.802779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.802779 (E_RNA)
where:
Base-Base interactions energy: -418.280
where: short stacking energy: -201.601
Base-Backbone interact. energy: -0.061
local terms energy: -225.461552
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -63.857
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: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -620.188443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.188443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.188443 (E_RNA)
where:
Base-Base interactions energy: -403.015
where: short stacking energy: -162.151
Base-Backbone interact. energy: -1.857
local terms energy: -215.316660
where:
bonds (distance) C4'-P energy: -43.484
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: -40.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -529.047865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.047865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.047865 (E_RNA)
where:
Base-Base interactions energy: -323.571
where: short stacking energy: -177.644
Base-Backbone interact. energy: 0.933
local terms energy: -206.410079
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -49.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -488.617501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.617501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.617501 (E_RNA)
where:
Base-Base interactions energy: -309.488
where: short stacking energy: -143.471
Base-Backbone interact. energy: -0.441
local terms energy: -178.687926
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -43.894
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -34.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -493.144266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.144266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.144266 (E_RNA)
where:
Base-Base interactions energy: -328.662
where: short stacking energy: -145.651
Base-Backbone interact. energy: 1.295
local terms energy: -165.777639
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -32.232
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: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -451.987852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.987852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.987852 (E_RNA)
where:
Base-Base interactions energy: -290.831
where: short stacking energy: -131.831
Base-Backbone interact. energy: -0.330
local terms energy: -160.826232
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -29.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -406.274504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.274504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.274504 (E_RNA)
where:
Base-Base interactions energy: -261.705
where: short stacking energy: -115.994
Base-Backbone interact. energy: 0.392
local terms energy: -144.961264
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -27.466
tors. eta vs tors. theta energy: -26.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -325.926173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.926173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.926173 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -100.491
Base-Backbone interact. energy: 0.297
local terms energy: -151.700256
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -11.414
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -215.246248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.246248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.246248 (E_RNA)
where:
Base-Base interactions energy: -89.593
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.622
local terms energy: -125.031429
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -37.153
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: 0.098
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: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -187.407567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.407567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.407567 (E_RNA)
where:
Base-Base interactions energy: -63.023
where: short stacking energy: -55.795
Base-Backbone interact. energy: 4.000
local terms energy: -128.384613
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -46.109
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -4.493
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -633.266902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.266902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.266902 (E_RNA)
where:
Base-Base interactions energy: -397.719
where: short stacking energy: -199.797
Base-Backbone interact. energy: -0.013
local terms energy: -235.535148
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -49.920
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -66.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -621.339093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.339093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.339093 (E_RNA)
where:
Base-Base interactions energy: -419.493
where: short stacking energy: -168.222
Base-Backbone interact. energy: -2.521
local terms energy: -199.324655
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -43.980
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -39.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -539.179927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.179927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.179927 (E_RNA)
where:
Base-Base interactions energy: -340.703
where: short stacking energy: -179.009
Base-Backbone interact. energy: -0.522
local terms energy: -197.954923
where:
bonds (distance) C4'-P energy: -46.547
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -51.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -489.688426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.688426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.688426 (E_RNA)
where:
Base-Base interactions energy: -316.686
where: short stacking energy: -142.825
Base-Backbone interact. energy: -0.042
local terms energy: -172.960280
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -27.664
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -520.410172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.410172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.410172 (E_RNA)
where:
Base-Base interactions energy: -336.697
where: short stacking energy: -157.411
Base-Backbone interact. energy: -0.828
local terms energy: -182.885176
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -39.394
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -41.023
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -426.349743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.349743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.349743 (E_RNA)
where:
Base-Base interactions energy: -272.196
where: short stacking energy: -131.288
Base-Backbone interact. energy: 1.007
local terms energy: -155.160916
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -393.930305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.930305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.930305 (E_RNA)
where:
Base-Base interactions energy: -249.815
where: short stacking energy: -106.768
Base-Backbone interact. energy: 2.781
local terms energy: -146.895992
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -391.097009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.097009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.097009 (E_RNA)
where:
Base-Base interactions energy: -222.574
where: short stacking energy: -125.588
Base-Backbone interact. energy: -1.183
local terms energy: -167.339468
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -41.174
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -28.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -200.417315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.417315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.417315 (E_RNA)
where:
Base-Base interactions energy: -68.728
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.352
local terms energy: -131.337399
where:
bonds (distance) C4'-P energy: -47.464
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: 3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -167.627257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.627257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.627257 (E_RNA)
where:
Base-Base interactions energy: -50.549
where: short stacking energy: -40.664
Base-Backbone interact. energy: -1.073
local terms energy: -116.004609
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -40.712
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: 8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -642.228338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.228338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.228338 (E_RNA)
where:
Base-Base interactions energy: -419.872
where: short stacking energy: -195.360
Base-Backbone interact. energy: 0.433
local terms energy: -222.789661
where:
bonds (distance) C4'-P energy: -36.855
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -56.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -595.280362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.280362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.280362 (E_RNA)
where:
Base-Base interactions energy: -399.101
where: short stacking energy: -175.881
Base-Backbone interact. energy: -2.212
local terms energy: -193.967642
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -43.830
flat angles P-C4'-P energy: -30.202
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: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -531.214853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.214853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.214853 (E_RNA)
where:
Base-Base interactions energy: -343.625
where: short stacking energy: -172.069
Base-Backbone interact. energy: -1.131
local terms energy: -186.457946
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -39.548
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -48.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -534.624419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.624419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.624419 (E_RNA)
where:
Base-Base interactions energy: -332.341
where: short stacking energy: -162.946
Base-Backbone interact. energy: -1.185
local terms energy: -201.098001
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -43.772
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -49.452
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: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -512.847348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.847348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.847348 (E_RNA)
where:
Base-Base interactions energy: -328.549
where: short stacking energy: -129.592
Base-Backbone interact. energy: -1.138
local terms energy: -183.160341
where:
bonds (distance) C4'-P energy: -42.385
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -45.088
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -34.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -464.418966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.418966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.418966 (E_RNA)
where:
Base-Base interactions energy: -287.156
where: short stacking energy: -125.974
Base-Backbone interact. energy: -1.043
local terms energy: -176.219610
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -32.973
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -386.578564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.578564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.578564 (E_RNA)
where:
Base-Base interactions energy: -238.176
where: short stacking energy: -105.912
Base-Backbone interact. energy: -1.991
local terms energy: -146.411244
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -332.348718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.348718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.348718 (E_RNA)
where:
Base-Base interactions energy: -189.265
where: short stacking energy: -90.797
Base-Backbone interact. energy: 3.085
local terms energy: -146.168813
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -193.555128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.555128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.555128 (E_RNA)
where:
Base-Base interactions energy: -77.608
where: short stacking energy: -53.775
Base-Backbone interact. energy: 4.642
local terms energy: -120.589690
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: 4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -183.081734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.081734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.081734 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.616
local terms energy: -141.296425
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -641.773987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.773987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.773987 (E_RNA)
where:
Base-Base interactions energy: -411.656
where: short stacking energy: -205.673
Base-Backbone interact. energy: -0.055
local terms energy: -230.062624
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -47.397
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -64.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -572.441830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.441830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.441830 (E_RNA)
where:
Base-Base interactions energy: -373.390
where: short stacking energy: -176.057
Base-Backbone interact. energy: -0.083
local terms energy: -198.968600
where:
bonds (distance) C4'-P energy: -38.909
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -46.611
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: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -549.058743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.058743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.058743 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -158.731
Base-Backbone interact. energy: -0.618
local terms energy: -203.484089
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -46.812
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -517.180559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.180559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.180559 (E_RNA)
where:
Base-Base interactions energy: -343.191
where: short stacking energy: -158.512
Base-Backbone interact. energy: -1.273
local terms energy: -172.716417
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -42.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -512.587323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.587323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.587323 (E_RNA)
where:
Base-Base interactions energy: -325.248
where: short stacking energy: -149.820
Base-Backbone interact. energy: 4.840
local terms energy: -192.179106
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -46.190
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -38.671
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: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -470.868552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.868552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.868552 (E_RNA)
where:
Base-Base interactions energy: -303.728
where: short stacking energy: -143.580
Base-Backbone interact. energy: -0.636
local terms energy: -166.504346
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -30.111
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: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -435.761414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.761414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.761414 (E_RNA)
where:
Base-Base interactions energy: -290.291
where: short stacking energy: -136.521
Base-Backbone interact. energy: -1.540
local terms energy: -143.929802
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -369.565236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.565236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.565236 (E_RNA)
where:
Base-Base interactions energy: -205.014
where: short stacking energy: -115.574
Base-Backbone interact. energy: -0.707
local terms energy: -163.844220
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -190.003467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003467 (E_RNA)
where:
Base-Base interactions energy: -77.846
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.482
local terms energy: -111.675678
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: 12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -183.587618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.587618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.587618 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -48.467
Base-Backbone interact. energy: -2.320
local terms energy: -127.522742
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -642.672617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.672617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.672617 (E_RNA)
where:
Base-Base interactions energy: -415.861
where: short stacking energy: -193.147
Base-Backbone interact. energy: -0.226
local terms energy: -226.584810
where:
bonds (distance) C4'-P energy: -44.073
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -51.494
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -54.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -586.393977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.393977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.393977 (E_RNA)
where:
Base-Base interactions energy: -393.885
where: short stacking energy: -173.542
Base-Backbone interact. energy: -1.947
local terms energy: -190.561630
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -41.669
flat angles C4'-P-C4' energy: -42.578
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -44.456
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: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -559.979771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.979771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.979771 (E_RNA)
where:
Base-Base interactions energy: -359.217
where: short stacking energy: -165.502
Base-Backbone interact. energy: -1.035
local terms energy: -199.727193
where:
bonds (distance) C4'-P energy: -43.709
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -44.491
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -501.697740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.697740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.697740 (E_RNA)
where:
Base-Base interactions energy: -312.753
where: short stacking energy: -141.796
Base-Backbone interact. energy: -1.160
local terms energy: -187.785200
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -30.942
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: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -484.958755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.958755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.958755 (E_RNA)
where:
Base-Base interactions energy: -294.926
where: short stacking energy: -137.945
Base-Backbone interact. energy: -0.652
local terms energy: -189.381535
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -38.340
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -40.427
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: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -491.662324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.662324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.662324 (E_RNA)
where:
Base-Base interactions energy: -310.528
where: short stacking energy: -139.451
Base-Backbone interact. energy: -0.579
local terms energy: -180.555119
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -36.932
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: 20
Temperature: 1.200000
Total energy: -418.507736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.507736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.507736 (E_RNA)
where:
Base-Base interactions energy: -254.578
where: short stacking energy: -106.245
Base-Backbone interact. energy: -1.698
local terms energy: -162.231534
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -334.146197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.146197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.146197 (E_RNA)
where:
Base-Base interactions energy: -181.120
where: short stacking energy: -95.405
Base-Backbone interact. energy: 0.265
local terms energy: -153.291621
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -42.851
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -181.386372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.386372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386372 (E_RNA)
where:
Base-Base interactions energy: -75.852
where: short stacking energy: -73.902
Base-Backbone interact. energy: 2.811
local terms energy: -108.345390
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -191.931968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931968 (E_RNA)
where:
Base-Base interactions energy: -59.962
where: short stacking energy: -57.907
Base-Backbone interact. energy: -1.305
local terms energy: -130.665076
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -630.115969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.115969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.115969 (E_RNA)
where:
Base-Base interactions energy: -398.898
where: short stacking energy: -186.485
Base-Backbone interact. energy: -0.044
local terms energy: -231.174544
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -50.047
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -56.529
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -586.676463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.676463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.676463 (E_RNA)
where:
Base-Base interactions energy: -359.774
where: short stacking energy: -184.489
Base-Backbone interact. energy: -0.335
local terms energy: -226.567710
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -43.763
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -55.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -556.254079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.254079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.254079 (E_RNA)
where:
Base-Base interactions energy: -357.585
where: short stacking energy: -180.810
Base-Backbone interact. energy: 0.490
local terms energy: -199.159067
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -44.479
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -544.549473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.549473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.549473 (E_RNA)
where:
Base-Base interactions energy: -364.302
where: short stacking energy: -156.303
Base-Backbone interact. energy: -0.773
local terms energy: -179.475033
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -45.105
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -37.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -482.429983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.429983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.429983 (E_RNA)
where:
Base-Base interactions energy: -301.040
where: short stacking energy: -140.004
Base-Backbone interact. energy: -0.286
local terms energy: -181.103424
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -30.818
tors. eta vs tors. theta energy: -40.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -425.694014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.694014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.694014 (E_RNA)
where:
Base-Base interactions energy: -263.157
where: short stacking energy: -119.544
Base-Backbone interact. energy: -0.580
local terms energy: -161.957513
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -452.434515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.434515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.434515 (E_RNA)
where:
Base-Base interactions energy: -281.353
where: short stacking energy: -134.660
Base-Backbone interact. energy: 1.489
local terms energy: -172.570212
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -40.703
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: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -314.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.628912 (E_RNA)
where:
Base-Base interactions energy: -167.313
where: short stacking energy: -96.911
Base-Backbone interact. energy: -0.854
local terms energy: -146.461465
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -38.486
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -199.667553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.667553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.667553 (E_RNA)
where:
Base-Base interactions energy: -77.122
where: short stacking energy: -74.687
Base-Backbone interact. energy: 1.265
local terms energy: -123.810124
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -33.790
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -199.644420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.644420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.644420 (E_RNA)
where:
Base-Base interactions energy: -77.211
where: short stacking energy: -70.108
Base-Backbone interact. energy: 1.239
local terms energy: -123.672676
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -10.806
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -612.502407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.502407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.502407 (E_RNA)
where:
Base-Base interactions energy: -406.490
where: short stacking energy: -199.655
Base-Backbone interact. energy: -0.347
local terms energy: -205.665395
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -43.742
flat angles C4'-P-C4' energy: -46.554
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -53.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -610.102381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.102381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.102381 (E_RNA)
where:
Base-Base interactions energy: -393.905
where: short stacking energy: -184.035
Base-Backbone interact. energy: -0.166
local terms energy: -216.031292
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -45.423
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -58.641
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: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -571.427384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.427384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.427384 (E_RNA)
where:
Base-Base interactions energy: -376.256
where: short stacking energy: -151.299
Base-Backbone interact. energy: 0.083
local terms energy: -195.254064
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -41.457
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -40.767
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: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -500.223772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.223772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.223772 (E_RNA)
where:
Base-Base interactions energy: -304.937
where: short stacking energy: -143.362
Base-Backbone interact. energy: -1.026
local terms energy: -194.261133
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -36.245
flat angles C4'-P-C4' energy: -46.049
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -37.781
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: 22
Temperature: 1.100000
Total energy: -436.721845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.721845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.721845 (E_RNA)
where:
Base-Base interactions energy: -257.064
where: short stacking energy: -127.762
Base-Backbone interact. energy: -0.138
local terms energy: -179.520143
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -470.154287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.154287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.154287 (E_RNA)
where:
Base-Base interactions energy: -296.822
where: short stacking energy: -125.275
Base-Backbone interact. energy: -2.416
local terms energy: -170.915751
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -43.118
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -29.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -435.689438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.689438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.689438 (E_RNA)
where:
Base-Base interactions energy: -275.104
where: short stacking energy: -134.918
Base-Backbone interact. energy: 0.519
local terms energy: -161.103998
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -28.824
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: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -307.974278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.974278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.974278 (E_RNA)
where:
Base-Base interactions energy: -159.965
where: short stacking energy: -95.982
Base-Backbone interact. energy: 0.719
local terms energy: -148.727998
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -174.359965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.359965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.359965 (E_RNA)
where:
Base-Base interactions energy: -47.409
where: short stacking energy: -34.420
Base-Backbone interact. energy: -0.742
local terms energy: -126.208937
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -46.039
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -7.028
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: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -180.409408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.409408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.409408 (E_RNA)
where:
Base-Base interactions energy: -71.046
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.689
local terms energy: -108.675035
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: 4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -624.546394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.546394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.546394 (E_RNA)
where:
Base-Base interactions energy: -407.238
where: short stacking energy: -191.408
Base-Backbone interact. energy: -1.330
local terms energy: -215.978226
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -48.198
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -58.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -631.792503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.792503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.792503 (E_RNA)
where:
Base-Base interactions energy: -405.192
where: short stacking energy: -193.252
Base-Backbone interact. energy: -0.488
local terms energy: -226.112544
where:
bonds (distance) C4'-P energy: -46.522
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -592.490190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.490190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.490190 (E_RNA)
where:
Base-Base interactions energy: -391.334
where: short stacking energy: -171.190
Base-Backbone interact. energy: -1.996
local terms energy: -199.160000
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -48.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -509.195988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.195988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.195988 (E_RNA)
where:
Base-Base interactions energy: -317.953
where: short stacking energy: -153.889
Base-Backbone interact. energy: -1.028
local terms energy: -190.214552
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -49.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -458.918029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.918029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.918029 (E_RNA)
where:
Base-Base interactions energy: -284.307
where: short stacking energy: -154.191
Base-Backbone interact. energy: -1.218
local terms energy: -173.393645
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -38.766
flat angles C4'-P-C4' energy: -43.792
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -29.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -480.374553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.374553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.374553 (E_RNA)
where:
Base-Base interactions energy: -310.326
where: short stacking energy: -137.452
Base-Backbone interact. energy: 0.720
local terms energy: -170.769106
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -26.683
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: 23
Temperature: 1.200000
Total energy: -430.913055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.913055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.913055 (E_RNA)
where:
Base-Base interactions energy: -265.566
where: short stacking energy: -121.657
Base-Backbone interact. energy: -0.218
local terms energy: -165.129350
where:
bonds (distance) C4'-P energy: -38.633
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -24.248
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: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -304.536250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.536250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.536250 (E_RNA)
where:
Base-Base interactions energy: -155.893
where: short stacking energy: -90.257
Base-Backbone interact. energy: 0.624
local terms energy: -149.267256
where:
bonds (distance) C4'-P energy: -41.741
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -220.716373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.716373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.716373 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.063
local terms energy: -121.369225
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -39.697
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -205.200430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.200430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.200430 (E_RNA)
where:
Base-Base interactions energy: -86.323
where: short stacking energy: -62.940
Base-Backbone interact. energy: 0.196
local terms energy: -119.074081
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -670.574607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.574607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.574607 (E_RNA)
where:
Base-Base interactions energy: -440.272
where: short stacking energy: -215.816
Base-Backbone interact. energy: 0.009
local terms energy: -230.311195
where:
bonds (distance) C4'-P energy: -45.485
bonds (distance) P-C4' energy: -45.224
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -61.185
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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -597.187411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.187411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.187411 (E_RNA)
where:
Base-Base interactions energy: -390.879
where: short stacking energy: -177.983
Base-Backbone interact. energy: -0.690
local terms energy: -205.619083
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -44.761
flat angles P-C4'-P energy: -25.466
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: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -608.152591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.152591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.152591 (E_RNA)
where:
Base-Base interactions energy: -406.505
where: short stacking energy: -181.528
Base-Backbone interact. energy: 0.271
local terms energy: -201.918693
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -51.491
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -50.612
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: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -530.794773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.794773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.794773 (E_RNA)
where:
Base-Base interactions energy: -332.437
where: short stacking energy: -162.919
Base-Backbone interact. energy: 0.045
local terms energy: -198.403218
where:
bonds (distance) C4'-P energy: -42.223
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -502.871166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.871166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.871166 (E_RNA)
where:
Base-Base interactions energy: -330.327
where: short stacking energy: -154.186
Base-Backbone interact. energy: -0.722
local terms energy: -171.821921
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -41.064
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -43.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -446.289844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.289844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.289844 (E_RNA)
where:
Base-Base interactions energy: -289.669
where: short stacking energy: -138.152
Base-Backbone interact. energy: 1.080
local terms energy: -157.700892
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -469.503393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.503393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.503393 (E_RNA)
where:
Base-Base interactions energy: -277.378
where: short stacking energy: -132.308
Base-Backbone interact. energy: -0.435
local terms energy: -191.690108
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -43.546
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: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -273.819172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.819172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.819172 (E_RNA)
where:
Base-Base interactions energy: -125.061
where: short stacking energy: -79.459
Base-Backbone interact. energy: 0.088
local terms energy: -148.845810
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -42.359
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -9.131
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -252.441658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.441658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.441658 (E_RNA)
where:
Base-Base interactions energy: -124.479
where: short stacking energy: -65.086
Base-Backbone interact. energy: 1.182
local terms energy: -129.144612
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -39.954
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: 4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -178.101946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.101946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.101946 (E_RNA)
where:
Base-Base interactions energy: -53.818
where: short stacking energy: -43.007
Base-Backbone interact. energy: -0.125
local terms energy: -124.158430
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: 7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -661.481170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.481170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.481170 (E_RNA)
where:
Base-Base interactions energy: -425.542
where: short stacking energy: -202.730
Base-Backbone interact. energy: 0.731
local terms energy: -236.670519
where:
bonds (distance) C4'-P energy: -43.172
bonds (distance) P-C4' energy: -46.605
flat angles C4'-P-C4' energy: -44.706
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -70.118
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -599.553584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.553584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.553584 (E_RNA)
where:
Base-Base interactions energy: -375.704
where: short stacking energy: -191.822
Base-Backbone interact. energy: -0.366
local terms energy: -223.483625
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -49.229
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -58.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -606.922357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.922357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.922357 (E_RNA)
where:
Base-Base interactions energy: -404.450
where: short stacking energy: -182.486
Base-Backbone interact. energy: 1.369
local terms energy: -203.842231
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -40.206
flat angles P-C4'-P energy: -35.124
tors. eta vs tors. theta energy: -47.800
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -563.544727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.544727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.544727 (E_RNA)
where:
Base-Base interactions energy: -369.269
where: short stacking energy: -174.819
Base-Backbone interact. energy: -0.545
local terms energy: -193.730298
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -49.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -500.350131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.350131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.350131 (E_RNA)
where:
Base-Base interactions energy: -316.989
where: short stacking energy: -144.739
Base-Backbone interact. energy: -0.658
local terms energy: -182.704035
where:
bonds (distance) C4'-P energy: -41.476
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -32.009
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: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -503.583249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.583249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.583249 (E_RNA)
where:
Base-Base interactions energy: -322.548
where: short stacking energy: -143.017
Base-Backbone interact. energy: -1.920
local terms energy: -179.115749
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -39.706
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: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -459.154056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.154056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.154056 (E_RNA)
where:
Base-Base interactions energy: -279.693
where: short stacking energy: -131.756
Base-Backbone interact. energy: -0.672
local terms energy: -178.789352
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -34.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -276.935446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.935446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.935446 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -69.723
Base-Backbone interact. energy: 1.297
local terms energy: -127.973768
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -260.487492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.487492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.487492 (E_RNA)
where:
Base-Base interactions energy: -138.835
where: short stacking energy: -58.923
Base-Backbone interact. energy: -1.063
local terms energy: -120.589852
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -0.374
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: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -176.444659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.444659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.444659 (E_RNA)
where:
Base-Base interactions energy: -78.361
where: short stacking energy: -58.939
Base-Backbone interact. energy: -1.550
local terms energy: -96.533682
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -644.917585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.917585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.917585 (E_RNA)
where:
Base-Base interactions energy: -414.758
where: short stacking energy: -202.426
Base-Backbone interact. energy: 0.171
local terms energy: -230.330438
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -64.257
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -615.916335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.916335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.916335 (E_RNA)
where:
Base-Base interactions energy: -385.404
where: short stacking energy: -199.305
Base-Backbone interact. energy: -1.377
local terms energy: -229.135706
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -68.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -645.603080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.603080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.603080 (E_RNA)
where:
Base-Base interactions energy: -412.696
where: short stacking energy: -191.454
Base-Backbone interact. energy: -1.494
local terms energy: -231.412162
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -48.979
flat angles C4'-P-C4' energy: -51.277
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -55.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -583.674209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.674209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.674209 (E_RNA)
where:
Base-Base interactions energy: -371.294
where: short stacking energy: -167.596
Base-Backbone interact. energy: 0.241
local terms energy: -212.621448
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -44.872
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -511.250595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.250595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.250595 (E_RNA)
where:
Base-Base interactions energy: -326.424
where: short stacking energy: -156.784
Base-Backbone interact. energy: 2.144
local terms energy: -186.971472
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -28.709
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: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -456.545315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.545315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.545315 (E_RNA)
where:
Base-Base interactions energy: -288.210
where: short stacking energy: -124.404
Base-Backbone interact. energy: -1.251
local terms energy: -167.084550
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -30.283
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: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -457.559296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.559296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.559296 (E_RNA)
where:
Base-Base interactions energy: -290.161
where: short stacking energy: -125.801
Base-Backbone interact. energy: -0.393
local terms energy: -167.005379
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -44.035
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -28.628
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -265.382255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.382255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.382255 (E_RNA)
where:
Base-Base interactions energy: -131.996
where: short stacking energy: -90.794
Base-Backbone interact. energy: -0.714
local terms energy: -132.672732
where:
bonds (distance) C4'-P energy: -44.136
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -8.401
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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -192.497312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.497312 (E_RNA)
where:
Base-Base interactions energy: -63.536
where: short stacking energy: -57.659
Base-Backbone interact. energy: 1.195
local terms energy: -130.156398
where:
bonds (distance) C4'-P energy: -38.649
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -0.881
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -176.982745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.982745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.982745 (E_RNA)
where:
Base-Base interactions energy: -68.853
where: short stacking energy: -39.730
Base-Backbone interact. energy: -0.739
local terms energy: -107.390559
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: 2.237
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -673.406755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.406755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.406755 (E_RNA)
where:
Base-Base interactions energy: -437.368
where: short stacking energy: -211.915
Base-Backbone interact. energy: -0.325
local terms energy: -235.713619
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -42.478
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -64.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -673.668747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.668747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.668747 (E_RNA)
where:
Base-Base interactions energy: -447.560
where: short stacking energy: -223.800
Base-Backbone interact. energy: -0.318
local terms energy: -225.791013
where:
bonds (distance) C4'-P energy: -36.097
bonds (distance) P-C4' energy: -43.641
flat angles C4'-P-C4' energy: -49.381
flat angles P-C4'-P energy: -31.489
tors. eta vs tors. theta energy: -65.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -597.678310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.678310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.678310 (E_RNA)
where:
Base-Base interactions energy: -384.734
where: short stacking energy: -177.290
Base-Backbone interact. energy: -0.252
local terms energy: -212.691801
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -44.652
flat angles C4'-P-C4' energy: -43.465
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -604.059722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.059722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.059722 (E_RNA)
where:
Base-Base interactions energy: -401.481
where: short stacking energy: -188.807
Base-Backbone interact. energy: -0.477
local terms energy: -202.101900
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -39.669
flat angles C4'-P-C4' energy: -43.534
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -54.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -498.920966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.920966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.920966 (E_RNA)
where:
Base-Base interactions energy: -316.430
where: short stacking energy: -134.971
Base-Backbone interact. energy: 0.694
local terms energy: -183.184903
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -45.132
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -35.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -448.573591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.573591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.573591 (E_RNA)
where:
Base-Base interactions energy: -280.132
where: short stacking energy: -127.571
Base-Backbone interact. energy: 1.120
local terms energy: -169.560828
where:
bonds (distance) C4'-P energy: -40.732
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -41.543
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -467.777249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.777249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.777249 (E_RNA)
where:
Base-Base interactions energy: -296.496
where: short stacking energy: -135.493
Base-Backbone interact. energy: -0.653
local terms energy: -170.629118
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -33.433
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: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -204.026372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.026372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.026372 (E_RNA)
where:
Base-Base interactions energy: -75.455
where: short stacking energy: -48.959
Base-Backbone interact. energy: -0.195
local terms energy: -128.376798
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: 7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -247.639999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.639999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.639999 (E_RNA)
where:
Base-Base interactions energy: -120.701
where: short stacking energy: -73.191
Base-Backbone interact. energy: -1.405
local terms energy: -125.534161
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -169.422121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.422121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.422121 (E_RNA)
where:
Base-Base interactions energy: -64.214
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.803
local terms energy: -104.404917
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: 4.143
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -674.709483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.709483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.709483 (E_RNA)
where:
Base-Base interactions energy: -448.050
where: short stacking energy: -218.186
Base-Backbone interact. energy: -0.628
local terms energy: -226.031427
where:
bonds (distance) C4'-P energy: -43.047
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -60.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -661.477505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.477505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.477505 (E_RNA)
where:
Base-Base interactions energy: -444.286
where: short stacking energy: -196.740
Base-Backbone interact. energy: -0.329
local terms energy: -216.863173
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -43.368
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -55.708
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: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -570.788586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.788586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.788586 (E_RNA)
where:
Base-Base interactions energy: -369.751
where: short stacking energy: -181.992
Base-Backbone interact. energy: 0.499
local terms energy: -201.537438
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -41.106
flat angles C4'-P-C4' energy: -43.853
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -53.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -579.881229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.881229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.881229 (E_RNA)
where:
Base-Base interactions energy: -376.207
where: short stacking energy: -177.981
Base-Backbone interact. energy: -1.796
local terms energy: -201.878626
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -29.775
tors. eta vs tors. theta energy: -59.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -508.330895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.330895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.330895 (E_RNA)
where:
Base-Base interactions energy: -330.544
where: short stacking energy: -155.323
Base-Backbone interact. energy: -0.154
local terms energy: -177.633826
where:
bonds (distance) C4'-P energy: -41.486
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -43.437
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -35.188
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -434.328926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.328926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.328926 (E_RNA)
where:
Base-Base interactions energy: -279.112
where: short stacking energy: -137.053
Base-Backbone interact. energy: -0.875
local terms energy: -154.342256
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -544.548235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.548235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.548235 (E_RNA)
where:
Base-Base interactions energy: -359.638
where: short stacking energy: -160.021
Base-Backbone interact. energy: -0.641
local terms energy: -184.268360
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -44.827
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: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -216.310765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.310765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.310765 (E_RNA)
where:
Base-Base interactions energy: -84.556
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.625
local terms energy: -131.129673
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -37.192
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: 2.640
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -213.754341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.754341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.754341 (E_RNA)
where:
Base-Base interactions energy: -68.613
where: short stacking energy: -55.468
Base-Backbone interact. energy: 0.774
local terms energy: -145.915059
where:
bonds (distance) C4'-P energy: -43.385
bonds (distance) P-C4' energy: -43.409
flat angles C4'-P-C4' energy: -34.785
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -200.621541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621541 (E_RNA)
where:
Base-Base interactions energy: -71.137
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.119
local terms energy: -129.365972
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -27.430
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -652.728980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.728980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.728980 (E_RNA)
where:
Base-Base interactions energy: -418.016
where: short stacking energy: -203.014
Base-Backbone interact. energy: -1.191
local terms energy: -233.521618
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -44.775
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -59.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -646.112505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.112505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.112505 (E_RNA)
where:
Base-Base interactions energy: -427.037
where: short stacking energy: -195.992
Base-Backbone interact. energy: -0.783
local terms energy: -218.292524
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -45.074
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -57.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -569.553830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.553830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.553830 (E_RNA)
where:
Base-Base interactions energy: -369.587
where: short stacking energy: -183.350
Base-Backbone interact. energy: -0.529
local terms energy: -199.437276
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -49.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -593.619198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.619198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.619198 (E_RNA)
where:
Base-Base interactions energy: -400.009
where: short stacking energy: -189.020
Base-Backbone interact. energy: 0.879
local terms energy: -194.488731
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -40.880
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -51.347
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: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -557.995237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.995237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.995237 (E_RNA)
where:
Base-Base interactions energy: -372.107
where: short stacking energy: -175.803
Base-Backbone interact. energy: -0.446
local terms energy: -185.441688
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -46.091
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: 29
Temperature: 1.150000
Total energy: -437.093829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.093829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.093829 (E_RNA)
where:
Base-Base interactions energy: -273.774
where: short stacking energy: -108.398
Base-Backbone interact. energy: 0.771
local terms energy: -164.090845
where:
bonds (distance) C4'-P energy: -36.591
bonds (distance) P-C4' energy: -46.455
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -483.712126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.712126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.712126 (E_RNA)
where:
Base-Base interactions energy: -302.998
where: short stacking energy: -134.955
Base-Backbone interact. energy: 0.547
local terms energy: -181.261540
where:
bonds (distance) C4'-P energy: -42.861
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -44.855
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -35.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -208.883804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.883804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.883804 (E_RNA)
where:
Base-Base interactions energy: -83.182
where: short stacking energy: -64.546
Base-Backbone interact. energy: -1.286
local terms energy: -124.415390
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -217.774409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.774409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.774409 (E_RNA)
where:
Base-Base interactions energy: -100.269
where: short stacking energy: -79.819
Base-Backbone interact. energy: 2.400
local terms energy: -119.905469
where:
bonds (distance) C4'-P energy: -37.886
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -215.825851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.825851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.825851 (E_RNA)
where:
Base-Base interactions energy: -89.939
where: short stacking energy: -53.961
Base-Backbone interact. energy: 0.296
local terms energy: -126.183000
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -46.196
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: 3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -664.249147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.249147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.249147 (E_RNA)
where:
Base-Base interactions energy: -435.627
where: short stacking energy: -197.950
Base-Backbone interact. energy: -1.421
local terms energy: -227.200884
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -57.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -627.710317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.710317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.710317 (E_RNA)
where:
Base-Base interactions energy: -406.845
where: short stacking energy: -191.368
Base-Backbone interact. energy: -0.432
local terms energy: -220.433552
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -52.370
flat angles P-C4'-P energy: -25.964
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -580.425157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.425157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.425157 (E_RNA)
where:
Base-Base interactions energy: -386.087
where: short stacking energy: -184.617
Base-Backbone interact. energy: -0.722
local terms energy: -193.616339
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -46.006
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -43.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -617.350675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.350675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.350675 (E_RNA)
where:
Base-Base interactions energy: -415.001
where: short stacking energy: -188.982
Base-Backbone interact. energy: -0.297
local terms energy: -202.052971
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -37.841
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -57.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -554.367909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.367909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.367909 (E_RNA)
where:
Base-Base interactions energy: -365.862
where: short stacking energy: -169.743
Base-Backbone interact. energy: 7.760
local terms energy: -196.266523
where:
bonds (distance) C4'-P energy: -37.529
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -39.668
flat angles P-C4'-P energy: -32.840
tors. eta vs tors. theta energy: -48.124
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: 30
Temperature: 1.150000
Total energy: -435.570878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.570878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.570878 (E_RNA)
where:
Base-Base interactions energy: -267.961
where: short stacking energy: -133.456
Base-Backbone interact. energy: 1.325
local terms energy: -168.935097
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -440.214333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.214333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.214333 (E_RNA)
where:
Base-Base interactions energy: -280.703
where: short stacking energy: -142.572
Base-Backbone interact. energy: -0.827
local terms energy: -158.684257
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -28.034
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: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -210.476216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.476216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.476216 (E_RNA)
where:
Base-Base interactions energy: -67.747
where: short stacking energy: -68.747
Base-Backbone interact. energy: -1.352
local terms energy: -141.376690
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -26.930
tors. eta vs tors. theta energy: -9.470
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -230.276702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.276702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.276702 (E_RNA)
where:
Base-Base interactions energy: -106.657
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.075
local terms energy: -123.544973
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -34.150
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -5.755
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: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -204.975363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.975363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.975363 (E_RNA)
where:
Base-Base interactions energy: -78.438
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.362
local terms energy: -126.175995
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -673.749101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.749101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.749101 (E_RNA)
where:
Base-Base interactions energy: -449.412
where: short stacking energy: -213.779
Base-Backbone interact. energy: -0.310
local terms energy: -224.027255
where:
bonds (distance) C4'-P energy: -44.646
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -47.477
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -60.603
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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -640.908028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.908028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.908028 (E_RNA)
where:
Base-Base interactions energy: -410.855
where: short stacking energy: -202.568
Base-Backbone interact. energy: -0.035
local terms energy: -230.018005
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -44.418
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -580.762290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.762290 (E_RNA)
where:
Base-Base interactions energy: -385.181
where: short stacking energy: -180.810
Base-Backbone interact. energy: 1.138
local terms energy: -196.719744
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -45.076
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -51.489
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: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -573.346405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.346405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.346405 (E_RNA)
where:
Base-Base interactions energy: -366.124
where: short stacking energy: -175.122
Base-Backbone interact. energy: -0.799
local terms energy: -206.422531
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -44.932
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -57.027
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -582.201865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.201865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.201865 (E_RNA)
where:
Base-Base interactions energy: -376.233
where: short stacking energy: -180.920
Base-Backbone interact. energy: 1.413
local terms energy: -207.382163
where:
bonds (distance) C4'-P energy: -40.286
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -440.899003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.899003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.899003 (E_RNA)
where:
Base-Base interactions energy: -267.790
where: short stacking energy: -131.550
Base-Backbone interact. energy: -0.606
local terms energy: -172.503938
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -37.761
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -31.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -453.532390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.532390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.532390 (E_RNA)
where:
Base-Base interactions energy: -281.092
where: short stacking energy: -127.094
Base-Backbone interact. energy: -0.101
local terms energy: -172.338748
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -30.474
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -250.101349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.101349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.101349 (E_RNA)
where:
Base-Base interactions energy: -108.146
where: short stacking energy: -78.563
Base-Backbone interact. energy: 1.045
local terms energy: -143.000557
where:
bonds (distance) C4'-P energy: -41.440
bonds (distance) P-C4' energy: -41.788
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -191.349515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.349515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.349515 (E_RNA)
where:
Base-Base interactions energy: -55.925
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.636
local terms energy: -134.788215
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -40.586
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -3.729
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: 31
Temperature: 1.350000
Total energy: -171.500915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.500915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.500915 (E_RNA)
where:
Base-Base interactions energy: -58.341
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.043
local terms energy: -113.116650
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -654.585809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.585809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.585809 (E_RNA)
where:
Base-Base interactions energy: -419.604
where: short stacking energy: -205.784
Base-Backbone interact. energy: -0.134
local terms energy: -234.847474
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -47.467
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -67.205
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: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -654.177348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.177348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.177348 (E_RNA)
where:
Base-Base interactions energy: -435.468
where: short stacking energy: -188.794
Base-Backbone interact. energy: -0.267
local terms energy: -218.442198
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -42.032
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -58.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -606.316523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.316523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.316523 (E_RNA)
where:
Base-Base interactions energy: -384.098
where: short stacking energy: -178.393
Base-Backbone interact. energy: -0.136
local terms energy: -222.082478
where:
bonds (distance) C4'-P energy: -43.858
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -43.713
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -58.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -565.306541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.306541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.306541 (E_RNA)
where:
Base-Base interactions energy: -357.748
where: short stacking energy: -166.224
Base-Backbone interact. energy: 0.485
local terms energy: -208.044310
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -43.158
flat angles C4'-P-C4' energy: -42.222
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -51.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -581.270214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.270214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.270214 (E_RNA)
where:
Base-Base interactions energy: -382.755
where: short stacking energy: -180.455
Base-Backbone interact. energy: -0.273
local terms energy: -198.242481
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -56.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -431.030580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.030580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.030580 (E_RNA)
where:
Base-Base interactions energy: -258.395
where: short stacking energy: -116.576
Base-Backbone interact. energy: -0.610
local terms energy: -172.025220
where:
bonds (distance) C4'-P energy: -37.683
bonds (distance) P-C4' energy: -44.472
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -24.032
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: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -455.293479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.293479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.293479 (E_RNA)
where:
Base-Base interactions energy: -279.362
where: short stacking energy: -124.569
Base-Backbone interact. energy: -0.966
local terms energy: -174.965723
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -213.531411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.531411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.531411 (E_RNA)
where:
Base-Base interactions energy: -88.495
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.820
local terms energy: -124.216681
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: 4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -197.928479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.928479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.928479 (E_RNA)
where:
Base-Base interactions energy: -74.556
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.606
local terms energy: -122.767096
where:
bonds (distance) C4'-P energy: -46.702
bonds (distance) P-C4' energy: -38.815
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: 3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -183.025767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.025767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.025767 (E_RNA)
where:
Base-Base interactions energy: -52.896
where: short stacking energy: -45.625
Base-Backbone interact. energy: -1.016
local terms energy: -129.113526
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -45.106
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: 5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -654.508145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.508145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.508145 (E_RNA)
where:
Base-Base interactions energy: -427.019
where: short stacking energy: -205.033
Base-Backbone interact. energy: -0.145
local terms energy: -227.344515
where:
bonds (distance) C4'-P energy: -42.634
bonds (distance) P-C4' energy: -42.540
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -66.040
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: 33
Temperature: 0.950000
Total energy: -665.799740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.799740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.799740 (E_RNA)
where:
Base-Base interactions energy: -439.110
where: short stacking energy: -199.893
Base-Backbone interact. energy: -0.690
local terms energy: -226.000355
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -62.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -595.514900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.514900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.514900 (E_RNA)
where:
Base-Base interactions energy: -392.771
where: short stacking energy: -191.983
Base-Backbone interact. energy: 2.496
local terms energy: -205.240438
where:
bonds (distance) C4'-P energy: -37.718
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -59.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -570.029617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.029617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.029617 (E_RNA)
where:
Base-Base interactions energy: -376.264
where: short stacking energy: -179.686
Base-Backbone interact. energy: -0.512
local terms energy: -193.253089
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -40.835
flat angles C4'-P-C4' energy: -40.664
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -43.993
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -547.336900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.336900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.336900 (E_RNA)
where:
Base-Base interactions energy: -360.464
where: short stacking energy: -159.470
Base-Backbone interact. energy: -1.403
local terms energy: -185.469671
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -43.255
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -41.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -462.861580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.861580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.861580 (E_RNA)
where:
Base-Base interactions energy: -288.383
where: short stacking energy: -133.629
Base-Backbone interact. energy: -0.832
local terms energy: -173.645832
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -28.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -449.828457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.828457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.828457 (E_RNA)
where:
Base-Base interactions energy: -266.282
where: short stacking energy: -124.660
Base-Backbone interact. energy: -1.276
local terms energy: -182.270844
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -45.551
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -32.501
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: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -232.997186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.997186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.997186 (E_RNA)
where:
Base-Base interactions energy: -98.112
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.592
local terms energy: -134.293126
where:
bonds (distance) C4'-P energy: -28.244
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -39.003
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -191.979028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.979028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.979028 (E_RNA)
where:
Base-Base interactions energy: -67.351
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.318
local terms energy: -124.310551
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -40.841
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -200.434471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.434471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.434471 (E_RNA)
where:
Base-Base interactions energy: -86.879
where: short stacking energy: -49.520
Base-Backbone interact. energy: 0.211
local terms energy: -113.765874
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: 10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -676.416912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.416912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.416912 (E_RNA)
where:
Base-Base interactions energy: -434.664
where: short stacking energy: -199.197
Base-Backbone interact. energy: -0.550
local terms energy: -241.203089
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -35.200
tors. eta vs tors. theta energy: -60.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -637.989574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.989574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.989574 (E_RNA)
where:
Base-Base interactions energy: -413.734
where: short stacking energy: -202.868
Base-Backbone interact. energy: 1.718
local terms energy: -225.973857
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -43.569
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -58.680
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -596.601411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.601411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.601411 (E_RNA)
where:
Base-Base interactions energy: -394.989
where: short stacking energy: -193.050
Base-Backbone interact. energy: -0.209
local terms energy: -201.403646
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -28.683
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: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -558.885901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.885901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.885901 (E_RNA)
where:
Base-Base interactions energy: -354.133
where: short stacking energy: -157.058
Base-Backbone interact. energy: -0.440
local terms energy: -204.312565
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -41.310
flat angles C4'-P-C4' energy: -47.429
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -50.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -573.047387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.047387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.047387 (E_RNA)
where:
Base-Base interactions energy: -373.531
where: short stacking energy: -168.843
Base-Backbone interact. energy: 2.366
local terms energy: -201.882318
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -39.828
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -48.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -446.920025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.920025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.920025 (E_RNA)
where:
Base-Base interactions energy: -262.515
where: short stacking energy: -137.196
Base-Backbone interact. energy: -0.200
local terms energy: -184.205213
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -27.355
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -33.322
tors. eta vs tors. theta energy: -38.422
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -444.797580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.797580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.797580 (E_RNA)
where:
Base-Base interactions energy: -283.216
where: short stacking energy: -125.669
Base-Backbone interact. energy: -0.487
local terms energy: -161.094709
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -41.716
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -22.079
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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -229.203832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.203832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.203832 (E_RNA)
where:
Base-Base interactions energy: -100.571
where: short stacking energy: -95.837
Base-Backbone interact. energy: 2.249
local terms energy: -130.881739
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -195.858649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858649 (E_RNA)
where:
Base-Base interactions energy: -84.890
where: short stacking energy: -49.581
Base-Backbone interact. energy: 0.530
local terms energy: -111.498500
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: 11.847
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: 34
Temperature: 1.350000
Total energy: -195.767240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767240 (E_RNA)
where:
Base-Base interactions energy: -66.567
where: short stacking energy: -64.585
Base-Backbone interact. energy: 4.026
local terms energy: -133.225755
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -666.599888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.599888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.599888 (E_RNA)
where:
Base-Base interactions energy: -449.919
where: short stacking energy: -203.399
Base-Backbone interact. energy: 0.144
local terms energy: -216.824790
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -61.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -625.674272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.674272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.674272 (E_RNA)
where:
Base-Base interactions energy: -406.185
where: short stacking energy: -187.229
Base-Backbone interact. energy: -1.622
local terms energy: -217.867540
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -42.588
flat angles P-C4'-P energy: -31.751
tors. eta vs tors. theta energy: -58.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -632.527834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.527834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.527834 (E_RNA)
where:
Base-Base interactions energy: -412.317
where: short stacking energy: -191.865
Base-Backbone interact. energy: -0.103
local terms energy: -220.107676
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -42.025
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -62.759
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -561.308390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.308390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.308390 (E_RNA)
where:
Base-Base interactions energy: -366.699
where: short stacking energy: -166.364
Base-Backbone interact. energy: -0.307
local terms energy: -194.302458
where:
bonds (distance) C4'-P energy: -40.313
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -45.271
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -581.212365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.212365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.212365 (E_RNA)
where:
Base-Base interactions energy: -365.053
where: short stacking energy: -170.007
Base-Backbone interact. energy: -0.067
local terms energy: -216.092157
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -55.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -469.490185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.490185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.490185 (E_RNA)
where:
Base-Base interactions energy: -284.658
where: short stacking energy: -135.225
Base-Backbone interact. energy: -0.226
local terms energy: -184.606053
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -40.079
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -37.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -428.483635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.483635 (E_RNA)
where:
Base-Base interactions energy: -270.602
where: short stacking energy: -130.725
Base-Backbone interact. energy: 0.317
local terms energy: -158.198566
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -33.621
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -254.066328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.066328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.066328 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -81.263
Base-Backbone interact. energy: -0.699
local terms energy: -131.587350
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -37.253
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -223.641426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.641426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.641426 (E_RNA)
where:
Base-Base interactions energy: -89.464
where: short stacking energy: -47.460
Base-Backbone interact. energy: -1.141
local terms energy: -133.036221
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -186.818212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.818212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.818212 (E_RNA)
where:
Base-Base interactions energy: -75.622
where: short stacking energy: -54.608
Base-Backbone interact. energy: 2.695
local terms energy: -113.890412
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -645.662056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.662056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.662056 (E_RNA)
where:
Base-Base interactions energy: -427.730
where: short stacking energy: -197.177
Base-Backbone interact. energy: -1.061
local terms energy: -216.871169
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -39.005
flat angles C4'-P-C4' energy: -46.751
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -58.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -633.841904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.841904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.841904 (E_RNA)
where:
Base-Base interactions energy: -418.795
where: short stacking energy: -195.244
Base-Backbone interact. energy: -0.361
local terms energy: -214.685826
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -60.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -627.393703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.393703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.393703 (E_RNA)
where:
Base-Base interactions energy: -401.313
where: short stacking energy: -190.567
Base-Backbone interact. energy: -0.658
local terms energy: -225.423340
where:
bonds (distance) C4'-P energy: -38.639
bonds (distance) P-C4' energy: -43.576
flat angles C4'-P-C4' energy: -46.941
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -65.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -573.160308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.160308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.160308 (E_RNA)
where:
Base-Base interactions energy: -362.882
where: short stacking energy: -173.377
Base-Backbone interact. energy: -0.459
local terms energy: -209.818514
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -38.992
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -36.078
tors. eta vs tors. theta energy: -48.276
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -581.785974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.785974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.785974 (E_RNA)
where:
Base-Base interactions energy: -372.127
where: short stacking energy: -171.297
Base-Backbone interact. energy: 0.343
local terms energy: -210.001841
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -36.424
flat angles C4'-P-C4' energy: -45.940
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -54.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -464.842239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.842239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.842239 (E_RNA)
where:
Base-Base interactions energy: -286.186
where: short stacking energy: -137.911
Base-Backbone interact. energy: 2.392
local terms energy: -181.048711
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -41.721
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -32.852
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: 36
Temperature: 1.200000
Total energy: -381.064357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.064357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.064357 (E_RNA)
where:
Base-Base interactions energy: -231.660
where: short stacking energy: -108.892
Base-Backbone interact. energy: -1.152
local terms energy: -148.252747
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -243.482030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.482030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.482030 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -60.146
Base-Backbone interact. energy: 2.072
local terms energy: -124.322837
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: 3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -193.551057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551057 (E_RNA)
where:
Base-Base interactions energy: -77.315
where: short stacking energy: -58.947
Base-Backbone interact. energy: 1.092
local terms energy: -117.327897
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: 4.249
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: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -193.594305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.594305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.594305 (E_RNA)
where:
Base-Base interactions energy: -73.864
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.988
local terms energy: -118.742569
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -22.354
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -642.981322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.981322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.981322 (E_RNA)
where:
Base-Base interactions energy: -430.976
where: short stacking energy: -186.482
Base-Backbone interact. energy: 0.613
local terms energy: -212.618434
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -44.573
flat angles P-C4'-P energy: -34.708
tors. eta vs tors. theta energy: -57.214
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -635.428476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.428476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.428476 (E_RNA)
where:
Base-Base interactions energy: -399.802
where: short stacking energy: -200.097
Base-Backbone interact. energy: 0.092
local terms energy: -235.718593
where:
bonds (distance) C4'-P energy: -44.849
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -49.412
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -65.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -619.289314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.289314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.289314 (E_RNA)
where:
Base-Base interactions energy: -420.582
where: short stacking energy: -186.030
Base-Backbone interact. energy: -0.282
local terms energy: -198.425342
where:
bonds (distance) C4'-P energy: -42.142
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -40.270
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -50.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -579.322046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.322046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.322046 (E_RNA)
where:
Base-Base interactions energy: -386.560
where: short stacking energy: -177.176
Base-Backbone interact. energy: -1.077
local terms energy: -191.685616
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -50.909
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: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -518.784914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.784914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.784914 (E_RNA)
where:
Base-Base interactions energy: -336.017
where: short stacking energy: -148.681
Base-Backbone interact. energy: -0.611
local terms energy: -182.157143
where:
bonds (distance) C4'-P energy: -42.670
bonds (distance) P-C4' energy: -43.735
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -42.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -441.883382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.883382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.883382 (E_RNA)
where:
Base-Base interactions energy: -256.865
where: short stacking energy: -110.622
Base-Backbone interact. energy: -0.259
local terms energy: -184.758851
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -45.889
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -23.654
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: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -369.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.266447 (E_RNA)
where:
Base-Base interactions energy: -230.189
where: short stacking energy: -97.879
Base-Backbone interact. energy: 0.003
local terms energy: -139.080285
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -31.674
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -223.296621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.296621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.296621 (E_RNA)
where:
Base-Base interactions energy: -93.287
where: short stacking energy: -64.528
Base-Backbone interact. energy: 3.873
local terms energy: -133.882849
where:
bonds (distance) C4'-P energy: -40.233
bonds (distance) P-C4' energy: -39.722
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -4.497
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -273.442551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.442551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.442551 (E_RNA)
where:
Base-Base interactions energy: -137.897
where: short stacking energy: -90.564
Base-Backbone interact. energy: 2.086
local terms energy: -137.632345
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -193.944782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944782 (E_RNA)
where:
Base-Base interactions energy: -73.981
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.584
local terms energy: -119.380616
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -35.491
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: 9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -650.355100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.355100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.355100 (E_RNA)
where:
Base-Base interactions energy: -430.122
where: short stacking energy: -206.689
Base-Backbone interact. energy: -0.821
local terms energy: -219.411439
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -58.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -633.781446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.781446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.781446 (E_RNA)
where:
Base-Base interactions energy: -418.083
where: short stacking energy: -194.319
Base-Backbone interact. energy: -0.569
local terms energy: -215.129226
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -41.518
flat angles C4'-P-C4' energy: -47.131
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -63.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -629.791378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.791378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.791378 (E_RNA)
where:
Base-Base interactions energy: -420.031
where: short stacking energy: -176.993
Base-Backbone interact. energy: -0.393
local terms energy: -209.367206
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -49.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -568.231610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.231610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.231610 (E_RNA)
where:
Base-Base interactions energy: -377.196
where: short stacking energy: -154.396
Base-Backbone interact. energy: -0.221
local terms energy: -190.815092
where:
bonds (distance) C4'-P energy: -41.735
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -39.620
flat angles P-C4'-P energy: -28.019
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: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -498.937456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.937456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.937456 (E_RNA)
where:
Base-Base interactions energy: -316.870
where: short stacking energy: -153.096
Base-Backbone interact. energy: -0.338
local terms energy: -181.729401
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -36.301
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -37.353
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: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -465.381911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.381911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.381911 (E_RNA)
where:
Base-Base interactions energy: -307.496
where: short stacking energy: -142.135
Base-Backbone interact. energy: 0.036
local terms energy: -157.922739
where:
bonds (distance) C4'-P energy: -38.457
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -365.529880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.529880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.529880 (E_RNA)
where:
Base-Base interactions energy: -219.818
where: short stacking energy: -110.459
Base-Backbone interact. energy: -0.141
local terms energy: -145.570785
where:
bonds (distance) C4'-P energy: -33.439
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -42.986
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -220.179350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179350 (E_RNA)
where:
Base-Base interactions energy: -78.539
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.758
local terms energy: -140.882196
where:
bonds (distance) C4'-P energy: -35.399
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -8.697
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -254.271133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.271133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.271133 (E_RNA)
where:
Base-Base interactions energy: -120.246
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.710
local terms energy: -133.315720
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -199.858480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.858480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.858480 (E_RNA)
where:
Base-Base interactions energy: -68.906
where: short stacking energy: -44.232
Base-Backbone interact. energy: -1.569
local terms energy: -129.383147
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -42.630
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: 4.590
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -650.358195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.358195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.358195 (E_RNA)
where:
Base-Base interactions energy: -430.653
where: short stacking energy: -206.062
Base-Backbone interact. energy: -0.207
local terms energy: -219.497978
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -59.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -650.834045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.834045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.834045 (E_RNA)
where:
Base-Base interactions energy: -432.377
where: short stacking energy: -197.886
Base-Backbone interact. energy: -0.995
local terms energy: -217.461481
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -49.359
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -59.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -635.669811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.669811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.669811 (E_RNA)
where:
Base-Base interactions energy: -431.319
where: short stacking energy: -193.948
Base-Backbone interact. energy: -0.260
local terms energy: -204.091190
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -39.734
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -53.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -585.197696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.197696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.197696 (E_RNA)
where:
Base-Base interactions energy: -391.537
where: short stacking energy: -174.868
Base-Backbone interact. energy: -0.213
local terms energy: -193.447341
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -50.741
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: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -478.637698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.637698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.637698 (E_RNA)
where:
Base-Base interactions energy: -294.473
where: short stacking energy: -134.159
Base-Backbone interact. energy: -0.600
local terms energy: -183.564955
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -42.149
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -37.046
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -472.868678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.868678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.868678 (E_RNA)
where:
Base-Base interactions energy: -295.358
where: short stacking energy: -128.625
Base-Backbone interact. energy: -0.860
local terms energy: -176.651053
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -371.386556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.386556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.386556 (E_RNA)
where:
Base-Base interactions energy: -206.501
where: short stacking energy: -98.327
Base-Backbone interact. energy: 0.790
local terms energy: -165.675093
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -258.544909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.544909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.544909 (E_RNA)
where:
Base-Base interactions energy: -121.238
where: short stacking energy: -71.820
Base-Backbone interact. energy: -1.732
local terms energy: -135.574592
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -25.909
tors. eta vs tors. theta energy: -2.188
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: 39
Temperature: 1.300000
Total energy: -201.579295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.579295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.579295 (E_RNA)
where:
Base-Base interactions energy: -78.043
where: short stacking energy: -59.941
Base-Backbone interact. energy: 0.151
local terms energy: -123.686866
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -191.346959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.346959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346959 (E_RNA)
where:
Base-Base interactions energy: -65.181
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.504
local terms energy: -125.661367
where:
bonds (distance) C4'-P energy: -38.058
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: 5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -644.939480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.939480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.939480 (E_RNA)
where:
Base-Base interactions energy: -407.448
where: short stacking energy: -200.823
Base-Backbone interact. energy: -0.068
local terms energy: -237.423876
where:
bonds (distance) C4'-P energy: -46.907
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -29.995
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: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -643.974528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.974528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.974528 (E_RNA)
where:
Base-Base interactions energy: -426.128
where: short stacking energy: -188.974
Base-Backbone interact. energy: -0.198
local terms energy: -217.648587
where:
bonds (distance) C4'-P energy: -38.074
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -53.814
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -643.212495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.212495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.212495 (E_RNA)
where:
Base-Base interactions energy: -422.886
where: short stacking energy: -196.975
Base-Backbone interact. energy: -0.538
local terms energy: -219.788161
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -59.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -592.673062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.673062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.673062 (E_RNA)
where:
Base-Base interactions energy: -376.984
where: short stacking energy: -182.105
Base-Backbone interact. energy: 0.483
local terms energy: -216.172250
where:
bonds (distance) C4'-P energy: -42.261
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -50.262
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -523.870218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.870218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.870218 (E_RNA)
where:
Base-Base interactions energy: -322.028
where: short stacking energy: -159.935
Base-Backbone interact. energy: -1.307
local terms energy: -200.535123
where:
bonds (distance) C4'-P energy: -42.960
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -48.143
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: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -457.541133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.541133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.541133 (E_RNA)
where:
Base-Base interactions energy: -296.049
where: short stacking energy: -135.643
Base-Backbone interact. energy: -2.314
local terms energy: -159.178344
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -38.083
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -385.628673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.628673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.628673 (E_RNA)
where:
Base-Base interactions energy: -213.621
where: short stacking energy: -123.350
Base-Backbone interact. energy: -0.872
local terms energy: -171.135755
where:
bonds (distance) C4'-P energy: -41.945
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -254.063019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.063019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.063019 (E_RNA)
where:
Base-Base interactions energy: -126.347
where: short stacking energy: -82.801
Base-Backbone interact. energy: 1.465
local terms energy: -129.181425
where:
bonds (distance) C4'-P energy: -40.138
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -221.583054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.583054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.583054 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -55.905
Base-Backbone interact. energy: 0.953
local terms energy: -121.802689
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -35.242
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -189.676362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.676362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676362 (E_RNA)
where:
Base-Base interactions energy: -66.204
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.576
local terms energy: -122.897077
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -654.860629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.860629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.860629 (E_RNA)
where:
Base-Base interactions energy: -419.051
where: short stacking energy: -208.698
Base-Backbone interact. energy: -0.173
local terms energy: -235.636645
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -58.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -680.551536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.551536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.551536 (E_RNA)
where:
Base-Base interactions energy: -455.219
where: short stacking energy: -221.679
Base-Backbone interact. energy: -0.045
local terms energy: -225.288004
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -67.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -632.378888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.378888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.378888 (E_RNA)
where:
Base-Base interactions energy: -425.682
where: short stacking energy: -201.737
Base-Backbone interact. energy: 1.369
local terms energy: -208.065829
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -48.689
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -53.196
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: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -609.569560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.569560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.569560 (E_RNA)
where:
Base-Base interactions energy: -386.615
where: short stacking energy: -189.206
Base-Backbone interact. energy: -0.117
local terms energy: -222.837209
where:
bonds (distance) C4'-P energy: -43.948
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -57.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -504.552476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.552476 (E_RNA)
where:
Base-Base interactions energy: -311.284
where: short stacking energy: -155.130
Base-Backbone interact. energy: -0.311
local terms energy: -192.957414
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -21.631
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: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -463.516532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.516532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.516532 (E_RNA)
where:
Base-Base interactions energy: -285.881
where: short stacking energy: -134.632
Base-Backbone interact. energy: 0.037
local terms energy: -177.672271
where:
bonds (distance) C4'-P energy: -41.191
bonds (distance) P-C4' energy: -43.715
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -400.342021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.342021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.342021 (E_RNA)
where:
Base-Base interactions energy: -250.528
where: short stacking energy: -109.880
Base-Backbone interact. energy: 0.158
local terms energy: -149.971611
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -256.106544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.106544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.106544 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -77.374
Base-Backbone interact. energy: 2.588
local terms energy: -135.165563
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -200.837469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.837469 (E_RNA)
where:
Base-Base interactions energy: -64.211
where: short stacking energy: -52.451
Base-Backbone interact. energy: -0.738
local terms energy: -135.888925
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -44.063
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -180.571280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.571280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.571280 (E_RNA)
where:
Base-Base interactions energy: -51.840
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.483
local terms energy: -128.248536
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -718.498754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.498754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.498754 (E_RNA)
where:
Base-Base interactions energy: -473.282
where: short stacking energy: -219.304
Base-Backbone interact. energy: -0.657
local terms energy: -244.560488
where:
bonds (distance) C4'-P energy: -41.726
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -48.700
flat angles P-C4'-P energy: -35.253
tors. eta vs tors. theta energy: -74.771
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: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -630.550772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.550772 (E_RNA)
where:
Base-Base interactions energy: -400.544
where: short stacking energy: -203.612
Base-Backbone interact. energy: -0.346
local terms energy: -229.660414
where:
bonds (distance) C4'-P energy: -42.745
bonds (distance) P-C4' energy: -40.288
flat angles C4'-P-C4' energy: -53.112
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -63.239
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: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -651.417093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.417093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.417093 (E_RNA)
where:
Base-Base interactions energy: -433.019
where: short stacking energy: -197.667
Base-Backbone interact. energy: -0.720
local terms energy: -217.678425
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -59.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -611.418927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.418927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.418927 (E_RNA)
where:
Base-Base interactions energy: -389.719
where: short stacking energy: -192.368
Base-Backbone interact. energy: -0.372
local terms energy: -221.328866
where:
bonds (distance) C4'-P energy: -41.870
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -48.256
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -60.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -445.386285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.386285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.386285 (E_RNA)
where:
Base-Base interactions energy: -267.135
where: short stacking energy: -128.839
Base-Backbone interact. energy: -0.669
local terms energy: -177.582251
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -26.242
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -479.227992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.227992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.227992 (E_RNA)
where:
Base-Base interactions energy: -278.403
where: short stacking energy: -153.063
Base-Backbone interact. energy: 0.095
local terms energy: -200.919638
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -39.972
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -432.027987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.027987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.027987 (E_RNA)
where:
Base-Base interactions energy: -267.307
where: short stacking energy: -114.060
Base-Backbone interact. energy: 1.294
local terms energy: -166.015740
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -45.799
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -279.768078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.768078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.768078 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -80.273
Base-Backbone interact. energy: -0.707
local terms energy: -131.448915
where:
bonds (distance) C4'-P energy: -37.971
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: 4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -205.335463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.335463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335463 (E_RNA)
where:
Base-Base interactions energy: -82.965
where: short stacking energy: -77.649
Base-Backbone interact. energy: -0.426
local terms energy: -121.943633
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -38.517
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -195.300998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.300998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.300998 (E_RNA)
where:
Base-Base interactions energy: -65.277
where: short stacking energy: -45.079
Base-Backbone interact. energy: 0.593
local terms energy: -130.616400
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: 7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -721.153192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.153192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.153192 (E_RNA)
where:
Base-Base interactions energy: -486.691
where: short stacking energy: -237.942
Base-Backbone interact. energy: 0.021
local terms energy: -234.482862
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -45.745
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -74.545
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: 43
Temperature: 0.950000
Total energy: -656.060136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.060136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.060136 (E_RNA)
where:
Base-Base interactions energy: -432.408
where: short stacking energy: -200.491
Base-Backbone interact. energy: -0.067
local terms energy: -223.585296
where:
bonds (distance) C4'-P energy: -41.459
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -61.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -625.973909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.973909 (E_RNA)
where:
Base-Base interactions energy: -419.160
where: short stacking energy: -214.008
Base-Backbone interact. energy: -0.397
local terms energy: -206.416315
where:
bonds (distance) C4'-P energy: -37.896
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -62.726
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: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -609.777193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.777193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.777193 (E_RNA)
where:
Base-Base interactions energy: -395.477
where: short stacking energy: -180.131
Base-Backbone interact. energy: -1.263
local terms energy: -213.037169
where:
bonds (distance) C4'-P energy: -34.937
bonds (distance) P-C4' energy: -42.993
flat angles C4'-P-C4' energy: -47.797
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -55.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -470.923254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.923254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.923254 (E_RNA)
where:
Base-Base interactions energy: -292.408
where: short stacking energy: -135.121
Base-Backbone interact. energy: -1.361
local terms energy: -177.154858
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -44.047
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -32.039
tors. eta vs tors. theta energy: -34.661
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: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -426.204914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.204914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.204914 (E_RNA)
where:
Base-Base interactions energy: -269.725
where: short stacking energy: -137.041
Base-Backbone interact. energy: -0.186
local terms energy: -156.293318
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -28.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -472.979045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.979045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.979045 (E_RNA)
where:
Base-Base interactions energy: -310.068
where: short stacking energy: -144.887
Base-Backbone interact. energy: 1.704
local terms energy: -164.614694
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -36.203
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -265.660766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.660766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660766 (E_RNA)
where:
Base-Base interactions energy: -109.503
where: short stacking energy: -82.066
Base-Backbone interact. energy: 5.142
local terms energy: -161.299901
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -192.876111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876111 (E_RNA)
where:
Base-Base interactions energy: -80.605
where: short stacking energy: -72.434
Base-Backbone interact. energy: 1.289
local terms energy: -113.560357
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -202.201062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201062 (E_RNA)
where:
Base-Base interactions energy: -72.024
where: short stacking energy: -66.912
Base-Backbone interact. energy: 1.261
local terms energy: -131.438740
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -712.466861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.466861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.466861 (E_RNA)
where:
Base-Base interactions energy: -476.049
where: short stacking energy: -205.831
Base-Backbone interact. energy: -1.754
local terms energy: -234.664411
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -42.384
flat angles C4'-P-C4' energy: -47.403
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -70.745
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -662.646115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.646115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.646115 (E_RNA)
where:
Base-Base interactions energy: -437.784
where: short stacking energy: -200.381
Base-Backbone interact. energy: -0.232
local terms energy: -224.630554
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -43.597
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -613.798909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.798909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.798909 (E_RNA)
where:
Base-Base interactions energy: -397.257
where: short stacking energy: -194.286
Base-Backbone interact. energy: -1.250
local terms energy: -215.291865
where:
bonds (distance) C4'-P energy: -38.319
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -30.137
tors. eta vs tors. theta energy: -57.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -612.594901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.594901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.594901 (E_RNA)
where:
Base-Base interactions energy: -408.880
where: short stacking energy: -187.724
Base-Backbone interact. energy: -0.916
local terms energy: -202.799294
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -46.567
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -58.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -470.871054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.871054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.871054 (E_RNA)
where:
Base-Base interactions energy: -308.660
where: short stacking energy: -142.245
Base-Backbone interact. energy: -1.253
local terms energy: -160.957134
where:
bonds (distance) C4'-P energy: -39.499
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -41.885
flat angles P-C4'-P energy: -28.290
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: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -447.806725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.806725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.806725 (E_RNA)
where:
Base-Base interactions energy: -270.391
where: short stacking energy: -135.128
Base-Backbone interact. energy: -2.098
local terms energy: -175.317901
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -36.220
tors. eta vs tors. theta energy: -37.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -433.277053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.277053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.277053 (E_RNA)
where:
Base-Base interactions energy: -257.880
where: short stacking energy: -128.967
Base-Backbone interact. energy: -0.197
local terms energy: -175.200232
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -45.705
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -32.521
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: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -275.975064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.975064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.975064 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -75.332
Base-Backbone interact. energy: -1.271
local terms energy: -140.985650
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -42.851
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -205.165175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.165175 (E_RNA)
where:
Base-Base interactions energy: -65.169
where: short stacking energy: -64.248
Base-Backbone interact. energy: 0.294
local terms energy: -140.290880
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -200.153710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.153710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.153710 (E_RNA)
where:
Base-Base interactions energy: -88.036
where: short stacking energy: -50.048
Base-Backbone interact. energy: -0.430
local terms energy: -111.687985
where:
bonds (distance) C4'-P energy: -33.706
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: 3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -699.293011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.293011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.293011 (E_RNA)
where:
Base-Base interactions energy: -467.367
where: short stacking energy: -206.011
Base-Backbone interact. energy: 0.457
local terms energy: -232.383569
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -41.754
flat angles C4'-P-C4' energy: -45.685
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: -67.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -625.252368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.252368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.252368 (E_RNA)
where:
Base-Base interactions energy: -398.348
where: short stacking energy: -195.969
Base-Backbone interact. energy: -0.232
local terms energy: -226.672165
where:
bonds (distance) C4'-P energy: -44.265
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -65.722
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -636.548506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.548506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.548506 (E_RNA)
where:
Base-Base interactions energy: -429.243
where: short stacking energy: -197.460
Base-Backbone interact. energy: -0.739
local terms energy: -206.565948
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -43.013
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -61.935
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -605.396257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.396257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.396257 (E_RNA)
where:
Base-Base interactions energy: -399.322
where: short stacking energy: -183.792
Base-Backbone interact. energy: -0.435
local terms energy: -205.639008
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -47.458
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -59.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -472.597012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.597012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.597012 (E_RNA)
where:
Base-Base interactions energy: -297.489
where: short stacking energy: -129.126
Base-Backbone interact. energy: -1.646
local terms energy: -173.461322
where:
bonds (distance) C4'-P energy: -42.843
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -437.910650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.910650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.910650 (E_RNA)
where:
Base-Base interactions energy: -283.838
where: short stacking energy: -146.915
Base-Backbone interact. energy: 0.605
local terms energy: -154.677212
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -34.841
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -397.395020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.395020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.395020 (E_RNA)
where:
Base-Base interactions energy: -228.658
where: short stacking energy: -127.583
Base-Backbone interact. energy: -0.524
local terms energy: -168.213592
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -28.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -315.462136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.462136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.462136 (E_RNA)
where:
Base-Base interactions energy: -173.194
where: short stacking energy: -87.624
Base-Backbone interact. energy: 1.293
local terms energy: -143.560423
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -40.976
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -189.111524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.111524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.111524 (E_RNA)
where:
Base-Base interactions energy: -58.394
where: short stacking energy: -58.824
Base-Backbone interact. energy: -1.691
local terms energy: -129.026199
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: 3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -188.468020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.468020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468020 (E_RNA)
where:
Base-Base interactions energy: -68.761
where: short stacking energy: -61.336
Base-Backbone interact. energy: 2.797
local terms energy: -122.503560
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: 2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -720.828669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.828669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.828669 (E_RNA)
where:
Base-Base interactions energy: -491.280
where: short stacking energy: -227.742
Base-Backbone interact. energy: -0.209
local terms energy: -229.340037
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -639.584439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.584439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.584439 (E_RNA)
where:
Base-Base interactions energy: -415.430
where: short stacking energy: -196.754
Base-Backbone interact. energy: -0.362
local terms energy: -223.792747
where:
bonds (distance) C4'-P energy: -48.663
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -62.806
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: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -644.027365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.027365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.027365 (E_RNA)
where:
Base-Base interactions energy: -420.908
where: short stacking energy: -194.491
Base-Backbone interact. energy: -0.729
local terms energy: -222.390590
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -59.709
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -605.421089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.421089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.421089 (E_RNA)
where:
Base-Base interactions energy: -397.031
where: short stacking energy: -190.624
Base-Backbone interact. energy: -0.968
local terms energy: -207.421872
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -41.396
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -54.211
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: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -485.632304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.632304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.632304 (E_RNA)
where:
Base-Base interactions energy: -301.529
where: short stacking energy: -155.316
Base-Backbone interact. energy: -0.407
local terms energy: -183.696155
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -40.787
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -458.032139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.032139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.032139 (E_RNA)
where:
Base-Base interactions energy: -276.670
where: short stacking energy: -132.488
Base-Backbone interact. energy: -0.280
local terms energy: -181.082531
where:
bonds (distance) C4'-P energy: -41.040
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -40.021
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -307.457486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.457486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.457486 (E_RNA)
where:
Base-Base interactions energy: -166.894
where: short stacking energy: -83.048
Base-Backbone interact. energy: -0.847
local terms energy: -139.716630
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -43.196
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -340.634670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.634670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.634670 (E_RNA)
where:
Base-Base interactions energy: -197.493
where: short stacking energy: -81.358
Base-Backbone interact. energy: -1.373
local terms energy: -141.768868
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -222.839726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.839726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.839726 (E_RNA)
where:
Base-Base interactions energy: -89.234
where: short stacking energy: -87.061
Base-Backbone interact. energy: 1.759
local terms energy: -135.364805
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -188.118235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.118235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.118235 (E_RNA)
where:
Base-Base interactions energy: -56.275
where: short stacking energy: -48.665
Base-Backbone interact. energy: 0.151
local terms energy: -131.994544
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -705.604817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.604817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.604817 (E_RNA)
where:
Base-Base interactions energy: -468.260
where: short stacking energy: -206.985
Base-Backbone interact. energy: -0.396
local terms energy: -236.949167
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: -72.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -667.688039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.688039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.688039 (E_RNA)
where:
Base-Base interactions energy: -435.833
where: short stacking energy: -196.481
Base-Backbone interact. energy: -0.068
local terms energy: -231.786403
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -62.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -613.283254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.283254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.283254 (E_RNA)
where:
Base-Base interactions energy: -413.122
where: short stacking energy: -185.389
Base-Backbone interact. energy: -0.515
local terms energy: -199.645657
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -44.621
flat angles P-C4'-P energy: -30.616
tors. eta vs tors. theta energy: -54.553
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: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -583.821997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.821997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.821997 (E_RNA)
where:
Base-Base interactions energy: -384.494
where: short stacking energy: -176.676
Base-Backbone interact. energy: -0.345
local terms energy: -198.983505
where:
bonds (distance) C4'-P energy: -38.638
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -36.551
tors. eta vs tors. theta energy: -53.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -499.292151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.292151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.292151 (E_RNA)
where:
Base-Base interactions energy: -294.382
where: short stacking energy: -145.991
Base-Backbone interact. energy: -1.265
local terms energy: -203.644727
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -51.146
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -47.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -437.092024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.092024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.092024 (E_RNA)
where:
Base-Base interactions energy: -266.762
where: short stacking energy: -123.693
Base-Backbone interact. energy: 0.462
local terms energy: -170.792045
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -24.628
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: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -343.388201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.388201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.388201 (E_RNA)
where:
Base-Base interactions energy: -203.464
where: short stacking energy: -98.580
Base-Backbone interact. energy: -0.714
local terms energy: -139.210341
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -11.951
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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -348.169018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.169018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.169018 (E_RNA)
where:
Base-Base interactions energy: -184.598
where: short stacking energy: -96.685
Base-Backbone interact. energy: -0.566
local terms energy: -163.005443
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -17.426
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: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -205.672307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.672307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.672307 (E_RNA)
where:
Base-Base interactions energy: -71.804
where: short stacking energy: -66.181
Base-Backbone interact. energy: 1.914
local terms energy: -135.781625
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -36.228
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -188.040247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.040247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.040247 (E_RNA)
where:
Base-Base interactions energy: -79.787
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.288
local terms energy: -107.964824
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: 6.958
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -724.825392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.825392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.825392 (E_RNA)
where:
Base-Base interactions energy: -489.297
where: short stacking energy: -221.016
Base-Backbone interact. energy: -0.003
local terms energy: -235.525734
where:
bonds (distance) C4'-P energy: -39.373
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -47.563
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -71.325
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: 48
Temperature: 0.950000
Total energy: -661.048582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.048582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.048582 (E_RNA)
where:
Base-Base interactions energy: -431.900
where: short stacking energy: -206.321
Base-Backbone interact. energy: -0.430
local terms energy: -228.718372
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -34.604
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -64.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -621.277853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.277853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.277853 (E_RNA)
where:
Base-Base interactions energy: -404.507
where: short stacking energy: -190.563
Base-Backbone interact. energy: -0.670
local terms energy: -216.100549
where:
bonds (distance) C4'-P energy: -40.033
bonds (distance) P-C4' energy: -38.938
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -55.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -602.641165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.641165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.641165 (E_RNA)
where:
Base-Base interactions energy: -403.876
where: short stacking energy: -190.319
Base-Backbone interact. energy: -0.141
local terms energy: -198.623922
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -54.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -511.863764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.863764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.863764 (E_RNA)
where:
Base-Base interactions energy: -326.441
where: short stacking energy: -154.880
Base-Backbone interact. energy: -0.930
local terms energy: -184.491951
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -42.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -451.454331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.454331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.454331 (E_RNA)
where:
Base-Base interactions energy: -301.383
where: short stacking energy: -158.202
Base-Backbone interact. energy: -0.160
local terms energy: -149.910939
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -35.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -311.398126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.398126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.398126 (E_RNA)
where:
Base-Base interactions energy: -161.244
where: short stacking energy: -82.117
Base-Backbone interact. energy: -0.076
local terms energy: -150.078132
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -46.310
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -20.700
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -329.152165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.152165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.152165 (E_RNA)
where:
Base-Base interactions energy: -186.725
where: short stacking energy: -99.292
Base-Backbone interact. energy: -0.355
local terms energy: -142.071607
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -193.796700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.796700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.796700 (E_RNA)
where:
Base-Base interactions energy: -64.398
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.353
local terms energy: -129.046132
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -39.421
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -1.860
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: 48
Temperature: 1.350000
Total energy: -192.214774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.214774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.214774 (E_RNA)
where:
Base-Base interactions energy: -60.242
where: short stacking energy: -55.376
Base-Backbone interact. energy: 0.251
local terms energy: -132.223851
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -720.285545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.285545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.285545 (E_RNA)
where:
Base-Base interactions energy: -476.292
where: short stacking energy: -214.896
Base-Backbone interact. energy: -1.029
local terms energy: -242.964428
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -45.985
flat angles C4'-P-C4' energy: -50.641
flat angles P-C4'-P energy: -32.884
tors. eta vs tors. theta energy: -70.398
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -652.806753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.806753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.806753 (E_RNA)
where:
Base-Base interactions energy: -440.914
where: short stacking energy: -205.561
Base-Backbone interact. energy: -0.591
local terms energy: -211.302219
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -27.194
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: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -630.199657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.199657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.199657 (E_RNA)
where:
Base-Base interactions energy: -420.299
where: short stacking energy: -195.198
Base-Backbone interact. energy: -0.203
local terms energy: -209.697932
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: -55.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -574.859612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.859612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.859612 (E_RNA)
where:
Base-Base interactions energy: -365.651
where: short stacking energy: -165.681
Base-Backbone interact. energy: -0.074
local terms energy: -209.134719
where:
bonds (distance) C4'-P energy: -42.743
bonds (distance) P-C4' energy: -44.172
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -29.121
tors. eta vs tors. theta energy: -45.909
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: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -516.786271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.786271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.786271 (E_RNA)
where:
Base-Base interactions energy: -309.643
where: short stacking energy: -153.751
Base-Backbone interact. energy: 1.243
local terms energy: -208.386079
where:
bonds (distance) C4'-P energy: -41.352
bonds (distance) P-C4' energy: -49.487
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -43.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -459.794425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.794425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.794425 (E_RNA)
where:
Base-Base interactions energy: -274.257
where: short stacking energy: -139.537
Base-Backbone interact. energy: -1.511
local terms energy: -184.026442
where:
bonds (distance) C4'-P energy: -39.201
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -322.350312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.350312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.350312 (E_RNA)
where:
Base-Base interactions energy: -181.708
where: short stacking energy: -94.578
Base-Backbone interact. energy: 2.133
local terms energy: -142.775673
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -38.960
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -354.746241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.746241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.746241 (E_RNA)
where:
Base-Base interactions energy: -220.501
where: short stacking energy: -107.197
Base-Backbone interact. energy: 0.778
local terms energy: -135.023177
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -198.951281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.951281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.951281 (E_RNA)
where:
Base-Base interactions energy: -66.434
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.924
local terms energy: -131.593278
where:
bonds (distance) C4'-P energy: -42.383
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -39.356
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: 2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -205.866281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.866281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.866281 (E_RNA)
where:
Base-Base interactions energy: -74.734
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.653
local terms energy: -130.478925
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -716.833962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.833962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.833962 (E_RNA)
where:
Base-Base interactions energy: -475.905
where: short stacking energy: -210.424
Base-Backbone interact. energy: -0.511
local terms energy: -240.417271
where:
bonds (distance) C4'-P energy: -44.351
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -47.988
flat angles P-C4'-P energy: -34.849
tors. eta vs tors. theta energy: -69.554
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: 50
Temperature: 0.950000
Total energy: -647.560521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.560521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.560521 (E_RNA)
where:
Base-Base interactions energy: -429.951
where: short stacking energy: -195.551
Base-Backbone interact. energy: 1.559
local terms energy: -219.168870
where:
bonds (distance) C4'-P energy: -41.065
bonds (distance) P-C4' energy: -51.754
flat angles C4'-P-C4' energy: -42.547
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -626.247317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.247317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.247317 (E_RNA)
where:
Base-Base interactions energy: -407.775
where: short stacking energy: -185.533
Base-Backbone interact. energy: 0.546
local terms energy: -219.018623
where:
bonds (distance) C4'-P energy: -40.227
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -48.394
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: -53.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -587.189670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.189670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.189670 (E_RNA)
where:
Base-Base interactions energy: -375.238
where: short stacking energy: -178.903
Base-Backbone interact. energy: -0.166
local terms energy: -211.785847
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -47.634
flat angles P-C4'-P energy: -32.840
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -511.518006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.518006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.518006 (E_RNA)
where:
Base-Base interactions energy: -312.230
where: short stacking energy: -139.815
Base-Backbone interact. energy: -0.430
local terms energy: -198.858008
where:
bonds (distance) C4'-P energy: -42.794
bonds (distance) P-C4' energy: -46.371
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -35.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -494.042457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.042457 (E_RNA)
where:
Base-Base interactions energy: -299.767
where: short stacking energy: -141.659
Base-Backbone interact. energy: 0.312
local terms energy: -194.587902
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -44.701
flat angles C4'-P-C4' energy: -46.699
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -41.127
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: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -363.839949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.839949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.839949 (E_RNA)
where:
Base-Base interactions energy: -211.383
where: short stacking energy: -108.628
Base-Backbone interact. energy: -0.234
local terms energy: -152.223214
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -244.232112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.232112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.232112 (E_RNA)
where:
Base-Base interactions energy: -110.435
where: short stacking energy: -64.193
Base-Backbone interact. energy: 0.693
local terms energy: -134.490838
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: 7.350
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: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -183.720062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.720062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.720062 (E_RNA)
where:
Base-Base interactions energy: -56.518
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.428
local terms energy: -126.773588
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -227.490858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490858 (E_RNA)
where:
Base-Base interactions energy: -99.302
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.929
local terms energy: -127.259735
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -716.851544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.851544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.851544 (E_RNA)
where:
Base-Base interactions energy: -467.641
where: short stacking energy: -232.175
Base-Backbone interact. energy: -0.124
local terms energy: -249.086982
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -46.246
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -76.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -660.869847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.869847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.869847 (E_RNA)
where:
Base-Base interactions energy: -442.728
where: short stacking energy: -199.301
Base-Backbone interact. energy: -0.479
local terms energy: -217.663657
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -43.528
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -62.465
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -609.698911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.698911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.698911 (E_RNA)
where:
Base-Base interactions energy: -394.305
where: short stacking energy: -186.140
Base-Backbone interact. energy: -0.224
local terms energy: -215.169886
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -46.322
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -580.121645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.121645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.121645 (E_RNA)
where:
Base-Base interactions energy: -379.479
where: short stacking energy: -167.406
Base-Backbone interact. energy: -0.671
local terms energy: -199.971724
where:
bonds (distance) C4'-P energy: -40.570
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -41.005
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -55.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -494.741380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.741380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.741380 (E_RNA)
where:
Base-Base interactions energy: -319.911
where: short stacking energy: -142.781
Base-Backbone interact. energy: 0.510
local terms energy: -175.339897
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -34.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -446.180185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.180185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.180185 (E_RNA)
where:
Base-Base interactions energy: -271.566
where: short stacking energy: -139.186
Base-Backbone interact. energy: 0.911
local terms energy: -175.525354
where:
bonds (distance) C4'-P energy: -37.011
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -28.707
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: 51
Temperature: 1.200000
Total energy: -374.779723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.779723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.779723 (E_RNA)
where:
Base-Base interactions energy: -227.843
where: short stacking energy: -109.047
Base-Backbone interact. energy: -0.616
local terms energy: -146.320112
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -36.745
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -25.550
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: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -214.001945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001945 (E_RNA)
where:
Base-Base interactions energy: -83.213
where: short stacking energy: -74.944
Base-Backbone interact. energy: -0.323
local terms energy: -130.466383
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -205.779893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.779893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.779893 (E_RNA)
where:
Base-Base interactions energy: -90.153
where: short stacking energy: -71.134
Base-Backbone interact. energy: 1.715
local terms energy: -117.342084
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -205.096849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.096849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.096849 (E_RNA)
where:
Base-Base interactions energy: -92.056
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.537
local terms energy: -112.504080
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -39.287
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: 6.437
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -727.068578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.068578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.068578 (E_RNA)
where:
Base-Base interactions energy: -487.183
where: short stacking energy: -226.260
Base-Backbone interact. energy: -0.312
local terms energy: -239.574377
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -42.992
flat angles C4'-P-C4' energy: -48.824
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -74.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -657.707259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.707259 (E_RNA)
where:
Base-Base interactions energy: -440.886
where: short stacking energy: -198.715
Base-Backbone interact. energy: -0.202
local terms energy: -216.619557
where:
bonds (distance) C4'-P energy: -42.466
bonds (distance) P-C4' energy: -41.235
flat angles C4'-P-C4' energy: -41.045
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -610.762977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.762977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.762977 (E_RNA)
where:
Base-Base interactions energy: -410.747
where: short stacking energy: -187.278
Base-Backbone interact. energy: 0.937
local terms energy: -200.952440
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -43.214
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -53.098
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: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -575.688643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.688643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.688643 (E_RNA)
where:
Base-Base interactions energy: -361.667
where: short stacking energy: -164.453
Base-Backbone interact. energy: -0.152
local terms energy: -213.869557
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -49.474
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -55.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -552.761573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.761573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.761573 (E_RNA)
where:
Base-Base interactions energy: -367.901
where: short stacking energy: -179.969
Base-Backbone interact. energy: 1.159
local terms energy: -186.018687
where:
bonds (distance) C4'-P energy: -35.589
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -54.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -465.392700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.392700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.392700 (E_RNA)
where:
Base-Base interactions energy: -279.443
where: short stacking energy: -152.423
Base-Backbone interact. energy: -0.620
local terms energy: -185.329928
where:
bonds (distance) C4'-P energy: -40.451
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -37.139
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: 52
Temperature: 1.200000
Total energy: -362.627333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.627333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.627333 (E_RNA)
where:
Base-Base interactions energy: -218.153
where: short stacking energy: -108.614
Base-Backbone interact. energy: -0.135
local terms energy: -144.339168
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -39.859
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -215.646133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.646133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.646133 (E_RNA)
where:
Base-Base interactions energy: -81.347
where: short stacking energy: -80.313
Base-Backbone interact. energy: -1.236
local terms energy: -133.062430
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -199.934442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.934442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.934442 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.878
local terms energy: -133.003103
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -25.913
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -178.718399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.718399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.718399 (E_RNA)
where:
Base-Base interactions energy: -64.465
where: short stacking energy: -57.170
Base-Backbone interact. energy: 0.426
local terms energy: -114.679019
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: 4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -726.036239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.036239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.036239 (E_RNA)
where:
Base-Base interactions energy: -485.544
where: short stacking energy: -220.381
Base-Backbone interact. energy: -0.302
local terms energy: -240.190457
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -50.405
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -66.106
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -622.783952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.783952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.783952 (E_RNA)
where:
Base-Base interactions energy: -410.064
where: short stacking energy: -189.831
Base-Backbone interact. energy: -0.411
local terms energy: -212.308764
where:
bonds (distance) C4'-P energy: -42.277
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -58.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -614.511077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.511077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.511077 (E_RNA)
where:
Base-Base interactions energy: -396.990
where: short stacking energy: -191.888
Base-Backbone interact. energy: 0.036
local terms energy: -217.557083
where:
bonds (distance) C4'-P energy: -36.717
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -33.517
tors. eta vs tors. theta energy: -56.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -558.152819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.152819 (E_RNA)
where:
Base-Base interactions energy: -367.973
where: short stacking energy: -176.334
Base-Backbone interact. energy: 1.461
local terms energy: -191.641013
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -26.215
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -553.327010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.327010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.327010 (E_RNA)
where:
Base-Base interactions energy: -350.348
where: short stacking energy: -167.761
Base-Backbone interact. energy: -0.585
local terms energy: -202.393896
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -46.935
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -54.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -459.119341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.119341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.119341 (E_RNA)
where:
Base-Base interactions energy: -283.973
where: short stacking energy: -126.217
Base-Backbone interact. energy: -0.460
local terms energy: -174.686112
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -41.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -380.871589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.871589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.871589 (E_RNA)
where:
Base-Base interactions energy: -231.217
where: short stacking energy: -112.640
Base-Backbone interact. energy: -0.665
local terms energy: -148.989193
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -213.593963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593963 (E_RNA)
where:
Base-Base interactions energy: -82.874
where: short stacking energy: -71.795
Base-Backbone interact. energy: 0.700
local terms energy: -131.419294
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -3.343
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -198.967564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.967564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.967564 (E_RNA)
where:
Base-Base interactions energy: -71.594
where: short stacking energy: -61.185
Base-Backbone interact. energy: 0.112
local terms energy: -127.485849
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -44.043
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -191.967708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.967708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.967708 (E_RNA)
where:
Base-Base interactions energy: -69.027
where: short stacking energy: -46.726
Base-Backbone interact. energy: -0.845
local terms energy: -122.094943
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -39.821
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: 1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -721.242630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.242630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.242630 (E_RNA)
where:
Base-Base interactions energy: -489.645
where: short stacking energy: -220.038
Base-Backbone interact. energy: -0.522
local terms energy: -231.075502
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -40.274
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -69.917
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -613.597666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.597666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.597666 (E_RNA)
where:
Base-Base interactions energy: -387.654
where: short stacking energy: -192.696
Base-Backbone interact. energy: -0.271
local terms energy: -225.672372
where:
bonds (distance) C4'-P energy: -42.610
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -58.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -618.764699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.764699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.764699 (E_RNA)
where:
Base-Base interactions energy: -403.779
where: short stacking energy: -190.500
Base-Backbone interact. energy: 1.125
local terms energy: -216.110749
where:
bonds (distance) C4'-P energy: -40.747
bonds (distance) P-C4' energy: -40.793
flat angles C4'-P-C4' energy: -47.742
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -55.990
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: 54
Temperature: 1.050000
Total energy: -552.178234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.178234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.178234 (E_RNA)
where:
Base-Base interactions energy: -367.937
where: short stacking energy: -172.145
Base-Backbone interact. energy: -0.388
local terms energy: -183.853752
where:
bonds (distance) C4'-P energy: -35.297
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -42.864
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -38.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -582.635118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.635118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.635118 (E_RNA)
where:
Base-Base interactions energy: -377.882
where: short stacking energy: -176.415
Base-Backbone interact. energy: 0.821
local terms energy: -205.574170
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -41.224
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -55.885
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -429.806502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.806502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.806502 (E_RNA)
where:
Base-Base interactions energy: -259.582
where: short stacking energy: -123.614
Base-Backbone interact. energy: 0.463
local terms energy: -170.687733
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -45.737
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -29.745
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -364.117220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.117220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.117220 (E_RNA)
where:
Base-Base interactions energy: -220.578
where: short stacking energy: -113.350
Base-Backbone interact. energy: -0.430
local terms energy: -143.108854
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -288.955418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.955418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.955418 (E_RNA)
where:
Base-Base interactions energy: -140.964
where: short stacking energy: -82.417
Base-Backbone interact. energy: -0.179
local terms energy: -147.812466
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -215.306511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.306511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.306511 (E_RNA)
where:
Base-Base interactions energy: -71.778
where: short stacking energy: -64.793
Base-Backbone interact. energy: 0.332
local terms energy: -143.860688
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -192.190192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.190192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190192 (E_RNA)
where:
Base-Base interactions energy: -72.963
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.420
local terms energy: -118.806998
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 2.566
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -728.903401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.903401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.903401 (E_RNA)
where:
Base-Base interactions energy: -485.406
where: short stacking energy: -224.891
Base-Backbone interact. energy: -0.081
local terms energy: -243.417070
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -70.163
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: 55
Temperature: 0.950000
Total energy: -656.212433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.212433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.212433 (E_RNA)
where:
Base-Base interactions energy: -436.522
where: short stacking energy: -204.804
Base-Backbone interact. energy: -0.847
local terms energy: -218.843266
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -46.167
flat angles C4'-P-C4' energy: -48.044
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -61.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -595.994423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.994423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.994423 (E_RNA)
where:
Base-Base interactions energy: -399.463
where: short stacking energy: -180.872
Base-Backbone interact. energy: -0.174
local terms energy: -196.357571
where:
bonds (distance) C4'-P energy: -41.967
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -47.214
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: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -589.246148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.246148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.246148 (E_RNA)
where:
Base-Base interactions energy: -390.451
where: short stacking energy: -178.551
Base-Backbone interact. energy: -0.292
local terms energy: -198.503188
where:
bonds (distance) C4'-P energy: -38.511
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -52.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -540.815635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.815635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.815635 (E_RNA)
where:
Base-Base interactions energy: -362.717
where: short stacking energy: -173.851
Base-Backbone interact. energy: -0.484
local terms energy: -177.614694
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -448.873735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.873735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.873735 (E_RNA)
where:
Base-Base interactions energy: -280.435
where: short stacking energy: -147.854
Base-Backbone interact. energy: -0.232
local terms energy: -168.206766
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -37.389
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: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -361.355300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.355300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.355300 (E_RNA)
where:
Base-Base interactions energy: -214.427
where: short stacking energy: -116.194
Base-Backbone interact. energy: -0.322
local terms energy: -146.606646
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -289.246112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.246112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.246112 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -74.275
Base-Backbone interact. energy: 1.186
local terms energy: -146.215333
where:
bonds (distance) C4'-P energy: -42.297
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -41.911
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -236.155059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.155059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.155059 (E_RNA)
where:
Base-Base interactions energy: -104.294
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.348
local terms energy: -131.513669
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -12.978
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: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -180.249375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.249375 (E_RNA)
where:
Base-Base interactions energy: -61.968
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.611
local terms energy: -117.671026
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: 5.715
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -726.893659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.893659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.893659 (E_RNA)
where:
Base-Base interactions energy: -479.484
where: short stacking energy: -212.691
Base-Backbone interact. energy: -1.547
local terms energy: -245.861738
where:
bonds (distance) C4'-P energy: -41.876
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -52.008
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -68.964
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: 56
Temperature: 0.950000
Total energy: -685.262071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.262071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.262071 (E_RNA)
where:
Base-Base interactions energy: -449.777
where: short stacking energy: -203.689
Base-Backbone interact. energy: -1.222
local terms energy: -234.262713
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -626.992109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.992109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.992109 (E_RNA)
where:
Base-Base interactions energy: -393.884
where: short stacking energy: -187.697
Base-Backbone interact. energy: -0.280
local terms energy: -232.827915
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -46.998
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -60.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -599.473282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.473282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.473282 (E_RNA)
where:
Base-Base interactions energy: -412.260
where: short stacking energy: -177.353
Base-Backbone interact. energy: -0.398
local terms energy: -186.815217
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -46.842
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -48.109
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: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -564.178667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.178667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.178667 (E_RNA)
where:
Base-Base interactions energy: -365.977
where: short stacking energy: -154.975
Base-Backbone interact. energy: -0.380
local terms energy: -197.821763
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -45.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -495.914931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.914931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.914931 (E_RNA)
where:
Base-Base interactions energy: -315.964
where: short stacking energy: -158.101
Base-Backbone interact. energy: -1.021
local terms energy: -178.929511
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -41.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -358.371623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.371623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.371623 (E_RNA)
where:
Base-Base interactions energy: -198.601
where: short stacking energy: -102.595
Base-Backbone interact. energy: 1.313
local terms energy: -161.083601
where:
bonds (distance) C4'-P energy: -36.950
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -303.932540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.932540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.932540 (E_RNA)
where:
Base-Base interactions energy: -160.890
where: short stacking energy: -104.857
Base-Backbone interact. energy: -1.569
local terms energy: -141.473358
where:
bonds (distance) C4'-P energy: -33.123
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -39.431
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -216.227628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.227628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.227628 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.759
local terms energy: -122.537835
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -35.637
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -212.880131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.880131 (E_RNA)
where:
Base-Base interactions energy: -83.398
where: short stacking energy: -76.484
Base-Backbone interact. energy: 0.543
local terms energy: -130.025241
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -13.231
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -722.996163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.996163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.996163 (E_RNA)
where:
Base-Base interactions energy: -477.266
where: short stacking energy: -215.711
Base-Backbone interact. energy: -1.022
local terms energy: -244.708577
where:
bonds (distance) C4'-P energy: -42.980
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -668.832310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.832310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.832310 (E_RNA)
where:
Base-Base interactions energy: -443.651
where: short stacking energy: -212.255
Base-Backbone interact. energy: 0.396
local terms energy: -225.577594
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -30.606
tors. eta vs tors. theta energy: -63.375
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: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -641.583342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.583342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.583342 (E_RNA)
where:
Base-Base interactions energy: -416.699
where: short stacking energy: -201.795
Base-Backbone interact. energy: -0.509
local terms energy: -224.375901
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -62.977
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: 57
Temperature: 1.050000
Total energy: -591.401538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.401538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.401538 (E_RNA)
where:
Base-Base interactions energy: -392.158
where: short stacking energy: -184.872
Base-Backbone interact. energy: -0.616
local terms energy: -198.628011
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -52.655
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: 57
Temperature: 1.100000
Total energy: -556.735672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.735672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.735672 (E_RNA)
where:
Base-Base interactions energy: -363.226
where: short stacking energy: -165.546
Base-Backbone interact. energy: 1.122
local terms energy: -194.631616
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -43.845
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -52.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -528.020934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.020934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.020934 (E_RNA)
where:
Base-Base interactions energy: -339.550
where: short stacking energy: -163.101
Base-Backbone interact. energy: -0.156
local terms energy: -188.315477
where:
bonds (distance) C4'-P energy: -42.703
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -40.131
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -45.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -382.494597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.494597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.494597 (E_RNA)
where:
Base-Base interactions energy: -220.698
where: short stacking energy: -124.398
Base-Backbone interact. energy: -0.191
local terms energy: -161.606044
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -321.204643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.204643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.204643 (E_RNA)
where:
Base-Base interactions energy: -191.995
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.767
local terms energy: -128.443308
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -38.734
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -210.092244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.092244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.092244 (E_RNA)
where:
Base-Base interactions energy: -77.757
where: short stacking energy: -51.942
Base-Backbone interact. energy: -2.870
local terms energy: -129.465363
where:
bonds (distance) C4'-P energy: -36.329
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -1.987
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: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -182.463878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463878 (E_RNA)
where:
Base-Base interactions energy: -73.230
where: short stacking energy: -59.510
Base-Backbone interact. energy: 0.147
local terms energy: -109.381497
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: 4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -720.108945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.108945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.108945 (E_RNA)
where:
Base-Base interactions energy: -480.882
where: short stacking energy: -220.279
Base-Backbone interact. energy: -0.234
local terms energy: -238.992815
where:
bonds (distance) C4'-P energy: -36.716
bonds (distance) P-C4' energy: -45.403
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -68.290
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -652.408603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.408603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.408603 (E_RNA)
where:
Base-Base interactions energy: -426.191
where: short stacking energy: -188.462
Base-Backbone interact. energy: -0.669
local terms energy: -225.548501
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -54.866
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: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -610.553756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.553756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.553756 (E_RNA)
where:
Base-Base interactions energy: -412.160
where: short stacking energy: -192.263
Base-Backbone interact. energy: -0.096
local terms energy: -198.297892
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -59.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -597.095882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.095882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.095882 (E_RNA)
where:
Base-Base interactions energy: -385.275
where: short stacking energy: -176.713
Base-Backbone interact. energy: -0.988
local terms energy: -210.832344
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -46.638
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -58.622
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: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -564.461408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.461408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.461408 (E_RNA)
where:
Base-Base interactions energy: -365.935
where: short stacking energy: -161.295
Base-Backbone interact. energy: -0.609
local terms energy: -197.917385
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -46.289
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -42.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -555.674371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.674371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.674371 (E_RNA)
where:
Base-Base interactions energy: -361.151
where: short stacking energy: -171.996
Base-Backbone interact. energy: -0.717
local terms energy: -193.806067
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -55.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -368.539726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.539726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.539726 (E_RNA)
where:
Base-Base interactions energy: -219.680
where: short stacking energy: -110.961
Base-Backbone interact. energy: -0.581
local terms energy: -148.278868
where:
bonds (distance) C4'-P energy: -41.019
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -10.619
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: 58
Temperature: 1.250000
Total energy: -376.956025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.956025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.956025 (E_RNA)
where:
Base-Base interactions energy: -225.580
where: short stacking energy: -136.373
Base-Backbone interact. energy: -0.646
local terms energy: -150.730098
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -39.048
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -22.261
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: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -248.080731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.080731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.080731 (E_RNA)
where:
Base-Base interactions energy: -115.159
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.823
local terms energy: -132.098543
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -178.820094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.820094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.820094 (E_RNA)
where:
Base-Base interactions energy: -52.429
where: short stacking energy: -41.514
Base-Backbone interact. energy: 3.351
local terms energy: -129.742299
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -40.996
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: 9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -738.533716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.533716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.533716 (E_RNA)
where:
Base-Base interactions energy: -497.187
where: short stacking energy: -225.043
Base-Backbone interact. energy: -0.863
local terms energy: -240.483260
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -30.887
tors. eta vs tors. theta energy: -69.849
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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -657.478348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.478348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.478348 (E_RNA)
where:
Base-Base interactions energy: -445.947
where: short stacking energy: -200.132
Base-Backbone interact. energy: 0.170
local terms energy: -211.701524
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -46.446
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -56.401
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: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -636.825436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.825436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.825436 (E_RNA)
where:
Base-Base interactions energy: -399.887
where: short stacking energy: -195.152
Base-Backbone interact. energy: -0.375
local terms energy: -236.563296
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -68.361
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -590.974448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.974448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.974448 (E_RNA)
where:
Base-Base interactions energy: -403.320
where: short stacking energy: -185.094
Base-Backbone interact. energy: 3.958
local terms energy: -191.611942
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -54.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -548.314322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.314322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.314322 (E_RNA)
where:
Base-Base interactions energy: -358.873
where: short stacking energy: -169.938
Base-Backbone interact. energy: -0.253
local terms energy: -189.188419
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -557.328769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.328769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.328769 (E_RNA)
where:
Base-Base interactions energy: -371.488
where: short stacking energy: -186.543
Base-Backbone interact. energy: 0.746
local terms energy: -186.586293
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -48.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -356.663699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.663699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.663699 (E_RNA)
where:
Base-Base interactions energy: -196.137
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.474
local terms energy: -160.053301
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -345.576248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.576248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.576248 (E_RNA)
where:
Base-Base interactions energy: -193.140
where: short stacking energy: -89.857
Base-Backbone interact. energy: -0.902
local terms energy: -151.534806
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -38.225
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -301.814675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.814675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.814675 (E_RNA)
where:
Base-Base interactions energy: -162.074
where: short stacking energy: -92.839
Base-Backbone interact. energy: -0.361
local terms energy: -139.380203
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -37.033
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -214.015615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.015615 (E_RNA)
where:
Base-Base interactions energy: -67.820
where: short stacking energy: -59.030
Base-Backbone interact. energy: 5.005
local terms energy: -151.200825
where:
bonds (distance) C4'-P energy: -37.198
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -714.738148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.738148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.738148 (E_RNA)
where:
Base-Base interactions energy: -487.494
where: short stacking energy: -209.988
Base-Backbone interact. energy: -0.682
local terms energy: -226.562592
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -60.989
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: 60
Temperature: 0.950000
Total energy: -681.904948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.904948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.904948 (E_RNA)
where:
Base-Base interactions energy: -457.549
where: short stacking energy: -213.981
Base-Backbone interact. energy: 0.474
local terms energy: -224.830084
where:
bonds (distance) C4'-P energy: -41.518
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -63.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -625.829057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.829057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.829057 (E_RNA)
where:
Base-Base interactions energy: -410.073
where: short stacking energy: -203.816
Base-Backbone interact. energy: -0.440
local terms energy: -215.315473
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -63.741
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -580.177730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.177730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.177730 (E_RNA)
where:
Base-Base interactions energy: -371.567
where: short stacking energy: -174.845
Base-Backbone interact. energy: -0.603
local terms energy: -208.007303
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: -59.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -544.862338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.862338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.862338 (E_RNA)
where:
Base-Base interactions energy: -349.724
where: short stacking energy: -160.043
Base-Backbone interact. energy: -0.226
local terms energy: -194.911441
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -49.450
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: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -548.927684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.927684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.927684 (E_RNA)
where:
Base-Base interactions energy: -368.814
where: short stacking energy: -178.257
Base-Backbone interact. energy: 0.627
local terms energy: -180.741350
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -42.961
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -43.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -371.512381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.512381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.512381 (E_RNA)
where:
Base-Base interactions energy: -211.018
where: short stacking energy: -115.491
Base-Backbone interact. energy: -0.723
local terms energy: -159.770925
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -24.276
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: 60
Temperature: 1.250000
Total energy: -357.564666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.564666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.564666 (E_RNA)
where:
Base-Base interactions energy: -202.112
where: short stacking energy: -105.106
Base-Backbone interact. energy: -0.814
local terms energy: -154.638723
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -311.163669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.163669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.163669 (E_RNA)
where:
Base-Base interactions energy: -174.624
where: short stacking energy: -79.785
Base-Backbone interact. energy: 1.364
local terms energy: -137.903388
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -33.285
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -184.301325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301325 (E_RNA)
where:
Base-Base interactions energy: -65.676
where: short stacking energy: -52.368
Base-Backbone interact. energy: 4.634
local terms energy: -123.259186
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: 6.861
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: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -721.851194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.851194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.851194 (E_RNA)
where:
Base-Base interactions energy: -479.992
where: short stacking energy: -213.259
Base-Backbone interact. energy: -0.258
local terms energy: -241.600960
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -43.327
flat angles C4'-P-C4' energy: -50.012
flat angles P-C4'-P energy: -38.677
tors. eta vs tors. theta energy: -65.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -684.326850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.326850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.326850 (E_RNA)
where:
Base-Base interactions energy: -458.454
where: short stacking energy: -195.656
Base-Backbone interact. energy: -0.506
local terms energy: -225.366408
where:
bonds (distance) C4'-P energy: -44.327
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -57.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -609.747351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.747351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.747351 (E_RNA)
where:
Base-Base interactions energy: -391.217
where: short stacking energy: -192.108
Base-Backbone interact. energy: -0.801
local terms energy: -217.728899
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -49.573
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -60.597
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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -536.258485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.258485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.258485 (E_RNA)
where:
Base-Base interactions energy: -331.213
where: short stacking energy: -153.158
Base-Backbone interact. energy: -0.140
local terms energy: -204.906073
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -48.412
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -557.727955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.727955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.727955 (E_RNA)
where:
Base-Base interactions energy: -357.032
where: short stacking energy: -174.241
Base-Backbone interact. energy: 0.148
local terms energy: -200.843769
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -43.485
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -53.626
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -549.810120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.810120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.810120 (E_RNA)
where:
Base-Base interactions energy: -348.846
where: short stacking energy: -169.256
Base-Backbone interact. energy: -1.092
local terms energy: -199.872308
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -40.746
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -24.762
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -359.491991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.491991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.491991 (E_RNA)
where:
Base-Base interactions energy: -210.755
where: short stacking energy: -101.368
Base-Backbone interact. energy: 0.180
local terms energy: -148.917246
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -282.992509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.992509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.992509 (E_RNA)
where:
Base-Base interactions energy: -148.280
where: short stacking energy: -87.745
Base-Backbone interact. energy: -0.356
local terms energy: -134.356823
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -308.734390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.734390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.734390 (E_RNA)
where:
Base-Base interactions energy: -181.911
where: short stacking energy: -83.118
Base-Backbone interact. energy: 0.601
local terms energy: -127.424301
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -216.035533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.035533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.035533 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -54.583
Base-Backbone interact. energy: 0.135
local terms energy: -128.027794
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -41.990
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -724.336173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.336173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.336173 (E_RNA)
where:
Base-Base interactions energy: -485.613
where: short stacking energy: -207.327
Base-Backbone interact. energy: -0.460
local terms energy: -238.262970
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -49.232
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -66.077
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: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -649.790252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.790252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.790252 (E_RNA)
where:
Base-Base interactions energy: -424.475
where: short stacking energy: -202.251
Base-Backbone interact. energy: -1.020
local terms energy: -224.295137
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -48.974
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -59.830
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -611.911933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.911933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.911933 (E_RNA)
where:
Base-Base interactions energy: -403.443
where: short stacking energy: -189.021
Base-Backbone interact. energy: -1.009
local terms energy: -207.460105
where:
bonds (distance) C4'-P energy: -41.263
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -60.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -577.211656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.211656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.211656 (E_RNA)
where:
Base-Base interactions energy: -356.374
where: short stacking energy: -183.350
Base-Backbone interact. energy: -0.377
local terms energy: -220.460461
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -51.240
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: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -559.997480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.997480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.997480 (E_RNA)
where:
Base-Base interactions energy: -359.480
where: short stacking energy: -181.657
Base-Backbone interact. energy: -1.718
local terms energy: -198.799294
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -45.439
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: -52.641
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -572.893244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.893244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.893244 (E_RNA)
where:
Base-Base interactions energy: -374.145
where: short stacking energy: -172.433
Base-Backbone interact. energy: -0.436
local terms energy: -198.312414
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -49.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -405.032435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.032435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.032435 (E_RNA)
where:
Base-Base interactions energy: -243.926
where: short stacking energy: -131.506
Base-Backbone interact. energy: -1.042
local terms energy: -160.064263
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -336.015922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.015922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.015922 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -104.676
Base-Backbone interact. energy: 1.607
local terms energy: -135.569468
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -18.272
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -321.606435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.606435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.606435 (E_RNA)
where:
Base-Base interactions energy: -185.973
where: short stacking energy: -97.819
Base-Backbone interact. energy: -0.106
local terms energy: -135.527481
where:
bonds (distance) C4'-P energy: -39.714
bonds (distance) P-C4' energy: -39.406
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -17.274
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: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -197.535123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.535123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.535123 (E_RNA)
where:
Base-Base interactions energy: -91.070
where: short stacking energy: -48.691
Base-Backbone interact. energy: 1.866
local terms energy: -108.330559
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -726.745045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.745045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.745045 (E_RNA)
where:
Base-Base interactions energy: -485.933
where: short stacking energy: -209.009
Base-Backbone interact. energy: -0.955
local terms energy: -239.857170
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -71.930
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -673.381795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.381795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.381795 (E_RNA)
where:
Base-Base interactions energy: -450.553
where: short stacking energy: -194.988
Base-Backbone interact. energy: -0.403
local terms energy: -222.425987
where:
bonds (distance) C4'-P energy: -41.091
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -58.396
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: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -618.534715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.534715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.534715 (E_RNA)
where:
Base-Base interactions energy: -400.075
where: short stacking energy: -196.729
Base-Backbone interact. energy: -0.138
local terms energy: -218.321539
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -47.506
flat angles C4'-P-C4' energy: -50.290
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -63.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -599.576079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.576079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.576079 (E_RNA)
where:
Base-Base interactions energy: -392.299
where: short stacking energy: -192.501
Base-Backbone interact. energy: -0.996
local terms energy: -206.281694
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -55.321
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: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -578.761862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.761862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.761862 (E_RNA)
where:
Base-Base interactions energy: -369.035
where: short stacking energy: -182.674
Base-Backbone interact. energy: -0.432
local terms energy: -209.295001
where:
bonds (distance) C4'-P energy: -45.338
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -54.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -582.297211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.297211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.297211 (E_RNA)
where:
Base-Base interactions energy: -378.412
where: short stacking energy: -182.836
Base-Backbone interact. energy: 1.100
local terms energy: -204.985062
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -58.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -361.717988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.717988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.717988 (E_RNA)
where:
Base-Base interactions energy: -213.582
where: short stacking energy: -102.362
Base-Backbone interact. energy: -0.884
local terms energy: -147.252080
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -363.882815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.882815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.882815 (E_RNA)
where:
Base-Base interactions energy: -190.564
where: short stacking energy: -103.580
Base-Backbone interact. energy: -1.790
local terms energy: -171.528710
where:
bonds (distance) C4'-P energy: -44.794
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -38.759
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -30.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -342.485241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.485241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.485241 (E_RNA)
where:
Base-Base interactions energy: -211.443
where: short stacking energy: -102.288
Base-Backbone interact. energy: -0.237
local terms energy: -130.804745
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -16.984
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: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -178.161555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.161555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.161555 (E_RNA)
where:
Base-Base interactions energy: -56.339
where: short stacking energy: -46.914
Base-Backbone interact. energy: -1.551
local terms energy: -120.271988
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -32.833
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -718.700214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.700214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.700214 (E_RNA)
where:
Base-Base interactions energy: -487.665
where: short stacking energy: -220.977
Base-Backbone interact. energy: -1.328
local terms energy: -229.706630
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -46.519
flat angles P-C4'-P energy: -34.742
tors. eta vs tors. theta energy: -65.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -669.437768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.437768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.437768 (E_RNA)
where:
Base-Base interactions energy: -446.240
where: short stacking energy: -195.999
Base-Backbone interact. energy: 0.924
local terms energy: -224.121448
where:
bonds (distance) C4'-P energy: -43.168
bonds (distance) P-C4' energy: -41.776
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -62.761
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -637.419751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.419751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.419751 (E_RNA)
where:
Base-Base interactions energy: -413.743
where: short stacking energy: -193.810
Base-Backbone interact. energy: -0.197
local terms energy: -223.479881
where:
bonds (distance) C4'-P energy: -37.155
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -50.995
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -61.568
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: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -575.894711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.894711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.894711 (E_RNA)
where:
Base-Base interactions energy: -379.845
where: short stacking energy: -176.232
Base-Backbone interact. energy: 0.581
local terms energy: -196.630544
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -46.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -581.214200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.214200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.214200 (E_RNA)
where:
Base-Base interactions energy: -385.059
where: short stacking energy: -178.824
Base-Backbone interact. energy: -0.102
local terms energy: -196.053221
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -40.569
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -559.574503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.574503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.574503 (E_RNA)
where:
Base-Base interactions energy: -373.242
where: short stacking energy: -155.422
Base-Backbone interact. energy: 0.946
local terms energy: -187.278867
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -42.396
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -47.422
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: 64
Temperature: 1.200000
Total energy: -350.379928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.379928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.379928 (E_RNA)
where:
Base-Base interactions energy: -186.338
where: short stacking energy: -101.468
Base-Backbone interact. energy: -3.570
local terms energy: -160.471824
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -21.406
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: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -345.565858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.565858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.565858 (E_RNA)
where:
Base-Base interactions energy: -186.859
where: short stacking energy: -99.296
Base-Backbone interact. energy: 0.620
local terms energy: -159.326992
where:
bonds (distance) C4'-P energy: -41.926
bonds (distance) P-C4' energy: -39.516
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -353.830968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.830968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.830968 (E_RNA)
where:
Base-Base interactions energy: -207.431
where: short stacking energy: -93.537
Base-Backbone interact. energy: -0.264
local terms energy: -146.135768
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -173.192235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.192235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.192235 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -47.470
Base-Backbone interact. energy: 1.160
local terms energy: -126.881753
where:
bonds (distance) C4'-P energy: -38.706
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: 1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -709.173352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.173352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.173352 (E_RNA)
where:
Base-Base interactions energy: -478.559
where: short stacking energy: -207.225
Base-Backbone interact. energy: -0.522
local terms energy: -230.092639
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -46.212
flat angles C4'-P-C4' energy: -44.306
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -66.509
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -657.522516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.522516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.522516 (E_RNA)
where:
Base-Base interactions energy: -430.476
where: short stacking energy: -205.835
Base-Backbone interact. energy: -0.257
local terms energy: -226.789847
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -44.960
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -29.782
tors. eta vs tors. theta energy: -60.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -616.896695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.896695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.896695 (E_RNA)
where:
Base-Base interactions energy: -400.827
where: short stacking energy: -183.042
Base-Backbone interact. energy: -0.727
local terms energy: -215.342295
where:
bonds (distance) C4'-P energy: -41.259
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -43.878
flat angles P-C4'-P energy: -32.515
tors. eta vs tors. theta energy: -55.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -608.299684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.299684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.299684 (E_RNA)
where:
Base-Base interactions energy: -401.512
where: short stacking energy: -191.610
Base-Backbone interact. energy: -0.697
local terms energy: -206.091023
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -52.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -551.144791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.144791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.144791 (E_RNA)
where:
Base-Base interactions energy: -358.769
where: short stacking energy: -169.439
Base-Backbone interact. energy: -0.230
local terms energy: -192.145530
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -42.674
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -44.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -476.085319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.085319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.085319 (E_RNA)
where:
Base-Base interactions energy: -305.116
where: short stacking energy: -144.926
Base-Backbone interact. energy: -1.984
local terms energy: -168.985116
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -34.640
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -36.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -392.840356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.840356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.840356 (E_RNA)
where:
Base-Base interactions energy: -242.933
where: short stacking energy: -114.358
Base-Backbone interact. energy: -1.456
local terms energy: -148.451888
where:
bonds (distance) C4'-P energy: -42.011
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -28.083
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -351.681487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.681487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.681487 (E_RNA)
where:
Base-Base interactions energy: -195.389
where: short stacking energy: -102.794
Base-Backbone interact. energy: -1.221
local terms energy: -155.071097
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -362.835212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.835212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.835212 (E_RNA)
where:
Base-Base interactions energy: -215.115
where: short stacking energy: -92.418
Base-Backbone interact. energy: -1.282
local terms energy: -146.437270
where:
bonds (distance) C4'-P energy: -42.827
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -7.115
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: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -205.189600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189600 (E_RNA)
where:
Base-Base interactions energy: -70.727
where: short stacking energy: -63.403
Base-Backbone interact. energy: 4.966
local terms energy: -139.428077
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -725.782549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.782549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.782549 (E_RNA)
where:
Base-Base interactions energy: -493.346
where: short stacking energy: -220.027
Base-Backbone interact. energy: 1.359
local terms energy: -233.795580
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -67.071
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -651.893876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.893876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.893876 (E_RNA)
where:
Base-Base interactions energy: -427.664
where: short stacking energy: -201.492
Base-Backbone interact. energy: -0.362
local terms energy: -223.867007
where:
bonds (distance) C4'-P energy: -43.719
bonds (distance) P-C4' energy: -44.267
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -55.707
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: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -619.172474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.172474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.172474 (E_RNA)
where:
Base-Base interactions energy: -400.012
where: short stacking energy: -195.364
Base-Backbone interact. energy: -0.094
local terms energy: -219.066297
where:
bonds (distance) C4'-P energy: -44.568
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -60.913
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: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -593.030202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.030202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.030202 (E_RNA)
where:
Base-Base interactions energy: -394.547
where: short stacking energy: -183.449
Base-Backbone interact. energy: -0.202
local terms energy: -198.281730
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -48.248
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -54.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -479.548035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.548035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.548035 (E_RNA)
where:
Base-Base interactions energy: -300.237
where: short stacking energy: -132.006
Base-Backbone interact. energy: -3.583
local terms energy: -175.727943
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -45.375
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -20.957
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: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -537.013048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.013048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.013048 (E_RNA)
where:
Base-Base interactions energy: -351.302
where: short stacking energy: -157.928
Base-Backbone interact. energy: -1.092
local terms energy: -184.618942
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -27.210
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: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -352.250617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.250617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.250617 (E_RNA)
where:
Base-Base interactions energy: -210.761
where: short stacking energy: -120.302
Base-Backbone interact. energy: 0.876
local terms energy: -142.365184
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -335.807186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.807186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.807186 (E_RNA)
where:
Base-Base interactions energy: -201.605
where: short stacking energy: -96.835
Base-Backbone interact. energy: 0.707
local terms energy: -134.909066
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -350.681030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.681030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.681030 (E_RNA)
where:
Base-Base interactions energy: -207.887
where: short stacking energy: -102.999
Base-Backbone interact. energy: -0.926
local terms energy: -141.867335
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -35.838
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -15.299
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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -181.792629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.792629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.792629 (E_RNA)
where:
Base-Base interactions energy: -75.743
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.659
local terms energy: -105.390676
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -730.664307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.664307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.664307 (E_RNA)
where:
Base-Base interactions energy: -495.387
where: short stacking energy: -222.750
Base-Backbone interact. energy: -0.936
local terms energy: -234.340819
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -29.830
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: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -637.625730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.625730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.625730 (E_RNA)
where:
Base-Base interactions energy: -423.524
where: short stacking energy: -196.240
Base-Backbone interact. energy: -1.360
local terms energy: -212.741778
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -40.856
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -60.943
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: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -633.225227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.225227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.225227 (E_RNA)
where:
Base-Base interactions energy: -418.669
where: short stacking energy: -201.766
Base-Backbone interact. energy: -0.084
local terms energy: -214.472662
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -44.220
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -65.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -583.472750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.472750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.472750 (E_RNA)
where:
Base-Base interactions energy: -398.626
where: short stacking energy: -173.330
Base-Backbone interact. energy: -0.178
local terms energy: -184.668671
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -41.591
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -53.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -479.425077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.425077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.425077 (E_RNA)
where:
Base-Base interactions energy: -308.488
where: short stacking energy: -123.267
Base-Backbone interact. energy: -1.526
local terms energy: -169.411885
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -41.395
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -31.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -530.155212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.155212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.155212 (E_RNA)
where:
Base-Base interactions energy: -347.807
where: short stacking energy: -154.371
Base-Backbone interact. energy: -0.166
local terms energy: -182.183161
where:
bonds (distance) C4'-P energy: -32.530
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -34.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -397.101106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.101106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.101106 (E_RNA)
where:
Base-Base interactions energy: -236.244
where: short stacking energy: -94.811
Base-Backbone interact. energy: -1.105
local terms energy: -159.752284
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -363.281721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.281721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.281721 (E_RNA)
where:
Base-Base interactions energy: -214.460
where: short stacking energy: -107.406
Base-Backbone interact. energy: -0.422
local terms energy: -148.398762
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -316.390616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.390616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.390616 (E_RNA)
where:
Base-Base interactions energy: -168.777
where: short stacking energy: -75.955
Base-Backbone interact. energy: -1.361
local terms energy: -146.252783
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -39.188
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -18.998
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: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -196.423269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.423269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.423269 (E_RNA)
where:
Base-Base interactions energy: -67.845
where: short stacking energy: -67.109
Base-Backbone interact. energy: -1.186
local terms energy: -127.392467
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -37.969
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: 5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -719.746872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.746872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.746872 (E_RNA)
where:
Base-Base interactions energy: -485.695
where: short stacking energy: -214.243
Base-Backbone interact. energy: -0.907
local terms energy: -233.144718
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -72.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -642.334576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.334576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.334576 (E_RNA)
where:
Base-Base interactions energy: -424.795
where: short stacking energy: -212.427
Base-Backbone interact. energy: 0.503
local terms energy: -218.042257
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -43.352
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -69.592
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: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -634.350447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.350447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.350447 (E_RNA)
where:
Base-Base interactions energy: -408.509
where: short stacking energy: -202.134
Base-Backbone interact. energy: -0.046
local terms energy: -225.795223
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -44.727
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -61.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -584.237046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.237046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.237046 (E_RNA)
where:
Base-Base interactions energy: -379.682
where: short stacking energy: -189.760
Base-Backbone interact. energy: -0.823
local terms energy: -203.731807
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -43.140
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -55.586
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: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -573.840277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.840277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.840277 (E_RNA)
where:
Base-Base interactions energy: -384.827
where: short stacking energy: -169.666
Base-Backbone interact. energy: -0.039
local terms energy: -188.974576
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -42.559
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -46.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -473.114002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.114002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.114002 (E_RNA)
where:
Base-Base interactions energy: -314.318
where: short stacking energy: -129.246
Base-Backbone interact. energy: -1.039
local terms energy: -157.757221
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -381.436653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.436653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.436653 (E_RNA)
where:
Base-Base interactions energy: -235.143
where: short stacking energy: -115.056
Base-Backbone interact. energy: -2.375
local terms energy: -143.918528
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -362.236361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.236361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.236361 (E_RNA)
where:
Base-Base interactions energy: -208.378
where: short stacking energy: -110.515
Base-Backbone interact. energy: -0.882
local terms energy: -152.976322
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -45.538
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -25.754
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: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -331.251935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.251935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.251935 (E_RNA)
where:
Base-Base interactions energy: -187.987
where: short stacking energy: -90.631
Base-Backbone interact. energy: -0.952
local terms energy: -142.312808
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -36.125
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -218.074341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.074341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.074341 (E_RNA)
where:
Base-Base interactions energy: -87.353
where: short stacking energy: -56.529
Base-Backbone interact. energy: 0.028
local terms energy: -130.748815
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -41.706
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: 7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -719.888783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.888783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.888783 (E_RNA)
where:
Base-Base interactions energy: -486.997
where: short stacking energy: -214.006
Base-Backbone interact. energy: -1.318
local terms energy: -231.574204
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -47.423
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -62.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -671.700232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.700232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.700232 (E_RNA)
where:
Base-Base interactions energy: -436.980
where: short stacking energy: -222.902
Base-Backbone interact. energy: -0.023
local terms energy: -234.696911
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -68.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -630.509506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.509506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.509506 (E_RNA)
where:
Base-Base interactions energy: -408.237
where: short stacking energy: -185.984
Base-Backbone interact. energy: 0.378
local terms energy: -222.650441
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -47.927
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -59.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -606.397745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.397745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.397745 (E_RNA)
where:
Base-Base interactions energy: -410.471
where: short stacking energy: -179.294
Base-Backbone interact. energy: -0.466
local terms energy: -195.459951
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -50.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -585.183308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.183308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.183308 (E_RNA)
where:
Base-Base interactions energy: -375.230
where: short stacking energy: -179.191
Base-Backbone interact. energy: -0.649
local terms energy: -209.304009
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -29.574
tors. eta vs tors. theta energy: -56.441
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: 69
Temperature: 1.150000
Total energy: -483.273340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.273340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.273340 (E_RNA)
where:
Base-Base interactions energy: -297.936
where: short stacking energy: -160.817
Base-Backbone interact. energy: -0.290
local terms energy: -185.047050
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -44.199
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -41.993
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -376.194168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.194168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.194168 (E_RNA)
where:
Base-Base interactions energy: -221.432
where: short stacking energy: -119.721
Base-Backbone interact. energy: -0.487
local terms energy: -154.275582
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -33.117
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -27.334
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: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -330.407714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.407714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.407714 (E_RNA)
where:
Base-Base interactions energy: -182.136
where: short stacking energy: -90.065
Base-Backbone interact. energy: -0.567
local terms energy: -147.704276
where:
bonds (distance) C4'-P energy: -35.148
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -343.360524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.360524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.360524 (E_RNA)
where:
Base-Base interactions energy: -195.865
where: short stacking energy: -106.960
Base-Backbone interact. energy: -0.559
local terms energy: -146.936202
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -21.088
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: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -199.064412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.064412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.064412 (E_RNA)
where:
Base-Base interactions energy: -77.187
where: short stacking energy: -64.982
Base-Backbone interact. energy: 1.179
local terms energy: -123.056590
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: 0.779
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: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -725.244892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.244892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.244892 (E_RNA)
where:
Base-Base interactions energy: -488.766
where: short stacking energy: -216.368
Base-Backbone interact. energy: -1.683
local terms energy: -234.795787
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -43.178
flat angles C4'-P-C4' energy: -46.492
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -67.839
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -676.400623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.400623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.400623 (E_RNA)
where:
Base-Base interactions energy: -449.710
where: short stacking energy: -205.737
Base-Backbone interact. energy: -0.023
local terms energy: -226.667843
where:
bonds (distance) C4'-P energy: -41.200
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -33.137
tors. eta vs tors. theta energy: -68.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -634.810954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.810954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.810954 (E_RNA)
where:
Base-Base interactions energy: -417.390
where: short stacking energy: -184.106
Base-Backbone interact. energy: 0.638
local terms energy: -218.058927
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -41.994
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -56.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -597.739543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.739543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.739543 (E_RNA)
where:
Base-Base interactions energy: -398.843
where: short stacking energy: -201.229
Base-Backbone interact. energy: 0.758
local terms energy: -199.654500
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -53.743
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: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -555.981633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.981633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.981633 (E_RNA)
where:
Base-Base interactions energy: -359.129
where: short stacking energy: -172.199
Base-Backbone interact. energy: -0.603
local terms energy: -196.249682
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -44.923
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -45.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -473.396453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.396453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.396453 (E_RNA)
where:
Base-Base interactions energy: -303.104
where: short stacking energy: -138.519
Base-Backbone interact. energy: -0.435
local terms energy: -169.857807
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -33.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -384.832034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.832034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.832034 (E_RNA)
where:
Base-Base interactions energy: -229.201
where: short stacking energy: -100.616
Base-Backbone interact. energy: -1.681
local terms energy: -153.949239
where:
bonds (distance) C4'-P energy: -37.807
bonds (distance) P-C4' energy: -43.478
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -353.291531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.291531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.291531 (E_RNA)
where:
Base-Base interactions energy: -193.361
where: short stacking energy: -103.791
Base-Backbone interact. energy: -1.200
local terms energy: -158.730725
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -42.915
flat angles C4'-P-C4' energy: -37.748
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -22.160
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: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -328.981703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.981703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.981703 (E_RNA)
where:
Base-Base interactions energy: -197.770
where: short stacking energy: -115.553
Base-Backbone interact. energy: 0.102
local terms energy: -131.314184
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -188.534061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.534061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.534061 (E_RNA)
where:
Base-Base interactions energy: -76.919
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.727
local terms energy: -110.887763
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: 4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -721.834674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.834674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.834674 (E_RNA)
where:
Base-Base interactions energy: -489.398
where: short stacking energy: -215.214
Base-Backbone interact. energy: -1.394
local terms energy: -231.042023
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -39.794
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -64.454
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: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -680.489489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.489489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.489489 (E_RNA)
where:
Base-Base interactions energy: -458.912
where: short stacking energy: -206.125
Base-Backbone interact. energy: -0.050
local terms energy: -221.527077
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -40.321
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -59.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -634.545942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.545942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.545942 (E_RNA)
where:
Base-Base interactions energy: -419.805
where: short stacking energy: -199.606
Base-Backbone interact. energy: 0.738
local terms energy: -215.479595
where:
bonds (distance) C4'-P energy: -43.055
bonds (distance) P-C4' energy: -43.758
flat angles C4'-P-C4' energy: -41.520
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -61.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -585.653165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.653165 (E_RNA)
where:
Base-Base interactions energy: -388.469
where: short stacking energy: -176.663
Base-Backbone interact. energy: 0.647
local terms energy: -197.831426
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -52.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -539.549094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.549094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.549094 (E_RNA)
where:
Base-Base interactions energy: -353.604
where: short stacking energy: -166.042
Base-Backbone interact. energy: 1.244
local terms energy: -187.188672
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -36.662
flat angles C4'-P-C4' energy: -49.823
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -52.259
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -401.417095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.417095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.417095 (E_RNA)
where:
Base-Base interactions energy: -237.616
where: short stacking energy: -124.201
Base-Backbone interact. energy: -0.992
local terms energy: -162.809657
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -476.326784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.326784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.326784 (E_RNA)
where:
Base-Base interactions energy: -304.971
where: short stacking energy: -147.390
Base-Backbone interact. energy: -0.250
local terms energy: -171.105495
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -39.593
flat angles C4'-P-C4' energy: -42.574
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -34.872
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: -345.981140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.981140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.981140 (E_RNA)
where:
Base-Base interactions energy: -202.661
where: short stacking energy: -106.631
Base-Backbone interact. energy: -0.701
local terms energy: -142.619212
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -22.101
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -296.583760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.583760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.583760 (E_RNA)
where:
Base-Base interactions energy: -153.607
where: short stacking energy: -81.101
Base-Backbone interact. energy: -0.258
local terms energy: -142.719183
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -43.232
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -231.681325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.681325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.681325 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -76.261
Base-Backbone interact. energy: -2.543
local terms energy: -109.719370
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: 2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -715.650625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.650625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.650625 (E_RNA)
where:
Base-Base interactions energy: -478.117
where: short stacking energy: -201.784
Base-Backbone interact. energy: -0.930
local terms energy: -236.603491
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -49.705
flat angles C4'-P-C4' energy: -42.755
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -68.852
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -688.775381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.775381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.775381 (E_RNA)
where:
Base-Base interactions energy: -460.428
where: short stacking energy: -210.614
Base-Backbone interact. energy: -0.259
local terms energy: -228.089125
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -48.903
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -66.730
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -632.558262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.558262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.558262 (E_RNA)
where:
Base-Base interactions energy: -429.694
where: short stacking energy: -192.969
Base-Backbone interact. energy: -0.268
local terms energy: -202.596855
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -46.653
flat angles P-C4'-P energy: -26.005
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: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -607.182241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.182241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.182241 (E_RNA)
where:
Base-Base interactions energy: -408.354
where: short stacking energy: -192.353
Base-Backbone interact. energy: -0.483
local terms energy: -198.345807
where:
bonds (distance) C4'-P energy: -41.832
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -55.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -565.385214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.385214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.385214 (E_RNA)
where:
Base-Base interactions energy: -367.674
where: short stacking energy: -166.060
Base-Backbone interact. energy: -1.615
local terms energy: -196.096636
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -53.066
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -435.611531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.611531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.611531 (E_RNA)
where:
Base-Base interactions energy: -267.111
where: short stacking energy: -114.177
Base-Backbone interact. energy: -0.870
local terms energy: -167.630906
where:
bonds (distance) C4'-P energy: -39.280
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -39.470
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -23.141
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: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -459.584387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.584387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.584387 (E_RNA)
where:
Base-Base interactions energy: -284.539
where: short stacking energy: -128.592
Base-Backbone interact. energy: -1.035
local terms energy: -174.010866
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -43.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -341.105136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.105136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.105136 (E_RNA)
where:
Base-Base interactions energy: -200.586
where: short stacking energy: -130.921
Base-Backbone interact. energy: -0.833
local terms energy: -139.686859
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -314.959458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.959458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.959458 (E_RNA)
where:
Base-Base interactions energy: -188.960
where: short stacking energy: -94.181
Base-Backbone interact. energy: 1.423
local terms energy: -127.422979
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -40.439
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -257.649264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.649264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.649264 (E_RNA)
where:
Base-Base interactions energy: -137.999
where: short stacking energy: -65.026
Base-Backbone interact. energy: -1.308
local terms energy: -118.342732
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -713.623961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.623961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.623961 (E_RNA)
where:
Base-Base interactions energy: -496.065
where: short stacking energy: -214.768
Base-Backbone interact. energy: -0.807
local terms energy: -216.752551
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -50.630
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -62.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -708.433095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.433095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.433095 (E_RNA)
where:
Base-Base interactions energy: -477.700
where: short stacking energy: -223.932
Base-Backbone interact. energy: -0.326
local terms energy: -230.406670
where:
bonds (distance) C4'-P energy: -44.981
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -46.510
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -74.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -638.094866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.094866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.094866 (E_RNA)
where:
Base-Base interactions energy: -408.679
where: short stacking energy: -172.045
Base-Backbone interact. energy: -0.106
local terms energy: -229.309889
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -58.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -581.008934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.008934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.008934 (E_RNA)
where:
Base-Base interactions energy: -380.210
where: short stacking energy: -177.064
Base-Backbone interact. energy: -1.777
local terms energy: -199.021410
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -52.452
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: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -564.879984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.879984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.879984 (E_RNA)
where:
Base-Base interactions energy: -369.998
where: short stacking energy: -148.815
Base-Backbone interact. energy: -0.605
local terms energy: -194.276539
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -41.648
flat angles P-C4'-P energy: -33.331
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -480.256148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.256148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.256148 (E_RNA)
where:
Base-Base interactions energy: -300.539
where: short stacking energy: -136.411
Base-Backbone interact. energy: -0.668
local terms energy: -179.049500
where:
bonds (distance) C4'-P energy: -43.117
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -37.204
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: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -414.897438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.897438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.897438 (E_RNA)
where:
Base-Base interactions energy: -264.788
where: short stacking energy: -124.633
Base-Backbone interact. energy: 1.201
local terms energy: -151.310064
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -46.308
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -336.006335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.006335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.006335 (E_RNA)
where:
Base-Base interactions energy: -187.535
where: short stacking energy: -90.239
Base-Backbone interact. energy: -1.766
local terms energy: -146.705432
where:
bonds (distance) C4'-P energy: -39.685
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -296.940366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.940366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.940366 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -91.765
Base-Backbone interact. energy: -0.407
local terms energy: -141.575325
where:
bonds (distance) C4'-P energy: -40.159
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -301.571786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.571786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.571786 (E_RNA)
where:
Base-Base interactions energy: -159.366
where: short stacking energy: -80.333
Base-Backbone interact. energy: 1.908
local terms energy: -144.113595
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -35.123
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -716.267825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.267825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.267825 (E_RNA)
where:
Base-Base interactions energy: -482.312
where: short stacking energy: -219.914
Base-Backbone interact. energy: -0.781
local terms energy: -233.174963
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -49.083
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -67.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -711.045316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.045316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.045316 (E_RNA)
where:
Base-Base interactions energy: -473.329
where: short stacking energy: -221.644
Base-Backbone interact. energy: -1.016
local terms energy: -236.700555
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -73.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -644.915471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.915471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.915471 (E_RNA)
where:
Base-Base interactions energy: -435.316
where: short stacking energy: -201.382
Base-Backbone interact. energy: -0.737
local terms energy: -208.863347
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -44.009
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -56.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -576.822285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.822285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.822285 (E_RNA)
where:
Base-Base interactions energy: -376.308
where: short stacking energy: -180.549
Base-Backbone interact. energy: -0.817
local terms energy: -199.697073
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -42.710
flat angles C4'-P-C4' energy: -42.840
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: -53.138
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: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -573.964562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.964562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.964562 (E_RNA)
where:
Base-Base interactions energy: -381.595
where: short stacking energy: -180.866
Base-Backbone interact. energy: -0.192
local terms energy: -192.177282
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -50.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -474.342475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.342475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.342475 (E_RNA)
where:
Base-Base interactions energy: -291.781
where: short stacking energy: -134.246
Base-Backbone interact. energy: -0.365
local terms energy: -182.197012
where:
bonds (distance) C4'-P energy: -39.518
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -40.929
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: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -436.304961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.304961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.304961 (E_RNA)
where:
Base-Base interactions energy: -271.430
where: short stacking energy: -132.214
Base-Backbone interact. energy: -1.433
local terms energy: -163.442273
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -40.668
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -22.869
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: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -357.216029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.216029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.216029 (E_RNA)
where:
Base-Base interactions energy: -214.005
where: short stacking energy: -102.649
Base-Backbone interact. energy: -2.085
local terms energy: -141.126243
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -310.881338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.881338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.881338 (E_RNA)
where:
Base-Base interactions energy: -182.477
where: short stacking energy: -107.700
Base-Backbone interact. energy: 0.410
local terms energy: -128.813930
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -307.335629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.335629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.335629 (E_RNA)
where:
Base-Base interactions energy: -191.530
where: short stacking energy: -83.918
Base-Backbone interact. energy: -1.031
local terms energy: -114.774901
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -729.690674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.690674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.690674 (E_RNA)
where:
Base-Base interactions energy: -497.304
where: short stacking energy: -209.786
Base-Backbone interact. energy: -0.226
local terms energy: -232.160943
where:
bonds (distance) C4'-P energy: -42.887
bonds (distance) P-C4' energy: -43.115
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -64.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -703.940673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.940673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.940673 (E_RNA)
where:
Base-Base interactions energy: -467.407
where: short stacking energy: -211.197
Base-Backbone interact. energy: -0.888
local terms energy: -235.645105
where:
bonds (distance) C4'-P energy: -41.428
bonds (distance) P-C4' energy: -43.587
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -68.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -648.115942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.115942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.115942 (E_RNA)
where:
Base-Base interactions energy: -435.215
where: short stacking energy: -190.088
Base-Backbone interact. energy: -0.131
local terms energy: -212.770456
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -40.738
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -33.175
tors. eta vs tors. theta energy: -61.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -605.760266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.760266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.760266 (E_RNA)
where:
Base-Base interactions energy: -395.579
where: short stacking energy: -197.545
Base-Backbone interact. energy: -0.458
local terms energy: -209.722644
where:
bonds (distance) C4'-P energy: -38.707
bonds (distance) P-C4' energy: -45.003
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -58.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -565.734617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.734617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.734617 (E_RNA)
where:
Base-Base interactions energy: -371.904
where: short stacking energy: -176.193
Base-Backbone interact. energy: -0.259
local terms energy: -193.571390
where:
bonds (distance) C4'-P energy: -37.817
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -43.071
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -50.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -473.820839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.820839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.820839 (E_RNA)
where:
Base-Base interactions energy: -271.770
where: short stacking energy: -133.989
Base-Backbone interact. energy: -0.515
local terms energy: -201.535985
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -47.776
flat angles C4'-P-C4' energy: -44.551
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -40.606
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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -419.037714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.037714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.037714 (E_RNA)
where:
Base-Base interactions energy: -265.062
where: short stacking energy: -120.321
Base-Backbone interact. energy: 1.026
local terms energy: -155.002283
where:
bonds (distance) C4'-P energy: -41.404
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -350.394133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.394133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.394133 (E_RNA)
where:
Base-Base interactions energy: -196.571
where: short stacking energy: -99.763
Base-Backbone interact. energy: -1.951
local terms energy: -151.872133
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -356.828024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.828024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.828024 (E_RNA)
where:
Base-Base interactions energy: -209.012
where: short stacking energy: -107.495
Base-Backbone interact. energy: -1.183
local terms energy: -146.632922
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -40.963
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -286.302084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.302084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.302084 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -80.993
Base-Backbone interact. energy: -1.584
local terms energy: -121.136386
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -699.177491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.177491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.177491 (E_RNA)
where:
Base-Base interactions energy: -469.184
where: short stacking energy: -202.494
Base-Backbone interact. energy: -0.674
local terms energy: -229.319279
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -61.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -702.650898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.650898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.650898 (E_RNA)
where:
Base-Base interactions energy: -479.791
where: short stacking energy: -199.924
Base-Backbone interact. energy: -0.120
local terms energy: -222.739941
where:
bonds (distance) C4'-P energy: -45.449
bonds (distance) P-C4' energy: -44.062
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -65.940
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: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -657.363966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.363966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.363966 (E_RNA)
where:
Base-Base interactions energy: -429.820
where: short stacking energy: -193.058
Base-Backbone interact. energy: 0.185
local terms energy: -227.729034
where:
bonds (distance) C4'-P energy: -41.881
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -46.109
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: -60.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -583.629640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.629640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.629640 (E_RNA)
where:
Base-Base interactions energy: -372.373
where: short stacking energy: -171.917
Base-Backbone interact. energy: -1.493
local terms energy: -209.762715
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -46.892
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -55.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -542.023231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.023231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.023231 (E_RNA)
where:
Base-Base interactions energy: -346.376
where: short stacking energy: -156.937
Base-Backbone interact. energy: -1.398
local terms energy: -194.249153
where:
bonds (distance) C4'-P energy: -45.004
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -40.365
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -456.941297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.941297 (E_RNA)
where:
Base-Base interactions energy: -280.987
where: short stacking energy: -132.380
Base-Backbone interact. energy: -0.975
local terms energy: -174.979324
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -44.368
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -384.256042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.256042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.256042 (E_RNA)
where:
Base-Base interactions energy: -234.971
where: short stacking energy: -108.818
Base-Backbone interact. energy: 1.777
local terms energy: -151.061643
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -319.603313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.603313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.603313 (E_RNA)
where:
Base-Base interactions energy: -175.378
where: short stacking energy: -98.097
Base-Backbone interact. energy: 0.317
local terms energy: -144.542835
where:
bonds (distance) C4'-P energy: -34.982
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -345.370302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.370302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.370302 (E_RNA)
where:
Base-Base interactions energy: -199.196
where: short stacking energy: -104.188
Base-Backbone interact. energy: -0.564
local terms energy: -145.610825
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -299.456932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.456932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.456932 (E_RNA)
where:
Base-Base interactions energy: -162.773
where: short stacking energy: -82.034
Base-Backbone interact. energy: 0.176
local terms energy: -136.859888
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -19.756
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: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -709.657702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.657702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.657702 (E_RNA)
where:
Base-Base interactions energy: -475.291
where: short stacking energy: -211.028
Base-Backbone interact. energy: -0.326
local terms energy: -234.041462
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -47.529
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -65.103
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -714.291813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.291813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.291813 (E_RNA)
where:
Base-Base interactions energy: -492.884
where: short stacking energy: -216.759
Base-Backbone interact. energy: -0.219
local terms energy: -221.188438
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -74.330
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: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -655.026087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.026087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.026087 (E_RNA)
where:
Base-Base interactions energy: -435.291
where: short stacking energy: -203.548
Base-Backbone interact. energy: -1.447
local terms energy: -218.288285
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -42.927
flat angles C4'-P-C4' energy: -44.258
flat angles P-C4'-P energy: -31.346
tors. eta vs tors. theta energy: -59.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -572.641399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.641399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.641399 (E_RNA)
where:
Base-Base interactions energy: -357.734
where: short stacking energy: -156.715
Base-Backbone interact. energy: -0.563
local terms energy: -214.344652
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -44.775
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -52.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -563.498385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.498385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.498385 (E_RNA)
where:
Base-Base interactions energy: -364.748
where: short stacking energy: -172.435
Base-Backbone interact. energy: -0.334
local terms energy: -198.416338
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -44.186
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -472.654118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.654118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.654118 (E_RNA)
where:
Base-Base interactions energy: -288.572
where: short stacking energy: -125.347
Base-Backbone interact. energy: -0.604
local terms energy: -183.478137
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -36.291
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: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -367.325781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.325781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.325781 (E_RNA)
where:
Base-Base interactions energy: -213.750
where: short stacking energy: -110.041
Base-Backbone interact. energy: 0.965
local terms energy: -154.540984
where:
bonds (distance) C4'-P energy: -39.068
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -335.674192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.674192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.674192 (E_RNA)
where:
Base-Base interactions energy: -191.695
where: short stacking energy: -96.766
Base-Backbone interact. energy: 0.122
local terms energy: -144.100472
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -297.859965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.859965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.859965 (E_RNA)
where:
Base-Base interactions energy: -167.051
where: short stacking energy: -93.844
Base-Backbone interact. energy: 2.257
local terms energy: -133.066501
where:
bonds (distance) C4'-P energy: -37.585
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -280.920525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.920525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.920525 (E_RNA)
where:
Base-Base interactions energy: -146.753
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.372
local terms energy: -133.795684
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -716.190727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.190727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.190727 (E_RNA)
where:
Base-Base interactions energy: -494.626
where: short stacking energy: -215.279
Base-Backbone interact. energy: -1.298
local terms energy: -220.267246
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -31.913
tors. eta vs tors. theta energy: -61.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -707.067798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.067798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.067798 (E_RNA)
where:
Base-Base interactions energy: -471.843
where: short stacking energy: -219.768
Base-Backbone interact. energy: -0.259
local terms energy: -234.966434
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -47.929
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -66.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -652.117932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.117932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.117932 (E_RNA)
where:
Base-Base interactions energy: -440.374
where: short stacking energy: -211.704
Base-Backbone interact. energy: 0.718
local terms energy: -212.461986
where:
bonds (distance) C4'-P energy: -40.500
bonds (distance) P-C4' energy: -46.978
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -59.226
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: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -583.326869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.326869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.326869 (E_RNA)
where:
Base-Base interactions energy: -366.765
where: short stacking energy: -172.996
Base-Backbone interact. energy: -0.180
local terms energy: -216.381537
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -44.863
flat angles C4'-P-C4' energy: -49.068
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -48.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -583.610940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.610940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.610940 (E_RNA)
where:
Base-Base interactions energy: -378.266
where: short stacking energy: -172.331
Base-Backbone interact. energy: -1.042
local terms energy: -204.303424
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -48.476
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -52.979
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: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -449.886902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.886902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.886902 (E_RNA)
where:
Base-Base interactions energy: -272.992
where: short stacking energy: -135.923
Base-Backbone interact. energy: 2.648
local terms energy: -179.543237
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -35.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -360.587870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.587870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.587870 (E_RNA)
where:
Base-Base interactions energy: -202.226
where: short stacking energy: -104.219
Base-Backbone interact. energy: -1.006
local terms energy: -157.355372
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -312.850406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.850406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.850406 (E_RNA)
where:
Base-Base interactions energy: -168.864
where: short stacking energy: -79.877
Base-Backbone interact. energy: 1.273
local terms energy: -145.258713
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -42.864
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -294.906083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.906083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.906083 (E_RNA)
where:
Base-Base interactions energy: -160.529
where: short stacking energy: -91.648
Base-Backbone interact. energy: -0.632
local terms energy: -133.744493
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -44.011
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -280.803815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.803815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.803815 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -95.170
Base-Backbone interact. energy: -0.735
local terms energy: -121.743190
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -739.356857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.356857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.356857 (E_RNA)
where:
Base-Base interactions energy: -497.313
where: short stacking energy: -215.248
Base-Backbone interact. energy: -0.096
local terms energy: -241.947379
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -48.218
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: -69.278
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -685.414214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.414214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.414214 (E_RNA)
where:
Base-Base interactions energy: -456.421
where: short stacking energy: -206.518
Base-Backbone interact. energy: -0.786
local terms energy: -228.206615
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -50.913
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -72.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -647.361884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.361884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.361884 (E_RNA)
where:
Base-Base interactions energy: -425.686
where: short stacking energy: -202.884
Base-Backbone interact. energy: 1.797
local terms energy: -223.472886
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -61.700
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -590.389083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.389083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.389083 (E_RNA)
where:
Base-Base interactions energy: -383.766
where: short stacking energy: -191.524
Base-Backbone interact. energy: -0.496
local terms energy: -206.127242
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -55.068
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: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -590.493858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.493858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.493858 (E_RNA)
where:
Base-Base interactions energy: -368.962
where: short stacking energy: -178.472
Base-Backbone interact. energy: 1.368
local terms energy: -222.900418
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -48.227
flat angles C4'-P-C4' energy: -42.215
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -54.350
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: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -428.187487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.187487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.187487 (E_RNA)
where:
Base-Base interactions energy: -248.510
where: short stacking energy: -123.821
Base-Backbone interact. energy: -0.888
local terms energy: -178.789439
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -33.004
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: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -367.032423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.032423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.032423 (E_RNA)
where:
Base-Base interactions energy: -212.139
where: short stacking energy: -103.353
Base-Backbone interact. energy: -0.659
local terms energy: -154.234328
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -315.639290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.639290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.639290 (E_RNA)
where:
Base-Base interactions energy: -160.793
where: short stacking energy: -98.564
Base-Backbone interact. energy: -0.151
local terms energy: -154.695595
where:
bonds (distance) C4'-P energy: -39.435
bonds (distance) P-C4' energy: -37.865
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -353.320970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.320970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.320970 (E_RNA)
where:
Base-Base interactions energy: -208.426
where: short stacking energy: -92.324
Base-Backbone interact. energy: -0.860
local terms energy: -144.034388
where:
bonds (distance) C4'-P energy: -38.563
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -333.882297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.882297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.882297 (E_RNA)
where:
Base-Base interactions energy: -191.972
where: short stacking energy: -94.965
Base-Backbone interact. energy: -0.762
local terms energy: -141.147803
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -12.143
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: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -720.359095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.359095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.359095 (E_RNA)
where:
Base-Base interactions energy: -483.383
where: short stacking energy: -219.327
Base-Backbone interact. energy: 0.889
local terms energy: -237.865333
where:
bonds (distance) C4'-P energy: -46.917
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -70.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -694.196139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.196139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.196139 (E_RNA)
where:
Base-Base interactions energy: -459.892
where: short stacking energy: -215.113
Base-Backbone interact. energy: -0.154
local terms energy: -234.149673
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -67.287
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -654.686013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.686013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.686013 (E_RNA)
where:
Base-Base interactions energy: -422.407
where: short stacking energy: -192.786
Base-Backbone interact. energy: -1.447
local terms energy: -230.832501
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -40.574
flat angles C4'-P-C4' energy: -50.592
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -64.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -558.461437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.461437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.461437 (E_RNA)
where:
Base-Base interactions energy: -364.334
where: short stacking energy: -183.754
Base-Backbone interact. energy: 0.660
local terms energy: -194.787267
where:
bonds (distance) C4'-P energy: -35.572
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -45.802
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -51.352
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: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -580.536418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.536418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.536418 (E_RNA)
where:
Base-Base interactions energy: -384.621
where: short stacking energy: -182.249
Base-Backbone interact. energy: 0.219
local terms energy: -196.133741
where:
bonds (distance) C4'-P energy: -38.709
bonds (distance) P-C4' energy: -36.902
flat angles C4'-P-C4' energy: -40.140
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -51.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -447.874478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.874478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.874478 (E_RNA)
where:
Base-Base interactions energy: -269.277
where: short stacking energy: -130.568
Base-Backbone interact. energy: 0.891
local terms energy: -179.488984
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -378.771920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.771920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.771920 (E_RNA)
where:
Base-Base interactions energy: -229.279
where: short stacking energy: -112.169
Base-Backbone interact. energy: -0.009
local terms energy: -149.484072
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -12.216
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: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -318.918511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.918511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.918511 (E_RNA)
where:
Base-Base interactions energy: -190.137
where: short stacking energy: -92.643
Base-Backbone interact. energy: 4.159
local terms energy: -132.940042
where:
bonds (distance) C4'-P energy: -30.498
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -350.683378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.683378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.683378 (E_RNA)
where:
Base-Base interactions energy: -198.545
where: short stacking energy: -97.002
Base-Backbone interact. energy: 0.586
local terms energy: -152.724514
where:
bonds (distance) C4'-P energy: -40.834
bonds (distance) P-C4' energy: -38.880
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -304.977193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.977193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.977193 (E_RNA)
where:
Base-Base interactions energy: -176.638
where: short stacking energy: -86.912
Base-Backbone interact. energy: 0.538
local terms energy: -128.877885
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -40.200
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -720.032015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.032015 (E_RNA)
where:
Base-Base interactions energy: -484.000
where: short stacking energy: -216.960
Base-Backbone interact. energy: -0.231
local terms energy: -235.800703
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -51.831
flat angles P-C4'-P energy: -31.584
tors. eta vs tors. theta energy: -67.193
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: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -696.162534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.162534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.162534 (E_RNA)
where:
Base-Base interactions energy: -465.290
where: short stacking energy: -220.245
Base-Backbone interact. energy: -0.082
local terms energy: -230.790503
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -42.819
flat angles C4'-P-C4' energy: -46.848
flat angles P-C4'-P energy: -29.997
tors. eta vs tors. theta energy: -71.774
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: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -654.455105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.455105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.455105 (E_RNA)
where:
Base-Base interactions energy: -434.685
where: short stacking energy: -217.618
Base-Backbone interact. energy: -0.292
local terms energy: -219.477795
where:
bonds (distance) C4'-P energy: -35.346
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -45.668
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -59.544
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: 81
Temperature: 1.050000
Total energy: -602.598064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.598064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.598064 (E_RNA)
where:
Base-Base interactions energy: -401.340
where: short stacking energy: -184.706
Base-Backbone interact. energy: -1.359
local terms energy: -199.899686
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -45.670
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -566.867961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.867961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.867961 (E_RNA)
where:
Base-Base interactions energy: -360.863
where: short stacking energy: -156.132
Base-Backbone interact. energy: -0.689
local terms energy: -205.316827
where:
bonds (distance) C4'-P energy: -39.145
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -44.343
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -52.165
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: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -435.245075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.245075 (E_RNA)
where:
Base-Base interactions energy: -257.739
where: short stacking energy: -116.952
Base-Backbone interact. energy: -0.478
local terms energy: -177.027632
where:
bonds (distance) C4'-P energy: -40.015
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -43.240
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -23.005
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: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -413.750700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.750700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.750700 (E_RNA)
where:
Base-Base interactions energy: -249.749
where: short stacking energy: -128.518
Base-Backbone interact. energy: 0.102
local terms energy: -164.103744
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -331.076814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.076814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.076814 (E_RNA)
where:
Base-Base interactions energy: -192.025
where: short stacking energy: -86.091
Base-Backbone interact. energy: -0.777
local terms energy: -138.274631
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -42.037
flat angles C4'-P-C4' energy: -39.350
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -267.570049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.570049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.570049 (E_RNA)
where:
Base-Base interactions energy: -142.020
where: short stacking energy: -81.860
Base-Backbone interact. energy: 4.104
local terms energy: -129.653839
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -39.138
flat angles P-C4'-P energy: -15.268
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: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -275.320492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.320492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.320492 (E_RNA)
where:
Base-Base interactions energy: -167.195
where: short stacking energy: -74.088
Base-Backbone interact. energy: -0.084
local terms energy: -108.041902
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -712.965155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.965155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.965155 (E_RNA)
where:
Base-Base interactions energy: -475.663
where: short stacking energy: -206.253
Base-Backbone interact. energy: -0.134
local terms energy: -237.168466
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -33.724
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: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -696.199292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.199292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.199292 (E_RNA)
where:
Base-Base interactions energy: -458.391
where: short stacking energy: -200.459
Base-Backbone interact. energy: -0.042
local terms energy: -237.766163
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -66.087
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -637.617274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.617274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.617274 (E_RNA)
where:
Base-Base interactions energy: -420.128
where: short stacking energy: -211.595
Base-Backbone interact. energy: -0.360
local terms energy: -217.129073
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -44.243
flat angles C4'-P-C4' energy: -48.442
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -58.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -614.438148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.438148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.438148 (E_RNA)
where:
Base-Base interactions energy: -411.657
where: short stacking energy: -185.087
Base-Backbone interact. energy: -0.614
local terms energy: -202.167652
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -59.918
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -549.282848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.282848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.282848 (E_RNA)
where:
Base-Base interactions energy: -370.097
where: short stacking energy: -175.388
Base-Backbone interact. energy: -0.296
local terms energy: -178.889735
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -38.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -402.189586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.189586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.189586 (E_RNA)
where:
Base-Base interactions energy: -240.097
where: short stacking energy: -106.303
Base-Backbone interact. energy: -1.248
local terms energy: -160.844696
where:
bonds (distance) C4'-P energy: -44.480
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -406.048042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.048042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.048042 (E_RNA)
where:
Base-Base interactions energy: -252.087
where: short stacking energy: -128.900
Base-Backbone interact. energy: 0.339
local terms energy: -154.299575
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -40.560
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -382.826654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.826654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.826654 (E_RNA)
where:
Base-Base interactions energy: -217.315
where: short stacking energy: -112.577
Base-Backbone interact. energy: -1.279
local terms energy: -164.232783
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -44.351
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -29.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -267.901182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.901182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.901182 (E_RNA)
where:
Base-Base interactions energy: -133.938
where: short stacking energy: -77.023
Base-Backbone interact. energy: 1.192
local terms energy: -135.155134
where:
bonds (distance) C4'-P energy: -35.317
bonds (distance) P-C4' energy: -44.196
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -276.932075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.932075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.932075 (E_RNA)
where:
Base-Base interactions energy: -135.240
where: short stacking energy: -83.281
Base-Backbone interact. energy: 0.254
local terms energy: -141.946234
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -730.450201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.450201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.450201 (E_RNA)
where:
Base-Base interactions energy: -492.337
where: short stacking energy: -212.811
Base-Backbone interact. energy: -1.113
local terms energy: -236.999930
where:
bonds (distance) C4'-P energy: -45.187
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -44.237
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -64.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -698.678632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.678632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.678632 (E_RNA)
where:
Base-Base interactions energy: -477.641
where: short stacking energy: -214.518
Base-Backbone interact. energy: -0.085
local terms energy: -220.953000
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -64.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -639.697985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.697985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.697985 (E_RNA)
where:
Base-Base interactions energy: -422.464
where: short stacking energy: -199.383
Base-Backbone interact. energy: -0.136
local terms energy: -217.098423
where:
bonds (distance) C4'-P energy: -36.076
bonds (distance) P-C4' energy: -41.418
flat angles C4'-P-C4' energy: -44.757
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -58.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -575.767109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.767109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.767109 (E_RNA)
where:
Base-Base interactions energy: -375.458
where: short stacking energy: -174.198
Base-Backbone interact. energy: -1.032
local terms energy: -199.276902
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -47.915
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -42.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -566.813780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.813780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.813780 (E_RNA)
where:
Base-Base interactions energy: -373.953
where: short stacking energy: -170.594
Base-Backbone interact. energy: -0.484
local terms energy: -192.376630
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -41.366
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -44.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -419.399101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.399101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.399101 (E_RNA)
where:
Base-Base interactions energy: -251.247
where: short stacking energy: -124.821
Base-Backbone interact. energy: -0.678
local terms energy: -167.474242
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -44.276
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -421.329871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.329871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.329871 (E_RNA)
where:
Base-Base interactions energy: -254.938
where: short stacking energy: -103.681
Base-Backbone interact. energy: 0.834
local terms energy: -167.225521
where:
bonds (distance) C4'-P energy: -38.366
bonds (distance) P-C4' energy: -42.856
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -399.763950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.763950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.763950 (E_RNA)
where:
Base-Base interactions energy: -239.531
where: short stacking energy: -117.824
Base-Backbone interact. energy: -0.471
local terms energy: -159.761490
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -20.871
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: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -314.282099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.282099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.282099 (E_RNA)
where:
Base-Base interactions energy: -176.661
where: short stacking energy: -82.954
Base-Backbone interact. energy: -0.994
local terms energy: -136.626448
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -291.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.905853 (E_RNA)
where:
Base-Base interactions energy: -151.932
where: short stacking energy: -90.679
Base-Backbone interact. energy: -0.545
local terms energy: -139.428856
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -719.611714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.611714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.611714 (E_RNA)
where:
Base-Base interactions energy: -478.937
where: short stacking energy: -205.847
Base-Backbone interact. energy: 3.585
local terms energy: -244.259896
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -45.799
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -70.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -697.649261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.649261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.649261 (E_RNA)
where:
Base-Base interactions energy: -458.976
where: short stacking energy: -203.266
Base-Backbone interact. energy: -0.617
local terms energy: -238.056509
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -34.429
tors. eta vs tors. theta energy: -71.244
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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -649.942588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.942588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.942588 (E_RNA)
where:
Base-Base interactions energy: -430.937
where: short stacking energy: -205.375
Base-Backbone interact. energy: -0.258
local terms energy: -218.747695
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -39.808
flat angles C4'-P-C4' energy: -41.838
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -61.860
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -572.462457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.462457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.462457 (E_RNA)
where:
Base-Base interactions energy: -370.926
where: short stacking energy: -176.789
Base-Backbone interact. energy: -0.250
local terms energy: -201.287005
where:
bonds (distance) C4'-P energy: -42.436
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -45.053
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: 84
Temperature: 1.100000
Total energy: -572.085489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.085489 (E_RNA)
where:
Base-Base interactions energy: -379.107
where: short stacking energy: -185.619
Base-Backbone interact. energy: -0.598
local terms energy: -192.380413
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -54.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -444.998969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.998969 (E_RNA)
where:
Base-Base interactions energy: -261.507
where: short stacking energy: -134.183
Base-Backbone interact. energy: -1.507
local terms energy: -181.985735
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -41.714
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -31.166
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: 84
Temperature: 1.200000
Total energy: -409.441858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.441858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.441858 (E_RNA)
where:
Base-Base interactions energy: -255.073
where: short stacking energy: -119.188
Base-Backbone interact. energy: 0.865
local terms energy: -155.233953
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -364.976182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.976182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.976182 (E_RNA)
where:
Base-Base interactions energy: -208.221
where: short stacking energy: -94.082
Base-Backbone interact. energy: -0.701
local terms energy: -156.054373
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -27.672
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -276.796328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.796328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.796328 (E_RNA)
where:
Base-Base interactions energy: -147.160
where: short stacking energy: -80.638
Base-Backbone interact. energy: -0.821
local terms energy: -128.815350
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -308.696347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.696347 (E_RNA)
where:
Base-Base interactions energy: -196.055
where: short stacking energy: -95.295
Base-Backbone interact. energy: 0.043
local terms energy: -112.683988
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -720.795256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.795256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.795256 (E_RNA)
where:
Base-Base interactions energy: -479.200
where: short stacking energy: -217.178
Base-Backbone interact. energy: -0.434
local terms energy: -241.161698
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: -72.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -690.545618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.545618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.545618 (E_RNA)
where:
Base-Base interactions energy: -460.385
where: short stacking energy: -204.914
Base-Backbone interact. energy: -0.646
local terms energy: -229.514130
where:
bonds (distance) C4'-P energy: -40.913
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -42.326
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -70.161
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: 85
Temperature: 1.000000
Total energy: -635.056794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.056794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.056794 (E_RNA)
where:
Base-Base interactions energy: -411.456
where: short stacking energy: -202.333
Base-Backbone interact. energy: -0.594
local terms energy: -223.006337
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -50.195
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -63.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -589.364256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.364256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.364256 (E_RNA)
where:
Base-Base interactions energy: -368.127
where: short stacking energy: -173.041
Base-Backbone interact. energy: -0.386
local terms energy: -220.850829
where:
bonds (distance) C4'-P energy: -39.226
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -53.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -558.208216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.208216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.208216 (E_RNA)
where:
Base-Base interactions energy: -363.623
where: short stacking energy: -181.207
Base-Backbone interact. energy: -1.493
local terms energy: -193.092748
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -41.996
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -49.435
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: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -502.407721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.407721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.407721 (E_RNA)
where:
Base-Base interactions energy: -310.358
where: short stacking energy: -142.886
Base-Backbone interact. energy: 2.183
local terms energy: -194.232754
where:
bonds (distance) C4'-P energy: -36.753
bonds (distance) P-C4' energy: -42.071
flat angles C4'-P-C4' energy: -41.892
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -51.946
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -411.552870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.552870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.552870 (E_RNA)
where:
Base-Base interactions energy: -253.762
where: short stacking energy: -116.682
Base-Backbone interact. energy: 0.527
local terms energy: -158.317713
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -33.069
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -383.358076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.358076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.358076 (E_RNA)
where:
Base-Base interactions energy: -231.921
where: short stacking energy: -109.858
Base-Backbone interact. energy: 1.452
local terms energy: -152.888552
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -36.397
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -323.031426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.031426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.031426 (E_RNA)
where:
Base-Base interactions energy: -190.414
where: short stacking energy: -95.308
Base-Backbone interact. energy: 3.302
local terms energy: -135.919107
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -10.130
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: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -305.600616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.600616 (E_RNA)
where:
Base-Base interactions energy: -174.405
where: short stacking energy: -86.015
Base-Backbone interact. energy: -1.632
local terms energy: -129.563068
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -732.098348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.098348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.098348 (E_RNA)
where:
Base-Base interactions energy: -493.747
where: short stacking energy: -210.850
Base-Backbone interact. energy: -0.079
local terms energy: -238.272954
where:
bonds (distance) C4'-P energy: -44.004
bonds (distance) P-C4' energy: -44.346
flat angles C4'-P-C4' energy: -45.082
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -69.917
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: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -724.660099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.660099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.660099 (E_RNA)
where:
Base-Base interactions energy: -479.035
where: short stacking energy: -226.599
Base-Backbone interact. energy: -1.144
local terms energy: -244.481153
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -45.145
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -31.581
tors. eta vs tors. theta energy: -71.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -609.532296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.532296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.532296 (E_RNA)
where:
Base-Base interactions energy: -395.822
where: short stacking energy: -199.489
Base-Backbone interact. energy: -1.331
local terms energy: -212.379591
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -44.334
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -59.063
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -618.330532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.330532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.330532 (E_RNA)
where:
Base-Base interactions energy: -408.187
where: short stacking energy: -189.307
Base-Backbone interact. energy: -0.309
local terms energy: -209.834998
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -39.003
flat angles C4'-P-C4' energy: -52.652
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -54.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -509.616370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.616370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.616370 (E_RNA)
where:
Base-Base interactions energy: -326.665
where: short stacking energy: -163.737
Base-Backbone interact. energy: -0.522
local terms energy: -182.428787
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -48.021
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -511.532196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.532196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.532196 (E_RNA)
where:
Base-Base interactions energy: -332.018
where: short stacking energy: -161.737
Base-Backbone interact. energy: -0.340
local terms energy: -179.174140
where:
bonds (distance) C4'-P energy: -33.563
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -43.416
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -41.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -391.125973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.125973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.125973 (E_RNA)
where:
Base-Base interactions energy: -242.157
where: short stacking energy: -103.005
Base-Backbone interact. energy: 1.655
local terms energy: -150.623469
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -374.773641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.773641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.773641 (E_RNA)
where:
Base-Base interactions energy: -224.529
where: short stacking energy: -108.636
Base-Backbone interact. energy: -2.811
local terms energy: -147.434066
where:
bonds (distance) C4'-P energy: -38.119
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -336.522910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.522910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.522910 (E_RNA)
where:
Base-Base interactions energy: -192.873
where: short stacking energy: -105.433
Base-Backbone interact. energy: -1.126
local terms energy: -142.523710
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -285.086413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.086413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.086413 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.820
local terms energy: -136.489196
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -733.173318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.173318 (E_RNA)
where:
Base-Base interactions energy: -502.867
where: short stacking energy: -229.336
Base-Backbone interact. energy: -1.000
local terms energy: -229.307030
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -72.297
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: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -692.262899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.262899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.262899 (E_RNA)
where:
Base-Base interactions energy: -467.089
where: short stacking energy: -205.714
Base-Backbone interact. energy: -0.093
local terms energy: -225.081109
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -44.036
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -67.808
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: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -618.929240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.929240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.929240 (E_RNA)
where:
Base-Base interactions energy: -405.382
where: short stacking energy: -196.148
Base-Backbone interact. energy: 2.695
local terms energy: -216.242004
where:
bonds (distance) C4'-P energy: -40.538
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -49.383
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -57.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -617.279765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.279765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.279765 (E_RNA)
where:
Base-Base interactions energy: -396.127
where: short stacking energy: -183.780
Base-Backbone interact. energy: -0.864
local terms energy: -220.288834
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -51.819
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -56.469
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -530.020613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.020613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.020613 (E_RNA)
where:
Base-Base interactions energy: -324.225
where: short stacking energy: -174.834
Base-Backbone interact. energy: -0.615
local terms energy: -205.180457
where:
bonds (distance) C4'-P energy: -35.495
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -41.675
flat angles P-C4'-P energy: -31.491
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: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -519.229291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.229291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.229291 (E_RNA)
where:
Base-Base interactions energy: -342.420
where: short stacking energy: -169.373
Base-Backbone interact. energy: -0.209
local terms energy: -176.600311
where:
bonds (distance) C4'-P energy: -34.833
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -39.471
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -41.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -389.226970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.226970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.226970 (E_RNA)
where:
Base-Base interactions energy: -228.400
where: short stacking energy: -93.518
Base-Backbone interact. energy: -2.292
local terms energy: -158.535531
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -39.017
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -405.851767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.851767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.851767 (E_RNA)
where:
Base-Base interactions energy: -238.821
where: short stacking energy: -122.223
Base-Backbone interact. energy: -1.174
local terms energy: -165.856410
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -31.702
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -379.901733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.901733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.901733 (E_RNA)
where:
Base-Base interactions energy: -234.458
where: short stacking energy: -112.145
Base-Backbone interact. energy: 0.115
local terms energy: -145.558595
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -39.121
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -278.160528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.160528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.160528 (E_RNA)
where:
Base-Base interactions energy: -151.651
where: short stacking energy: -90.053
Base-Backbone interact. energy: 2.827
local terms energy: -129.336195
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -743.322706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.322706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.322706 (E_RNA)
where:
Base-Base interactions energy: -489.517
where: short stacking energy: -216.610
Base-Backbone interact. energy: -0.852
local terms energy: -252.953690
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -71.979
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: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -697.279700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.279700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.279700 (E_RNA)
where:
Base-Base interactions energy: -477.353
where: short stacking energy: -222.007
Base-Backbone interact. energy: -0.097
local terms energy: -219.829525
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -38.536
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -633.627609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.627609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.627609 (E_RNA)
where:
Base-Base interactions energy: -411.500
where: short stacking energy: -193.561
Base-Backbone interact. energy: -0.496
local terms energy: -221.632086
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -49.162
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -58.343
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: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -613.756915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.756915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.756915 (E_RNA)
where:
Base-Base interactions energy: -402.868
where: short stacking energy: -191.222
Base-Backbone interact. energy: -0.351
local terms energy: -210.537803
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -40.761
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -60.312
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: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -535.717410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.717410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.717410 (E_RNA)
where:
Base-Base interactions energy: -364.205
where: short stacking energy: -166.383
Base-Backbone interact. energy: -1.647
local terms energy: -169.865527
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -44.176
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: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -489.309409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.309409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.309409 (E_RNA)
where:
Base-Base interactions energy: -319.419
where: short stacking energy: -150.230
Base-Backbone interact. energy: 2.524
local terms energy: -172.414530
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -38.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -397.426198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.426198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.426198 (E_RNA)
where:
Base-Base interactions energy: -246.217
where: short stacking energy: -131.177
Base-Backbone interact. energy: 1.397
local terms energy: -152.606266
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -350.275119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.275119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.275119 (E_RNA)
where:
Base-Base interactions energy: -210.482
where: short stacking energy: -95.216
Base-Backbone interact. energy: -0.846
local terms energy: -138.947518
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -371.239168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.239168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.239168 (E_RNA)
where:
Base-Base interactions energy: -236.806
where: short stacking energy: -112.301
Base-Backbone interact. energy: 1.286
local terms energy: -135.719836
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -251.265388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.265388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.265388 (E_RNA)
where:
Base-Base interactions energy: -124.112
where: short stacking energy: -61.855
Base-Backbone interact. energy: -0.499
local terms energy: -126.654158
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -721.442895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.442895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.442895 (E_RNA)
where:
Base-Base interactions energy: -488.077
where: short stacking energy: -210.987
Base-Backbone interact. energy: -0.505
local terms energy: -232.860147
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -68.550
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: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -647.623334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.623334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.623334 (E_RNA)
where:
Base-Base interactions energy: -425.805
where: short stacking energy: -194.131
Base-Backbone interact. energy: -2.932
local terms energy: -218.886074
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -43.248
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -59.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -673.932327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.932327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.932327 (E_RNA)
where:
Base-Base interactions energy: -440.059
where: short stacking energy: -212.457
Base-Backbone interact. energy: 0.335
local terms energy: -234.207972
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -45.465
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -71.431
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: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -608.605870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.605870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.605870 (E_RNA)
where:
Base-Base interactions energy: -399.081
where: short stacking energy: -186.472
Base-Backbone interact. energy: -0.076
local terms energy: -209.448779
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -42.476
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: -52.134
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -504.350096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.350096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.350096 (E_RNA)
where:
Base-Base interactions energy: -341.302
where: short stacking energy: -155.355
Base-Backbone interact. energy: 0.148
local terms energy: -163.196406
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -30.603
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: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -429.508569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.508569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.508569 (E_RNA)
where:
Base-Base interactions energy: -241.473
where: short stacking energy: -118.207
Base-Backbone interact. energy: -0.696
local terms energy: -187.340003
where:
bonds (distance) C4'-P energy: -38.599
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -27.443
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: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -433.039176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.039176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.039176 (E_RNA)
where:
Base-Base interactions energy: -253.802
where: short stacking energy: -122.400
Base-Backbone interact. energy: -0.266
local terms energy: -178.971497
where:
bonds (distance) C4'-P energy: -39.265
bonds (distance) P-C4' energy: -41.579
flat angles C4'-P-C4' energy: -40.852
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -31.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -390.666414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.666414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.666414 (E_RNA)
where:
Base-Base interactions energy: -235.943
where: short stacking energy: -114.335
Base-Backbone interact. energy: -1.154
local terms energy: -153.569142
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -19.376
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: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -340.447325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.447325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.447325 (E_RNA)
where:
Base-Base interactions energy: -203.902
where: short stacking energy: -109.966
Base-Backbone interact. energy: 0.961
local terms energy: -137.506217
where:
bonds (distance) C4'-P energy: -26.686
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -26.411
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: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -279.550291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.550291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.550291 (E_RNA)
where:
Base-Base interactions energy: -131.531
where: short stacking energy: -66.611
Base-Backbone interact. energy: -0.572
local terms energy: -147.447647
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -736.071183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.071183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.071183 (E_RNA)
where:
Base-Base interactions energy: -505.814
where: short stacking energy: -226.549
Base-Backbone interact. energy: -0.098
local terms energy: -230.159046
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -73.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -637.532769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.532769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.532769 (E_RNA)
where:
Base-Base interactions energy: -412.746
where: short stacking energy: -202.768
Base-Backbone interact. energy: -0.155
local terms energy: -224.631699
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -66.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -684.512877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.512877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.512877 (E_RNA)
where:
Base-Base interactions energy: -463.688
where: short stacking energy: -203.195
Base-Backbone interact. energy: -1.763
local terms energy: -219.061631
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -41.203
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -68.555
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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -608.506666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.506666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.506666 (E_RNA)
where:
Base-Base interactions energy: -405.390
where: short stacking energy: -183.936
Base-Backbone interact. energy: -0.044
local terms energy: -203.072779
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -56.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -518.436182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.436182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.436182 (E_RNA)
where:
Base-Base interactions energy: -336.879
where: short stacking energy: -149.287
Base-Backbone interact. energy: -0.460
local terms energy: -181.097447
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -42.245
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -42.624
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: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -420.063799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.063799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.063799 (E_RNA)
where:
Base-Base interactions energy: -255.138
where: short stacking energy: -107.561
Base-Backbone interact. energy: -1.296
local terms energy: -163.629981
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -465.099350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.099350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.099350 (E_RNA)
where:
Base-Base interactions energy: -294.305
where: short stacking energy: -141.390
Base-Backbone interact. energy: -0.744
local terms energy: -170.049807
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -41.652
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -32.345
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: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -412.521150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.521150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.521150 (E_RNA)
where:
Base-Base interactions energy: -253.592
where: short stacking energy: -120.533
Base-Backbone interact. energy: -1.688
local terms energy: -157.240895
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -27.499
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: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -355.745639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.745639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.745639 (E_RNA)
where:
Base-Base interactions energy: -197.337
where: short stacking energy: -111.064
Base-Backbone interact. energy: -0.433
local terms energy: -157.975180
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -43.233
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -30.448
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -300.019871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.019871 (E_RNA)
where:
Base-Base interactions energy: -152.311
where: short stacking energy: -65.350
Base-Backbone interact. energy: -3.001
local terms energy: -144.708009
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -732.779009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.779009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.779009 (E_RNA)
where:
Base-Base interactions energy: -494.287
where: short stacking energy: -218.750
Base-Backbone interact. energy: -0.059
local terms energy: -238.433069
where:
bonds (distance) C4'-P energy: -39.525
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -44.556
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -673.319397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.319397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.319397 (E_RNA)
where:
Base-Base interactions energy: -443.217
where: short stacking energy: -201.383
Base-Backbone interact. energy: -0.134
local terms energy: -229.968234
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -45.490
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -62.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -613.970720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.970720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.970720 (E_RNA)
where:
Base-Base interactions energy: -408.273
where: short stacking energy: -193.927
Base-Backbone interact. energy: 2.080
local terms energy: -207.777833
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -56.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -593.964996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.964996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.964996 (E_RNA)
where:
Base-Base interactions energy: -380.825
where: short stacking energy: -173.912
Base-Backbone interact. energy: -1.054
local terms energy: -212.086031
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -39.688
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -50.780
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: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -518.635136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.635136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.635136 (E_RNA)
where:
Base-Base interactions energy: -352.546
where: short stacking energy: -169.565
Base-Backbone interact. energy: 2.828
local terms energy: -168.916590
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -506.759586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.759586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.759586 (E_RNA)
where:
Base-Base interactions energy: -311.890
where: short stacking energy: -147.550
Base-Backbone interact. energy: -1.886
local terms energy: -192.983923
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -48.152
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -43.636
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: 91
Temperature: 1.200000
Total energy: -429.225335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.225335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.225335 (E_RNA)
where:
Base-Base interactions energy: -276.074
where: short stacking energy: -105.434
Base-Backbone interact. energy: -0.798
local terms energy: -152.353776
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -17.823
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: 91
Temperature: 1.250000
Total energy: -366.500688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.500688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.500688 (E_RNA)
where:
Base-Base interactions energy: -208.319
where: short stacking energy: -116.488
Base-Backbone interact. energy: 2.061
local terms energy: -160.242739
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -40.287
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -419.792401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.792401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.792401 (E_RNA)
where:
Base-Base interactions energy: -275.925
where: short stacking energy: -114.965
Base-Backbone interact. energy: 0.776
local terms energy: -144.644184
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -264.749187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.749187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.749187 (E_RNA)
where:
Base-Base interactions energy: -130.484
where: short stacking energy: -64.725
Base-Backbone interact. energy: 0.452
local terms energy: -134.717296
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -721.871510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.871510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.871510 (E_RNA)
where:
Base-Base interactions energy: -479.666
where: short stacking energy: -216.797
Base-Backbone interact. energy: -0.865
local terms energy: -241.340606
where:
bonds (distance) C4'-P energy: -44.366
bonds (distance) P-C4' energy: -46.589
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -78.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -682.987163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.987163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.987163 (E_RNA)
where:
Base-Base interactions energy: -450.685
where: short stacking energy: -207.926
Base-Backbone interact. energy: -1.006
local terms energy: -231.296090
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -37.650
flat angles C4'-P-C4' energy: -48.643
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -621.565354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.565354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.565354 (E_RNA)
where:
Base-Base interactions energy: -405.844
where: short stacking energy: -184.611
Base-Backbone interact. energy: -1.495
local terms energy: -214.225649
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -55.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -575.752821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.752821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.752821 (E_RNA)
where:
Base-Base interactions energy: -366.176
where: short stacking energy: -181.336
Base-Backbone interact. energy: -1.609
local terms energy: -207.967929
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -49.517
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -554.576117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.576117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.576117 (E_RNA)
where:
Base-Base interactions energy: -359.003
where: short stacking energy: -171.626
Base-Backbone interact. energy: 1.574
local terms energy: -197.147257
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -32.297
tors. eta vs tors. theta energy: -36.530
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: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -500.823484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.823484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.823484 (E_RNA)
where:
Base-Base interactions energy: -330.099
where: short stacking energy: -146.704
Base-Backbone interact. energy: 0.478
local terms energy: -171.202991
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -40.777
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -39.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -403.744786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.744786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.744786 (E_RNA)
where:
Base-Base interactions energy: -248.501
where: short stacking energy: -117.424
Base-Backbone interact. energy: -0.404
local terms energy: -154.839832
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -345.073879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.073879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.073879 (E_RNA)
where:
Base-Base interactions energy: -195.829
where: short stacking energy: -97.581
Base-Backbone interact. energy: -0.466
local terms energy: -148.779291
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -23.289
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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -389.823136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.823136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.823136 (E_RNA)
where:
Base-Base interactions energy: -238.518
where: short stacking energy: -106.710
Base-Backbone interact. energy: -1.525
local terms energy: -149.780068
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -244.826072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.826072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.826072 (E_RNA)
where:
Base-Base interactions energy: -120.464
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.628
local terms energy: -123.734052
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: 4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -738.391615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.391615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.391615 (E_RNA)
where:
Base-Base interactions energy: -487.056
where: short stacking energy: -228.556
Base-Backbone interact. energy: -0.013
local terms energy: -251.322778
where:
bonds (distance) C4'-P energy: -45.133
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -49.973
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -71.893
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -687.272154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.272154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.272154 (E_RNA)
where:
Base-Base interactions energy: -453.662
where: short stacking energy: -209.362
Base-Backbone interact. energy: -0.255
local terms energy: -233.354438
where:
bonds (distance) C4'-P energy: -39.057
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -47.427
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -66.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -614.543644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.543644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.543644 (E_RNA)
where:
Base-Base interactions energy: -405.573
where: short stacking energy: -186.136
Base-Backbone interact. energy: -0.922
local terms energy: -208.047947
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -43.747
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -51.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -598.315449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.315449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.315449 (E_RNA)
where:
Base-Base interactions energy: -399.550
where: short stacking energy: -175.926
Base-Backbone interact. energy: -1.148
local terms energy: -197.617445
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -50.436
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: 93
Temperature: 1.100000
Total energy: -583.508003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.508003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.508003 (E_RNA)
where:
Base-Base interactions energy: -375.201
where: short stacking energy: -167.585
Base-Backbone interact. energy: -0.240
local terms energy: -208.067283
where:
bonds (distance) C4'-P energy: -38.384
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -43.879
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -46.492
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: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -488.070512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.070512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.070512 (E_RNA)
where:
Base-Base interactions energy: -303.938
where: short stacking energy: -142.580
Base-Backbone interact. energy: 4.615
local terms energy: -188.747110
where:
bonds (distance) C4'-P energy: -39.253
bonds (distance) P-C4' energy: -45.378
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -40.600
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: 93
Temperature: 1.200000
Total energy: -426.337573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.337573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.337573 (E_RNA)
where:
Base-Base interactions energy: -261.771
where: short stacking energy: -137.807
Base-Backbone interact. energy: 1.005
local terms energy: -165.572209
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: -26.621
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: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -384.398697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.398697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.398697 (E_RNA)
where:
Base-Base interactions energy: -228.329
where: short stacking energy: -110.675
Base-Backbone interact. energy: -0.526
local terms energy: -155.543694
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -37.320
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -322.190774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.190774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.190774 (E_RNA)
where:
Base-Base interactions energy: -175.491
where: short stacking energy: -82.849
Base-Backbone interact. energy: 0.673
local terms energy: -147.372897
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -251.153684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.153684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.153684 (E_RNA)
where:
Base-Base interactions energy: -126.863
where: short stacking energy: -80.202
Base-Backbone interact. energy: 3.224
local terms energy: -127.514800
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -18.561
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -742.351892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.351892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.351892 (E_RNA)
where:
Base-Base interactions energy: -489.150
where: short stacking energy: -223.351
Base-Backbone interact. energy: -1.260
local terms energy: -251.942099
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -50.877
flat angles P-C4'-P energy: -36.225
tors. eta vs tors. theta energy: -75.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -701.560469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.560469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.560469 (E_RNA)
where:
Base-Base interactions energy: -480.752
where: short stacking energy: -221.851
Base-Backbone interact. energy: 0.635
local terms energy: -221.444436
where:
bonds (distance) C4'-P energy: -36.806
bonds (distance) P-C4' energy: -44.455
flat angles C4'-P-C4' energy: -43.094
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -71.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -624.757955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.757955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.757955 (E_RNA)
where:
Base-Base interactions energy: -418.755
where: short stacking energy: -188.052
Base-Backbone interact. energy: -0.252
local terms energy: -205.751099
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -39.653
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -59.669
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: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -624.932750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.932750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.932750 (E_RNA)
where:
Base-Base interactions energy: -406.929
where: short stacking energy: -186.732
Base-Backbone interact. energy: -0.957
local terms energy: -217.046898
where:
bonds (distance) C4'-P energy: -38.121
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -64.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -588.597945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.597945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.597945 (E_RNA)
where:
Base-Base interactions energy: -387.635
where: short stacking energy: -165.605
Base-Backbone interact. energy: 0.166
local terms energy: -201.129559
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -40.186
flat angles P-C4'-P energy: -36.835
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -492.268289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.268289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.268289 (E_RNA)
where:
Base-Base interactions energy: -330.805
where: short stacking energy: -149.615
Base-Backbone interact. energy: -1.003
local terms energy: -160.460176
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -42.914
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -408.823653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.823653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.823653 (E_RNA)
where:
Base-Base interactions energy: -249.752
where: short stacking energy: -115.539
Base-Backbone interact. energy: -0.935
local terms energy: -158.135970
where:
bonds (distance) C4'-P energy: -38.620
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -32.162
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -395.475499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.475499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.475499 (E_RNA)
where:
Base-Base interactions energy: -246.731
where: short stacking energy: -106.536
Base-Backbone interact. energy: -0.829
local terms energy: -147.915795
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -22.535
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -254.743806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.743806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.743806 (E_RNA)
where:
Base-Base interactions energy: -117.929
where: short stacking energy: -65.601
Base-Backbone interact. energy: 1.390
local terms energy: -138.205177
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -4.839
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: 94
Temperature: 1.350000
Total energy: -299.408167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.408167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.408167 (E_RNA)
where:
Base-Base interactions energy: -165.774
where: short stacking energy: -84.007
Base-Backbone interact. energy: -0.939
local terms energy: -132.695263
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -4.078
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -748.231992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.231992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.231992 (E_RNA)
where:
Base-Base interactions energy: -507.732
where: short stacking energy: -231.089
Base-Backbone interact. energy: 1.558
local terms energy: -242.058773
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -45.056
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: -80.793
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: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -711.281345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.281345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.281345 (E_RNA)
where:
Base-Base interactions energy: -482.915
where: short stacking energy: -226.866
Base-Backbone interact. energy: -0.636
local terms energy: -227.730897
where:
bonds (distance) C4'-P energy: -44.020
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -31.094
tors. eta vs tors. theta energy: -73.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -624.461160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.461160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.461160 (E_RNA)
where:
Base-Base interactions energy: -417.127
where: short stacking energy: -187.088
Base-Backbone interact. energy: -0.138
local terms energy: -207.195888
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -54.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -625.829437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.829437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.829437 (E_RNA)
where:
Base-Base interactions energy: -401.227
where: short stacking energy: -188.826
Base-Backbone interact. energy: 0.940
local terms energy: -225.541635
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -41.999
flat angles C4'-P-C4' energy: -42.272
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -59.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -558.896264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.896264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.896264 (E_RNA)
where:
Base-Base interactions energy: -365.464
where: short stacking energy: -157.871
Base-Backbone interact. energy: -0.734
local terms energy: -192.698126
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -30.137
tors. eta vs tors. theta energy: -48.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -511.274427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.274427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.274427 (E_RNA)
where:
Base-Base interactions energy: -328.502
where: short stacking energy: -138.883
Base-Backbone interact. energy: 1.696
local terms energy: -184.468118
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -38.180
flat angles C4'-P-C4' energy: -39.985
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -44.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -383.121514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.121514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.121514 (E_RNA)
where:
Base-Base interactions energy: -225.395
where: short stacking energy: -117.125
Base-Backbone interact. energy: -1.867
local terms energy: -155.859979
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -334.129252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.129252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.129252 (E_RNA)
where:
Base-Base interactions energy: -189.820
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.228
local terms energy: -144.081340
where:
bonds (distance) C4'-P energy: -38.409
bonds (distance) P-C4' energy: -42.677
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -263.611031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.611031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.611031 (E_RNA)
where:
Base-Base interactions energy: -133.704
where: short stacking energy: -69.888
Base-Backbone interact. energy: -2.390
local terms energy: -127.516474
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -299.563478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.563478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.563478 (E_RNA)
where:
Base-Base interactions energy: -174.450
where: short stacking energy: -85.959
Base-Backbone interact. energy: -0.250
local terms energy: -124.863204
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -735.914308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.914308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.914308 (E_RNA)
where:
Base-Base interactions energy: -490.652
where: short stacking energy: -214.236
Base-Backbone interact. energy: -0.165
local terms energy: -245.097515
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -76.446
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -696.445767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.445767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.445767 (E_RNA)
where:
Base-Base interactions energy: -460.379
where: short stacking energy: -219.475
Base-Backbone interact. energy: -2.235
local terms energy: -233.832063
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -46.937
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -73.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -655.417499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.417499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.417499 (E_RNA)
where:
Base-Base interactions energy: -419.348
where: short stacking energy: -197.079
Base-Backbone interact. energy: 0.130
local terms energy: -236.199562
where:
bonds (distance) C4'-P energy: -39.609
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -51.286
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -64.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -597.858713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.858713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.858713 (E_RNA)
where:
Base-Base interactions energy: -395.732
where: short stacking energy: -176.972
Base-Backbone interact. energy: -0.977
local terms energy: -201.149871
where:
bonds (distance) C4'-P energy: -37.907
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -41.459
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -503.061054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.061054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.061054 (E_RNA)
where:
Base-Base interactions energy: -310.819
where: short stacking energy: -129.310
Base-Backbone interact. energy: -1.528
local terms energy: -190.714423
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -39.169
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -519.803845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.803845 (E_RNA)
where:
Base-Base interactions energy: -337.916
where: short stacking energy: -157.217
Base-Backbone interact. energy: -1.498
local terms energy: -180.390135
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -43.086
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -46.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -419.511950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.511950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.511950 (E_RNA)
where:
Base-Base interactions energy: -266.655
where: short stacking energy: -114.396
Base-Backbone interact. energy: -0.968
local terms energy: -151.889404
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -37.310
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -26.990
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: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -342.990298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.990298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.990298 (E_RNA)
where:
Base-Base interactions energy: -185.588
where: short stacking energy: -97.369
Base-Backbone interact. energy: -0.722
local terms energy: -156.679417
where:
bonds (distance) C4'-P energy: -38.459
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -284.134324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.134324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.134324 (E_RNA)
where:
Base-Base interactions energy: -143.090
where: short stacking energy: -88.794
Base-Backbone interact. energy: 0.042
local terms energy: -141.085905
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -244.611494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.611494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.611494 (E_RNA)
where:
Base-Base interactions energy: -119.781
where: short stacking energy: -75.565
Base-Backbone interact. energy: -1.574
local terms energy: -123.256192
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -6.755
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -726.523478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.523478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.523478 (E_RNA)
where:
Base-Base interactions energy: -491.489
where: short stacking energy: -223.907
Base-Backbone interact. energy: -0.687
local terms energy: -234.347546
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -67.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -711.556126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.556126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.556126 (E_RNA)
where:
Base-Base interactions energy: -471.456
where: short stacking energy: -217.992
Base-Backbone interact. energy: -0.014
local terms energy: -240.085730
where:
bonds (distance) C4'-P energy: -42.571
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -48.999
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -73.857
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: 3, replica: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -648.080472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.080472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.080472 (E_RNA)
where:
Base-Base interactions energy: -433.866
where: short stacking energy: -209.995
Base-Backbone interact. energy: -0.166
local terms energy: -214.048018
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -28.499
tors. eta vs tors. theta energy: -57.960
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -656.450072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.450072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.450072 (E_RNA)
where:
Base-Base interactions energy: -446.416
where: short stacking energy: -194.735
Base-Backbone interact. energy: -0.332
local terms energy: -209.702347
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -42.330
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -54.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -539.394834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.394834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.394834 (E_RNA)
where:
Base-Base interactions energy: -346.703
where: short stacking energy: -169.658
Base-Backbone interact. energy: -1.929
local terms energy: -190.763608
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -47.189
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -478.250302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.250302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.250302 (E_RNA)
where:
Base-Base interactions energy: -314.399
where: short stacking energy: -127.861
Base-Backbone interact. energy: -0.921
local terms energy: -162.930615
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -34.314
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -29.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -445.527987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.527987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.527987 (E_RNA)
where:
Base-Base interactions energy: -280.560
where: short stacking energy: -113.869
Base-Backbone interact. energy: -0.531
local terms energy: -164.436876
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -304.590505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.590505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.590505 (E_RNA)
where:
Base-Base interactions energy: -162.708
where: short stacking energy: -95.605
Base-Backbone interact. energy: 0.385
local terms energy: -142.267774
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -28.154
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -273.024450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.024450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.024450 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.733
local terms energy: -121.813898
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -247.475778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.475778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.475778 (E_RNA)
where:
Base-Base interactions energy: -132.301
where: short stacking energy: -74.555
Base-Backbone interact. energy: 1.045
local terms energy: -116.219121
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -722.733727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.733727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.733727 (E_RNA)
where:
Base-Base interactions energy: -476.628
where: short stacking energy: -224.813
Base-Backbone interact. energy: 0.295
local terms energy: -246.400666
where:
bonds (distance) C4'-P energy: -41.728
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -73.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -714.467980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.467980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.467980 (E_RNA)
where:
Base-Base interactions energy: -471.109
where: short stacking energy: -220.710
Base-Backbone interact. energy: -0.665
local terms energy: -242.693717
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -46.233
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -77.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -631.644022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.644022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.644022 (E_RNA)
where:
Base-Base interactions energy: -417.886
where: short stacking energy: -199.859
Base-Backbone interact. energy: -0.472
local terms energy: -213.285957
where:
bonds (distance) C4'-P energy: -37.750
bonds (distance) P-C4' energy: -45.956
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -60.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -613.061892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.061892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.061892 (E_RNA)
where:
Base-Base interactions energy: -397.835
where: short stacking energy: -197.512
Base-Backbone interact. energy: -0.226
local terms energy: -215.000824
where:
bonds (distance) C4'-P energy: -36.808
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -51.146
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -56.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -532.071501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.071501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.071501 (E_RNA)
where:
Base-Base interactions energy: -346.422
where: short stacking energy: -149.270
Base-Backbone interact. energy: -0.030
local terms energy: -185.619853
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -44.431
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: 98
Temperature: 1.150000
Total energy: -502.727073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.727073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.727073 (E_RNA)
where:
Base-Base interactions energy: -323.448
where: short stacking energy: -156.228
Base-Backbone interact. energy: -1.471
local terms energy: -177.808226
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -42.162
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -37.917
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: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -423.557437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.557437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.557437 (E_RNA)
where:
Base-Base interactions energy: -263.828
where: short stacking energy: -112.320
Base-Backbone interact. energy: -0.356
local terms energy: -159.372931
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -35.336
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -348.130262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.130262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.130262 (E_RNA)
where:
Base-Base interactions energy: -195.904
where: short stacking energy: -105.590
Base-Backbone interact. energy: -0.037
local terms energy: -152.189145
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -21.080
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -260.858752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.858752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.858752 (E_RNA)
where:
Base-Base interactions energy: -127.794
where: short stacking energy: -69.341
Base-Backbone interact. energy: -1.524
local terms energy: -131.540883
where:
bonds (distance) C4'-P energy: -40.001
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -252.796673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.796673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.796673 (E_RNA)
where:
Base-Base interactions energy: -131.791
where: short stacking energy: -66.740
Base-Backbone interact. energy: -3.074
local terms energy: -117.931942
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -36.395
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -719.707982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.707982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.707982 (E_RNA)
where:
Base-Base interactions energy: -488.596
where: short stacking energy: -237.543
Base-Backbone interact. energy: -0.045
local terms energy: -231.066917
where:
bonds (distance) C4'-P energy: -39.805
bonds (distance) P-C4' energy: -39.910
flat angles C4'-P-C4' energy: -44.636
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -77.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -738.847195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.847195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.847195 (E_RNA)
where:
Base-Base interactions energy: -499.773
where: short stacking energy: -222.152
Base-Backbone interact. energy: -0.505
local terms energy: -238.568760
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -45.475
flat angles C4'-P-C4' energy: -44.187
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -74.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -633.103580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.103580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.103580 (E_RNA)
where:
Base-Base interactions energy: -436.313
where: short stacking energy: -190.157
Base-Backbone interact. energy: -0.675
local terms energy: -196.115546
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -45.094
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -53.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -587.732557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.732557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.732557 (E_RNA)
where:
Base-Base interactions energy: -385.594
where: short stacking energy: -186.390
Base-Backbone interact. energy: -1.099
local terms energy: -201.040231
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -48.290
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -54.715
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: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -539.128158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.128158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.128158 (E_RNA)
where:
Base-Base interactions energy: -341.707
where: short stacking energy: -147.397
Base-Backbone interact. energy: -0.762
local terms energy: -196.659419
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -44.607
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -43.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -491.264175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.264175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.264175 (E_RNA)
where:
Base-Base interactions energy: -326.548
where: short stacking energy: -136.975
Base-Backbone interact. energy: -2.137
local terms energy: -162.578546
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -38.008
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -35.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -451.835736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.835736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.835736 (E_RNA)
where:
Base-Base interactions energy: -297.615
where: short stacking energy: -126.475
Base-Backbone interact. energy: 0.456
local terms energy: -154.677159
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -25.562
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: 99
Temperature: 1.250000
Total energy: -302.622953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.622953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.622953 (E_RNA)
where:
Base-Base interactions energy: -170.727
where: short stacking energy: -75.524
Base-Backbone interact. energy: 1.727
local terms energy: -133.622600
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: 2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -309.126587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.126587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.126587 (E_RNA)
where:
Base-Base interactions energy: -182.273
where: short stacking energy: -89.326
Base-Backbone interact. energy: -1.916
local terms energy: -124.936891
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -290.363447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.363447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.363447 (E_RNA)
where:
Base-Base interactions energy: -150.685
where: short stacking energy: -89.816
Base-Backbone interact. energy: -1.366
local terms energy: -138.312893
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -714.463141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.463141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.463141 (E_RNA)
where:
Base-Base interactions energy: -486.530
where: short stacking energy: -210.231
Base-Backbone interact. energy: -0.914
local terms energy: -227.019718
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -48.063
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: -63.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -714.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.260866 (E_RNA)
where:
Base-Base interactions energy: -462.513
where: short stacking energy: -212.491
Base-Backbone interact. energy: -1.101
local terms energy: -250.647511
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -49.490
flat angles P-C4'-P energy: -37.931
tors. eta vs tors. theta energy: -71.805
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -642.773449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.773449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.773449 (E_RNA)
where:
Base-Base interactions energy: -429.379
where: short stacking energy: -202.350
Base-Backbone interact. energy: -0.037
local terms energy: -213.357015
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -30.024
tors. eta vs tors. theta energy: -63.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -606.638152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.638152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.638152 (E_RNA)
where:
Base-Base interactions energy: -405.135
where: short stacking energy: -180.604
Base-Backbone interact. energy: -0.902
local terms energy: -200.600516
where:
bonds (distance) C4'-P energy: -36.340
bonds (distance) P-C4' energy: -42.270
flat angles C4'-P-C4' energy: -44.158
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -57.324
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: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -514.544646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.544646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.544646 (E_RNA)
where:
Base-Base interactions energy: -326.863
where: short stacking energy: -145.960
Base-Backbone interact. energy: 1.313
local terms energy: -188.994676
where:
bonds (distance) C4'-P energy: -39.384
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -47.868
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -38.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -492.996566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.996566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.996566 (E_RNA)
where:
Base-Base interactions energy: -298.020
where: short stacking energy: -143.739
Base-Backbone interact. energy: -0.261
local terms energy: -194.715141
where:
bonds (distance) C4'-P energy: -38.552
bonds (distance) P-C4' energy: -41.131
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -36.818
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: 100
Temperature: 1.200000
Total energy: -418.673898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.673898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.673898 (E_RNA)
where:
Base-Base interactions energy: -258.694
where: short stacking energy: -114.691
Base-Backbone interact. energy: 2.159
local terms energy: -162.139794
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -32.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -342.603778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.603778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.603778 (E_RNA)
where:
Base-Base interactions energy: -192.812
where: short stacking energy: -96.124
Base-Backbone interact. energy: -1.031
local terms energy: -148.760578
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -40.124
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -18.170
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -267.782820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.782820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.782820 (E_RNA)
where:
Base-Base interactions energy: -141.693
where: short stacking energy: -75.572
Base-Backbone interact. energy: -0.968
local terms energy: -125.122215
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -45.340
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -298.968367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.968367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.968367 (E_RNA)
where:
Base-Base interactions energy: -180.224
where: short stacking energy: -103.110
Base-Backbone interact. energy: 1.748
local terms energy: -120.493005
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -36.190
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -724.913040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.913040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.913040 (E_RNA)
where:
Base-Base interactions energy: -494.902
where: short stacking energy: -229.412
Base-Backbone interact. energy: -0.121
local terms energy: -229.890128
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -71.626
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: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -665.740960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.740960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.740960 (E_RNA)
where:
Base-Base interactions energy: -446.097
where: short stacking energy: -203.308
Base-Backbone interact. energy: 1.094
local terms energy: -220.737427
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -44.185
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: -62.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -679.426849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.426849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.426849 (E_RNA)
where:
Base-Base interactions energy: -451.753
where: short stacking energy: -212.377
Base-Backbone interact. energy: -0.986
local terms energy: -226.688132
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -37.928
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -66.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -634.767074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.767074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.767074 (E_RNA)
where:
Base-Base interactions energy: -418.273
where: short stacking energy: -192.196
Base-Backbone interact. energy: -0.323
local terms energy: -216.171405
where:
bonds (distance) C4'-P energy: -38.695
bonds (distance) P-C4' energy: -41.160
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -524.668417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.668417 (E_RNA)
where:
Base-Base interactions energy: -334.903
where: short stacking energy: -137.739
Base-Backbone interact. energy: -1.321
local terms energy: -188.444701
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -44.465
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -28.340
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: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -473.389901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.389901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.389901 (E_RNA)
where:
Base-Base interactions energy: -290.614
where: short stacking energy: -145.402
Base-Backbone interact. energy: -1.279
local terms energy: -181.496974
where:
bonds (distance) C4'-P energy: -44.326
bonds (distance) P-C4' energy: -37.660
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -449.630850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.630850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.630850 (E_RNA)
where:
Base-Base interactions energy: -288.616
where: short stacking energy: -129.013
Base-Backbone interact. energy: 0.704
local terms energy: -161.718245
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -27.150
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -346.908633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.908633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.908633 (E_RNA)
where:
Base-Base interactions energy: -204.039
where: short stacking energy: -91.185
Base-Backbone interact. energy: -0.598
local terms energy: -142.271637
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -278.213546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.213546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.213546 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -71.988
Base-Backbone interact. energy: -1.052
local terms energy: -133.247364
where:
bonds (distance) C4'-P energy: -41.099
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -315.082140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.082140 (E_RNA)
where:
Base-Base interactions energy: -183.040
where: short stacking energy: -91.438
Base-Backbone interact. energy: -1.015
local terms energy: -131.026965
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -732.876515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.876515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.876515 (E_RNA)
where:
Base-Base interactions energy: -494.432
where: short stacking energy: -226.486
Base-Backbone interact. energy: -0.815
local terms energy: -237.629403
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -71.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -661.388976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.388976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.388976 (E_RNA)
where:
Base-Base interactions energy: -436.998
where: short stacking energy: -206.693
Base-Backbone interact. energy: -0.363
local terms energy: -224.028121
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -39.503
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -65.071
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: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -665.228308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.228308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.228308 (E_RNA)
where:
Base-Base interactions energy: -446.356
where: short stacking energy: -196.915
Base-Backbone interact. energy: -0.866
local terms energy: -218.006322
where:
bonds (distance) C4'-P energy: -42.583
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -45.849
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -68.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -629.965398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.965398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.965398 (E_RNA)
where:
Base-Base interactions energy: -429.184
where: short stacking energy: -198.383
Base-Backbone interact. energy: -0.250
local terms energy: -200.531503
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -57.327
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: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -511.881260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.881260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.881260 (E_RNA)
where:
Base-Base interactions energy: -337.410
where: short stacking energy: -155.951
Base-Backbone interact. energy: -1.903
local terms energy: -172.569156
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -24.796
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: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -487.828346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.828346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.828346 (E_RNA)
where:
Base-Base interactions energy: -315.325
where: short stacking energy: -156.644
Base-Backbone interact. energy: -2.578
local terms energy: -169.925297
where:
bonds (distance) C4'-P energy: -36.740
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -35.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -462.601615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.601615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.601615 (E_RNA)
where:
Base-Base interactions energy: -286.041
where: short stacking energy: -150.680
Base-Backbone interact. energy: 1.903
local terms energy: -178.463019
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -35.577
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -38.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -346.184040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.184040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.184040 (E_RNA)
where:
Base-Base interactions energy: -212.232
where: short stacking energy: -85.454
Base-Backbone interact. energy: 2.648
local terms energy: -136.600482
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -45.423
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -349.320215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.320215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.320215 (E_RNA)
where:
Base-Base interactions energy: -186.261
where: short stacking energy: -104.215
Base-Backbone interact. energy: -0.519
local terms energy: -162.539872
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -267.299412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.299412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.299412 (E_RNA)
where:
Base-Base interactions energy: -144.445
where: short stacking energy: -79.342
Base-Backbone interact. energy: 0.547
local terms energy: -123.401192
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -40.356
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: 10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -738.526365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.526365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.526365 (E_RNA)
where:
Base-Base interactions energy: -508.213
where: short stacking energy: -235.930
Base-Backbone interact. energy: -0.596
local terms energy: -229.717398
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -69.542
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -696.926443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.926443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.926443 (E_RNA)
where:
Base-Base interactions energy: -465.714
where: short stacking energy: -209.568
Base-Backbone interact. energy: -0.249
local terms energy: -230.963778
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -30.206
tors. eta vs tors. theta energy: -70.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -639.661930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.661930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.661930 (E_RNA)
where:
Base-Base interactions energy: -413.364
where: short stacking energy: -191.692
Base-Backbone interact. energy: 1.586
local terms energy: -227.884440
where:
bonds (distance) C4'-P energy: -39.200
bonds (distance) P-C4' energy: -46.697
flat angles C4'-P-C4' energy: -46.780
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -58.137
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: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -597.485233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.485233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.485233 (E_RNA)
where:
Base-Base interactions energy: -387.892
where: short stacking energy: -183.844
Base-Backbone interact. energy: 0.233
local terms energy: -209.825860
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -46.912
flat angles C4'-P-C4' energy: -45.168
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -51.738
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: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -517.483414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.483414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.483414 (E_RNA)
where:
Base-Base interactions energy: -327.296
where: short stacking energy: -156.493
Base-Backbone interact. energy: -0.383
local terms energy: -189.804186
where:
bonds (distance) C4'-P energy: -38.807
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -38.833
flat angles P-C4'-P energy: -33.549
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -488.610333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.610333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.610333 (E_RNA)
where:
Base-Base interactions energy: -299.355
where: short stacking energy: -142.799
Base-Backbone interact. energy: -0.904
local terms energy: -188.351865
where:
bonds (distance) C4'-P energy: -41.852
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -42.718
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -40.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -503.807800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.807800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.807800 (E_RNA)
where:
Base-Base interactions energy: -332.468
where: short stacking energy: -148.978
Base-Backbone interact. energy: -0.564
local terms energy: -170.775124
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -373.899278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.899278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.899278 (E_RNA)
where:
Base-Base interactions energy: -216.749
where: short stacking energy: -106.109
Base-Backbone interact. energy: -1.477
local terms energy: -155.673276
where:
bonds (distance) C4'-P energy: -39.877
bonds (distance) P-C4' energy: -33.582
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -340.139737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.139737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.139737 (E_RNA)
where:
Base-Base interactions energy: -202.018
where: short stacking energy: -94.309
Base-Backbone interact. energy: -0.262
local terms energy: -137.859902
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -240.210769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.210769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.210769 (E_RNA)
where:
Base-Base interactions energy: -111.591
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.752
local terms energy: -127.867732
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -699.453842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.453842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.453842 (E_RNA)
where:
Base-Base interactions energy: -462.530
where: short stacking energy: -219.588
Base-Backbone interact. energy: 2.585
local terms energy: -239.508615
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -73.279
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: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -720.365237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.365237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.365237 (E_RNA)
where:
Base-Base interactions energy: -483.664
where: short stacking energy: -219.497
Base-Backbone interact. energy: -0.522
local terms energy: -236.178887
where:
bonds (distance) C4'-P energy: -40.576
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -40.967
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -73.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -641.966762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.966762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.966762 (E_RNA)
where:
Base-Base interactions energy: -427.441
where: short stacking energy: -186.943
Base-Backbone interact. energy: -1.151
local terms energy: -213.374168
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -44.024
flat angles C4'-P-C4' energy: -47.665
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -591.840877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.840877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.840877 (E_RNA)
where:
Base-Base interactions energy: -387.183
where: short stacking energy: -180.767
Base-Backbone interact. energy: -2.340
local terms energy: -202.317987
where:
bonds (distance) C4'-P energy: -38.587
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -51.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -532.656696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.656696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.656696 (E_RNA)
where:
Base-Base interactions energy: -346.211
where: short stacking energy: -137.035
Base-Backbone interact. energy: -1.540
local terms energy: -184.905238
where:
bonds (distance) C4'-P energy: -34.635
bonds (distance) P-C4' energy: -41.865
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -42.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -486.901762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.901762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.901762 (E_RNA)
where:
Base-Base interactions energy: -296.897
where: short stacking energy: -131.707
Base-Backbone interact. energy: -0.381
local terms energy: -189.623575
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -39.146
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -37.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -480.621121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.621121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.621121 (E_RNA)
where:
Base-Base interactions energy: -303.932
where: short stacking energy: -132.575
Base-Backbone interact. energy: -0.811
local terms energy: -175.878412
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -37.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -367.569181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.569181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.569181 (E_RNA)
where:
Base-Base interactions energy: -212.763
where: short stacking energy: -113.797
Base-Backbone interact. energy: -0.756
local terms energy: -154.050067
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -28.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -340.139300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.139300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.139300 (E_RNA)
where:
Base-Base interactions energy: -186.592
where: short stacking energy: -84.231
Base-Backbone interact. energy: -1.247
local terms energy: -152.300458
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -290.219138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.219138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.219138 (E_RNA)
where:
Base-Base interactions energy: -157.862
where: short stacking energy: -77.401
Base-Backbone interact. energy: -0.953
local terms energy: -131.403951
where:
bonds (distance) C4'-P energy: -32.169
bonds (distance) P-C4' energy: -34.502
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -717.207080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.207080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.207080 (E_RNA)
where:
Base-Base interactions energy: -471.966
where: short stacking energy: -218.671
Base-Backbone interact. energy: -0.762
local terms energy: -244.479963
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -73.382
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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -722.443015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.443015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.443015 (E_RNA)
where:
Base-Base interactions energy: -479.076
where: short stacking energy: -218.196
Base-Backbone interact. energy: -0.996
local terms energy: -242.370736
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -41.669
flat angles C4'-P-C4' energy: -50.905
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -70.774
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -649.381594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.381594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.381594 (E_RNA)
where:
Base-Base interactions energy: -428.356
where: short stacking energy: -195.576
Base-Backbone interact. energy: -0.294
local terms energy: -220.731667
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -638.544205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.544205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.544205 (E_RNA)
where:
Base-Base interactions energy: -423.737
where: short stacking energy: -196.646
Base-Backbone interact. energy: -0.438
local terms energy: -214.368489
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -47.190
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -57.161
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -516.973448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.973448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.973448 (E_RNA)
where:
Base-Base interactions energy: -320.908
where: short stacking energy: -151.771
Base-Backbone interact. energy: -0.690
local terms energy: -195.375539
where:
bonds (distance) C4'-P energy: -43.196
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -39.523
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -44.782
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -535.998239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.998239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.998239 (E_RNA)
where:
Base-Base interactions energy: -352.531
where: short stacking energy: -153.300
Base-Backbone interact. energy: -1.030
local terms energy: -182.438092
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -27.126
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: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -462.877908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.877908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.877908 (E_RNA)
where:
Base-Base interactions energy: -282.969
where: short stacking energy: -152.360
Base-Backbone interact. energy: -1.215
local terms energy: -178.694739
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -24.498
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: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -341.314120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.314120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.314120 (E_RNA)
where:
Base-Base interactions energy: -206.662
where: short stacking energy: -110.505
Base-Backbone interact. energy: 0.918
local terms energy: -135.570196
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -40.402
flat angles C4'-P-C4' energy: -26.865
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -320.983988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.983988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.983988 (E_RNA)
where:
Base-Base interactions energy: -180.363
where: short stacking energy: -88.303
Base-Backbone interact. energy: -0.374
local terms energy: -140.246599
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -296.232739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.232739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.232739 (E_RNA)
where:
Base-Base interactions energy: -150.935
where: short stacking energy: -86.763
Base-Backbone interact. energy: -1.528
local terms energy: -143.769675
where:
bonds (distance) C4'-P energy: -40.939
bonds (distance) P-C4' energy: -32.817
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -727.517504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.517504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.517504 (E_RNA)
where:
Base-Base interactions energy: -479.723
where: short stacking energy: -231.841
Base-Backbone interact. energy: -0.059
local terms energy: -247.735220
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -45.588
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -74.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -692.165372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.165372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.165372 (E_RNA)
where:
Base-Base interactions energy: -465.189
where: short stacking energy: -218.653
Base-Backbone interact. energy: -0.736
local terms energy: -226.239987
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -50.406
flat angles P-C4'-P energy: -32.373
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: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -666.993464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.993464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.993464 (E_RNA)
where:
Base-Base interactions energy: -439.968
where: short stacking energy: -208.103
Base-Backbone interact. energy: -0.346
local terms energy: -226.678989
where:
bonds (distance) C4'-P energy: -42.351
bonds (distance) P-C4' energy: -39.339
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -65.860
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -604.627966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.627966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.627966 (E_RNA)
where:
Base-Base interactions energy: -414.251
where: short stacking energy: -198.467
Base-Backbone interact. energy: -0.281
local terms energy: -190.096010
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -38.835
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -62.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -543.823061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.823061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.823061 (E_RNA)
where:
Base-Base interactions energy: -340.129
where: short stacking energy: -151.409
Base-Backbone interact. energy: -0.848
local terms energy: -202.846572
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -42.530
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -498.374429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.374429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.374429 (E_RNA)
where:
Base-Base interactions energy: -315.555
where: short stacking energy: -141.604
Base-Backbone interact. energy: -0.926
local terms energy: -181.893500
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -42.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -398.062421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.062421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.062421 (E_RNA)
where:
Base-Base interactions energy: -232.817
where: short stacking energy: -115.625
Base-Backbone interact. energy: -0.610
local terms energy: -164.635736
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -20.770
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: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -327.197458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.197458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.197458 (E_RNA)
where:
Base-Base interactions energy: -203.219
where: short stacking energy: -98.118
Base-Backbone interact. energy: 0.404
local terms energy: -124.383308
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -9.426
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: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -307.358602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.358602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.358602 (E_RNA)
where:
Base-Base interactions energy: -179.380
where: short stacking energy: -83.222
Base-Backbone interact. energy: 0.643
local terms energy: -128.620876
where:
bonds (distance) C4'-P energy: -32.689
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -294.382705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.382705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.382705 (E_RNA)
where:
Base-Base interactions energy: -181.885
where: short stacking energy: -101.687
Base-Backbone interact. energy: 3.344
local terms energy: -115.841676
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -727.117651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.117651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.117651 (E_RNA)
where:
Base-Base interactions energy: -486.249
where: short stacking energy: -220.026
Base-Backbone interact. energy: -0.961
local terms energy: -239.907619
where:
bonds (distance) C4'-P energy: -37.417
bonds (distance) P-C4' energy: -48.386
flat angles C4'-P-C4' energy: -49.022
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: -68.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -683.714730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.714730 (E_RNA)
where:
Base-Base interactions energy: -445.007
where: short stacking energy: -201.606
Base-Backbone interact. energy: -0.737
local terms energy: -237.970783
where:
bonds (distance) C4'-P energy: -44.178
bonds (distance) P-C4' energy: -45.092
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -65.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -624.496479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.496479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.496479 (E_RNA)
where:
Base-Base interactions energy: -403.653
where: short stacking energy: -192.905
Base-Backbone interact. energy: -0.850
local terms energy: -219.993593
where:
bonds (distance) C4'-P energy: -41.082
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -44.600
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -61.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -598.603027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.603027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.603027 (E_RNA)
where:
Base-Base interactions energy: -398.954
where: short stacking energy: -188.606
Base-Backbone interact. energy: -0.181
local terms energy: -199.467605
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -45.123
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -52.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -547.229042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.229042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.229042 (E_RNA)
where:
Base-Base interactions energy: -352.345
where: short stacking energy: -162.652
Base-Backbone interact. energy: 0.920
local terms energy: -195.804347
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -42.870
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -495.468674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.468674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.468674 (E_RNA)
where:
Base-Base interactions energy: -322.432
where: short stacking energy: -147.359
Base-Backbone interact. energy: -0.461
local terms energy: -172.574970
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -38.563
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -391.138941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.138941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.138941 (E_RNA)
where:
Base-Base interactions energy: -248.193
where: short stacking energy: -122.627
Base-Backbone interact. energy: 3.522
local terms energy: -146.467326
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -21.617
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: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -370.402751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.402751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.402751 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -113.055
Base-Backbone interact. energy: -1.330
local terms energy: -166.856974
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -355.350878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.350878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.350878 (E_RNA)
where:
Base-Base interactions energy: -210.786
where: short stacking energy: -106.551
Base-Backbone interact. energy: 0.998
local terms energy: -145.563008
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -316.128280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.128280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.128280 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -97.782
Base-Backbone interact. energy: 0.261
local terms energy: -146.510552
where:
bonds (distance) C4'-P energy: -43.956
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -722.252298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.252298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.252298 (E_RNA)
where:
Base-Base interactions energy: -474.075
where: short stacking energy: -215.305
Base-Backbone interact. energy: -1.642
local terms energy: -246.534738
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -73.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -695.777471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.777471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.777471 (E_RNA)
where:
Base-Base interactions energy: -451.935
where: short stacking energy: -215.691
Base-Backbone interact. energy: -0.885
local terms energy: -242.957447
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -48.732
flat angles C4'-P-C4' energy: -47.264
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: -68.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -634.400782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.400782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.400782 (E_RNA)
where:
Base-Base interactions energy: -417.120
where: short stacking energy: -187.564
Base-Backbone interact. energy: -0.383
local terms energy: -216.898073
where:
bonds (distance) C4'-P energy: -39.942
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -61.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -642.092080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.092080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.092080 (E_RNA)
where:
Base-Base interactions energy: -418.727
where: short stacking energy: -195.742
Base-Backbone interact. energy: 0.518
local terms energy: -223.882829
where:
bonds (distance) C4'-P energy: -42.775
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -64.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -558.055383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.055383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.055383 (E_RNA)
where:
Base-Base interactions energy: -360.225
where: short stacking energy: -168.427
Base-Backbone interact. energy: -0.026
local terms energy: -197.804580
where:
bonds (distance) C4'-P energy: -38.165
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -493.626165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.626165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.626165 (E_RNA)
where:
Base-Base interactions energy: -295.367
where: short stacking energy: -140.047
Base-Backbone interact. energy: -0.784
local terms energy: -197.474883
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -47.737
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -42.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -351.303632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.303632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.303632 (E_RNA)
where:
Base-Base interactions energy: -199.594
where: short stacking energy: -105.067
Base-Backbone interact. energy: 3.955
local terms energy: -155.664476
where:
bonds (distance) C4'-P energy: -41.528
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -371.492972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.492972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.492972 (E_RNA)
where:
Base-Base interactions energy: -241.379
where: short stacking energy: -110.036
Base-Backbone interact. energy: 3.517
local terms energy: -133.630474
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -308.074565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.074565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.074565 (E_RNA)
where:
Base-Base interactions energy: -174.494
where: short stacking energy: -96.735
Base-Backbone interact. energy: -0.808
local terms energy: -132.772207
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -312.686034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.686034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.686034 (E_RNA)
where:
Base-Base interactions energy: -173.335
where: short stacking energy: -80.042
Base-Backbone interact. energy: -1.573
local terms energy: -137.778149
where:
bonds (distance) C4'-P energy: -38.187
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -11.444
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: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -721.134054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.134054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.134054 (E_RNA)
where:
Base-Base interactions energy: -493.171
where: short stacking energy: -217.686
Base-Backbone interact. energy: -0.184
local terms energy: -227.778502
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -68.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -682.907169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.907169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.907169 (E_RNA)
where:
Base-Base interactions energy: -450.750
where: short stacking energy: -207.263
Base-Backbone interact. energy: -1.261
local terms energy: -230.896712
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -67.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -628.044293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.044293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.044293 (E_RNA)
where:
Base-Base interactions energy: -419.395
where: short stacking energy: -201.050
Base-Backbone interact. energy: -0.184
local terms energy: -208.464657
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -55.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -563.732927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.732927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.732927 (E_RNA)
where:
Base-Base interactions energy: -372.333
where: short stacking energy: -169.498
Base-Backbone interact. energy: 0.551
local terms energy: -191.951089
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -37.273
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -41.112
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -592.997954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.997954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.997954 (E_RNA)
where:
Base-Base interactions energy: -381.597
where: short stacking energy: -181.437
Base-Backbone interact. energy: -0.243
local terms energy: -211.158125
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -41.114
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -58.790
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -524.478435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.478435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.478435 (E_RNA)
where:
Base-Base interactions energy: -357.822
where: short stacking energy: -163.085
Base-Backbone interact. energy: -1.009
local terms energy: -165.647402
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -36.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -367.205162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.205162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.205162 (E_RNA)
where:
Base-Base interactions energy: -214.491
where: short stacking energy: -115.122
Base-Backbone interact. energy: -1.689
local terms energy: -151.025641
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -349.373780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.373780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.373780 (E_RNA)
where:
Base-Base interactions energy: -198.268
where: short stacking energy: -108.795
Base-Backbone interact. energy: 2.706
local terms energy: -153.811876
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -45.348
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -15.994
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -393.487048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.487048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.487048 (E_RNA)
where:
Base-Base interactions energy: -244.727
where: short stacking energy: -117.880
Base-Backbone interact. energy: -1.017
local terms energy: -147.742687
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -297.296961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.296961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.296961 (E_RNA)
where:
Base-Base interactions energy: -176.982
where: short stacking energy: -81.115
Base-Backbone interact. energy: -2.086
local terms energy: -118.228275
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -37.838
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -6.143
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -732.214424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.214424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.214424 (E_RNA)
where:
Base-Base interactions energy: -487.893
where: short stacking energy: -213.730
Base-Backbone interact. energy: -0.608
local terms energy: -243.713265
where:
bonds (distance) C4'-P energy: -38.083
bonds (distance) P-C4' energy: -42.791
flat angles C4'-P-C4' energy: -47.242
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: -76.641
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: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -688.825451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.825451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.825451 (E_RNA)
where:
Base-Base interactions energy: -457.792
where: short stacking energy: -209.488
Base-Backbone interact. energy: -0.054
local terms energy: -230.978984
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -34.039
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: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -632.706021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.706021 (E_RNA)
where:
Base-Base interactions energy: -411.193
where: short stacking energy: -191.268
Base-Backbone interact. energy: -0.911
local terms energy: -220.602310
where:
bonds (distance) C4'-P energy: -40.079
bonds (distance) P-C4' energy: -48.672
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -56.566
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: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -561.643228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.643228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.643228 (E_RNA)
where:
Base-Base interactions energy: -379.784
where: short stacking energy: -162.040
Base-Backbone interact. energy: -0.469
local terms energy: -181.390308
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -45.478
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -593.331254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.331254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.331254 (E_RNA)
where:
Base-Base interactions energy: -387.011
where: short stacking energy: -175.796
Base-Backbone interact. energy: -0.930
local terms energy: -205.389290
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -53.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -447.864537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.864537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.864537 (E_RNA)
where:
Base-Base interactions energy: -282.589
where: short stacking energy: -112.269
Base-Backbone interact. energy: -1.153
local terms energy: -164.121734
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -342.854798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.854798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.854798 (E_RNA)
where:
Base-Base interactions energy: -197.392
where: short stacking energy: -98.108
Base-Backbone interact. energy: 0.473
local terms energy: -145.935305
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -359.405394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.405394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.405394 (E_RNA)
where:
Base-Base interactions energy: -203.074
where: short stacking energy: -109.995
Base-Backbone interact. energy: -0.008
local terms energy: -156.323382
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -367.625207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.625207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.625207 (E_RNA)
where:
Base-Base interactions energy: -229.777
where: short stacking energy: -112.510
Base-Backbone interact. energy: 1.273
local terms energy: -139.121125
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -22.705
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: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -299.569813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.569813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.569813 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -74.467
Base-Backbone interact. energy: 2.248
local terms energy: -138.451154
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -35.716
flat angles C4'-P-C4' energy: -40.035
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -725.536811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.536811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.536811 (E_RNA)
where:
Base-Base interactions energy: -485.875
where: short stacking energy: -217.934
Base-Backbone interact. energy: -0.751
local terms energy: -238.910204
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -45.980
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -72.350
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -699.873778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.873778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.873778 (E_RNA)
where:
Base-Base interactions energy: -462.146
where: short stacking energy: -213.530
Base-Backbone interact. energy: -0.841
local terms energy: -236.886595
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -44.147
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -28.875
tors. eta vs tors. theta energy: -72.692
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: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -620.346014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.346014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.346014 (E_RNA)
where:
Base-Base interactions energy: -412.061
where: short stacking energy: -204.017
Base-Backbone interact. energy: -0.180
local terms energy: -208.105246
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -39.070
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -58.584
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: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -585.549333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.549333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.549333 (E_RNA)
where:
Base-Base interactions energy: -390.226
where: short stacking energy: -176.256
Base-Backbone interact. energy: -0.751
local terms energy: -194.572002
where:
bonds (distance) C4'-P energy: -39.331
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -47.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -575.351890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.351890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.351890 (E_RNA)
where:
Base-Base interactions energy: -370.971
where: short stacking energy: -170.604
Base-Backbone interact. energy: -0.478
local terms energy: -203.903195
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -55.170
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: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -466.657646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.657646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.657646 (E_RNA)
where:
Base-Base interactions energy: -306.304
where: short stacking energy: -119.943
Base-Backbone interact. energy: -0.498
local terms energy: -159.855537
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -28.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -380.974882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.974882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.974882 (E_RNA)
where:
Base-Base interactions energy: -216.328
where: short stacking energy: -117.096
Base-Backbone interact. energy: -0.525
local terms energy: -164.121610
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -26.283
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: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -395.880314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.880314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.880314 (E_RNA)
where:
Base-Base interactions energy: -253.047
where: short stacking energy: -111.439
Base-Backbone interact. energy: 1.417
local terms energy: -144.250651
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -314.575110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.575110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.575110 (E_RNA)
where:
Base-Base interactions energy: -183.050
where: short stacking energy: -87.808
Base-Backbone interact. energy: -0.756
local terms energy: -130.769173
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -336.166979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.166979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.166979 (E_RNA)
where:
Base-Base interactions energy: -197.351
where: short stacking energy: -108.484
Base-Backbone interact. energy: -0.671
local terms energy: -138.145905
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -732.546754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.546754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.546754 (E_RNA)
where:
Base-Base interactions energy: -493.212
where: short stacking energy: -220.738
Base-Backbone interact. energy: -0.497
local terms energy: -238.837687
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -698.314482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.314482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.314482 (E_RNA)
where:
Base-Base interactions energy: -463.493
where: short stacking energy: -210.867
Base-Backbone interact. energy: -1.280
local terms energy: -233.541790
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -42.486
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -63.904
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: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -622.194342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.194342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.194342 (E_RNA)
where:
Base-Base interactions energy: -402.876
where: short stacking energy: -190.836
Base-Backbone interact. energy: 0.279
local terms energy: -219.597758
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -59.751
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: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -615.781664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.781664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.781664 (E_RNA)
where:
Base-Base interactions energy: -410.019
where: short stacking energy: -169.940
Base-Backbone interact. energy: -0.384
local terms energy: -205.378218
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -42.335
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -53.571
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: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -612.903177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.903177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.903177 (E_RNA)
where:
Base-Base interactions energy: -388.053
where: short stacking energy: -184.333
Base-Backbone interact. energy: -0.854
local terms energy: -223.996752
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -45.081
flat angles C4'-P-C4' energy: -45.757
flat angles P-C4'-P energy: -29.113
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: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -496.218672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.218672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.218672 (E_RNA)
where:
Base-Base interactions energy: -313.934
where: short stacking energy: -155.392
Base-Backbone interact. energy: -0.999
local terms energy: -181.286002
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -38.327
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -39.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -402.235623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.235623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.235623 (E_RNA)
where:
Base-Base interactions energy: -234.359
where: short stacking energy: -131.309
Base-Backbone interact. energy: -0.287
local terms energy: -167.588712
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -34.628
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -357.000012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.000012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.000012 (E_RNA)
where:
Base-Base interactions energy: -217.933
where: short stacking energy: -101.018
Base-Backbone interact. energy: 4.477
local terms energy: -143.544109
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -315.838056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.838056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.838056 (E_RNA)
where:
Base-Base interactions energy: -172.399
where: short stacking energy: -90.888
Base-Backbone interact. energy: -1.097
local terms energy: -142.342178
where:
bonds (distance) C4'-P energy: -39.866
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -308.767385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.767385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.767385 (E_RNA)
where:
Base-Base interactions energy: -191.713
where: short stacking energy: -94.293
Base-Backbone interact. energy: 2.656
local terms energy: -119.710220
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -731.650622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.650622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.650622 (E_RNA)
where:
Base-Base interactions energy: -486.201
where: short stacking energy: -218.283
Base-Backbone interact. energy: -0.022
local terms energy: -245.428014
where:
bonds (distance) C4'-P energy: -45.402
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -32.054
tors. eta vs tors. theta energy: -72.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -698.445524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.445524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.445524 (E_RNA)
where:
Base-Base interactions energy: -461.981
where: short stacking energy: -216.300
Base-Backbone interact. energy: -0.091
local terms energy: -236.373997
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -44.317
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -66.819
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -627.676083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.676083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.676083 (E_RNA)
where:
Base-Base interactions energy: -426.070
where: short stacking energy: -199.659
Base-Backbone interact. energy: 1.450
local terms energy: -203.055725
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -59.524
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: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -603.958930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.958930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.958930 (E_RNA)
where:
Base-Base interactions energy: -398.921
where: short stacking energy: -182.942
Base-Backbone interact. energy: 2.403
local terms energy: -207.441510
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -41.266
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -61.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -592.386165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.386165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.386165 (E_RNA)
where:
Base-Base interactions energy: -390.156
where: short stacking energy: -165.353
Base-Backbone interact. energy: 0.179
local terms energy: -202.409422
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -29.057
tors. eta vs tors. theta energy: -48.549
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: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -467.658971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.658971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.658971 (E_RNA)
where:
Base-Base interactions energy: -288.841
where: short stacking energy: -127.702
Base-Backbone interact. energy: 0.812
local terms energy: -179.630146
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -32.331
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: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -392.843781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.843781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.843781 (E_RNA)
where:
Base-Base interactions energy: -246.293
where: short stacking energy: -123.210
Base-Backbone interact. energy: 1.714
local terms energy: -148.265084
where:
bonds (distance) C4'-P energy: -37.925
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -365.949209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.949209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.949209 (E_RNA)
where:
Base-Base interactions energy: -216.559
where: short stacking energy: -115.928
Base-Backbone interact. energy: 2.612
local terms energy: -152.002565
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -28.541
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -334.066343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.066343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.066343 (E_RNA)
where:
Base-Base interactions energy: -178.347
where: short stacking energy: -86.917
Base-Backbone interact. energy: -0.624
local terms energy: -155.095315
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -17.274
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: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -316.446301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.446301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.446301 (E_RNA)
where:
Base-Base interactions energy: -194.063
where: short stacking energy: -95.026
Base-Backbone interact. energy: -2.967
local terms energy: -119.416843
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -722.921561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.921561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.921561 (E_RNA)
where:
Base-Base interactions energy: -491.210
where: short stacking energy: -227.287
Base-Backbone interact. energy: -1.507
local terms energy: -230.204712
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -71.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -689.895287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.895287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.895287 (E_RNA)
where:
Base-Base interactions energy: -461.576
where: short stacking energy: -212.653
Base-Backbone interact. energy: -0.613
local terms energy: -227.706255
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -70.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -649.982728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.982728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.982728 (E_RNA)
where:
Base-Base interactions energy: -423.278
where: short stacking energy: -208.157
Base-Backbone interact. energy: 1.979
local terms energy: -228.683576
where:
bonds (distance) C4'-P energy: -48.951
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -63.293
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: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -598.472789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.472789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.472789 (E_RNA)
where:
Base-Base interactions energy: -393.482
where: short stacking energy: -187.536
Base-Backbone interact. energy: -0.271
local terms energy: -204.719582
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -42.141
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -55.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -590.136370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.136370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.136370 (E_RNA)
where:
Base-Base interactions energy: -395.229
where: short stacking energy: -182.576
Base-Backbone interact. energy: 0.748
local terms energy: -195.655998
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -48.790
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: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -469.931046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.931046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.931046 (E_RNA)
where:
Base-Base interactions energy: -297.432
where: short stacking energy: -138.666
Base-Backbone interact. energy: -1.051
local terms energy: -171.448291
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -32.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -424.689946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.689946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.689946 (E_RNA)
where:
Base-Base interactions energy: -254.839
where: short stacking energy: -130.758
Base-Backbone interact. energy: 0.618
local terms energy: -170.469098
where:
bonds (distance) C4'-P energy: -41.684
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -28.746
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -387.248077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.248077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.248077 (E_RNA)
where:
Base-Base interactions energy: -238.015
where: short stacking energy: -100.573
Base-Backbone interact. energy: -0.773
local terms energy: -148.459388
where:
bonds (distance) C4'-P energy: -38.178
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -35.178
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -357.773287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.773287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.773287 (E_RNA)
where:
Base-Base interactions energy: -213.390
where: short stacking energy: -87.265
Base-Backbone interact. energy: -0.181
local terms energy: -144.202501
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -39.161
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -324.991555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.991555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.991555 (E_RNA)
where:
Base-Base interactions energy: -187.451
where: short stacking energy: -88.050
Base-Backbone interact. energy: -1.353
local terms energy: -136.187223
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -709.769456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.769456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.769456 (E_RNA)
where:
Base-Base interactions energy: -484.408
where: short stacking energy: -222.481
Base-Backbone interact. energy: -0.126
local terms energy: -225.235484
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -46.160
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -69.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -694.794412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.794412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.794412 (E_RNA)
where:
Base-Base interactions energy: -459.010
where: short stacking energy: -202.011
Base-Backbone interact. energy: 0.206
local terms energy: -235.990796
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: -60.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -657.731378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.731378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.731378 (E_RNA)
where:
Base-Base interactions energy: -428.655
where: short stacking energy: -196.459
Base-Backbone interact. energy: -0.589
local terms energy: -228.487075
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -46.791
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -61.265
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: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -599.795436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.795436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.795436 (E_RNA)
where:
Base-Base interactions energy: -398.294
where: short stacking energy: -195.816
Base-Backbone interact. energy: -1.553
local terms energy: -199.947831
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -29.102
tors. eta vs tors. theta energy: -56.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -611.549857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.549857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.549857 (E_RNA)
where:
Base-Base interactions energy: -407.673
where: short stacking energy: -171.836
Base-Backbone interact. energy: 0.293
local terms energy: -204.170311
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -51.395
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -487.429204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.429204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.429204 (E_RNA)
where:
Base-Base interactions energy: -321.393
where: short stacking energy: -144.220
Base-Backbone interact. energy: 1.477
local terms energy: -167.512681
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -27.737
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -430.813472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.813472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.813472 (E_RNA)
where:
Base-Base interactions energy: -261.953
where: short stacking energy: -145.680
Base-Backbone interact. energy: -0.785
local terms energy: -168.075657
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -39.050
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: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -376.464921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.464921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.464921 (E_RNA)
where:
Base-Base interactions energy: -236.275
where: short stacking energy: -99.370
Base-Backbone interact. energy: -0.531
local terms energy: -139.658732
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -351.326733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.326733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.326733 (E_RNA)
where:
Base-Base interactions energy: -221.553
where: short stacking energy: -102.093
Base-Backbone interact. energy: -1.893
local terms energy: -127.880700
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -306.996494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.996494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.996494 (E_RNA)
where:
Base-Base interactions energy: -171.120
where: short stacking energy: -75.144
Base-Backbone interact. energy: -1.069
local terms energy: -134.807120
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -45.959
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -729.536964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.536964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.536964 (E_RNA)
where:
Base-Base interactions energy: -496.797
where: short stacking energy: -224.321
Base-Backbone interact. energy: -0.479
local terms energy: -232.260724
where:
bonds (distance) C4'-P energy: -44.600
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -74.311
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -697.516877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.516877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.516877 (E_RNA)
where:
Base-Base interactions energy: -460.766
where: short stacking energy: -214.370
Base-Backbone interact. energy: -0.389
local terms energy: -236.361651
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -48.189
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -71.140
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: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -653.325611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.325611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.325611 (E_RNA)
where:
Base-Base interactions energy: -420.967
where: short stacking energy: -199.161
Base-Backbone interact. energy: 0.420
local terms energy: -232.778415
where:
bonds (distance) C4'-P energy: -41.834
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -64.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -571.448354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.448354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.448354 (E_RNA)
where:
Base-Base interactions energy: -389.424
where: short stacking energy: -180.944
Base-Backbone interact. energy: -0.613
local terms energy: -181.410837
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -47.226
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -48.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -660.278837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.278837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.278837 (E_RNA)
where:
Base-Base interactions energy: -442.183
where: short stacking energy: -201.930
Base-Backbone interact. energy: 0.343
local terms energy: -218.439398
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -46.978
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -58.097
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -459.320802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.320802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.320802 (E_RNA)
where:
Base-Base interactions energy: -277.275
where: short stacking energy: -133.704
Base-Backbone interact. energy: -0.685
local terms energy: -181.361274
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -32.438
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: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -424.555071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.555071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.555071 (E_RNA)
where:
Base-Base interactions energy: -259.670
where: short stacking energy: -125.663
Base-Backbone interact. energy: -0.602
local terms energy: -164.283181
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -39.644
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -383.751742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.751742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.751742 (E_RNA)
where:
Base-Base interactions energy: -212.687
where: short stacking energy: -105.724
Base-Backbone interact. energy: 1.054
local terms energy: -172.118725
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -328.496322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.496322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.496322 (E_RNA)
where:
Base-Base interactions energy: -183.752
where: short stacking energy: -87.835
Base-Backbone interact. energy: 0.123
local terms energy: -144.868184
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -325.873171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.873171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.873171 (E_RNA)
where:
Base-Base interactions energy: -193.535
where: short stacking energy: -98.841
Base-Backbone interact. energy: -3.389
local terms energy: -128.949809
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -725.636750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.636750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.636750 (E_RNA)
where:
Base-Base interactions energy: -481.604
where: short stacking energy: -220.428
Base-Backbone interact. energy: -0.476
local terms energy: -243.556832
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -75.013
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: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -704.715646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.715646 (E_RNA)
where:
Base-Base interactions energy: -474.499
where: short stacking energy: -214.260
Base-Backbone interact. energy: -0.558
local terms energy: -229.658473
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -43.821
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: -69.707
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: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -631.868798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.868798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.868798 (E_RNA)
where:
Base-Base interactions energy: -417.567
where: short stacking energy: -193.963
Base-Backbone interact. energy: -0.033
local terms energy: -214.268920
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -41.211
flat angles C4'-P-C4' energy: -42.832
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: -62.509
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -598.427401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.427401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.427401 (E_RNA)
where:
Base-Base interactions energy: -398.011
where: short stacking energy: -178.842
Base-Backbone interact. energy: -0.505
local terms energy: -199.911340
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -52.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -635.715109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.715109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.715109 (E_RNA)
where:
Base-Base interactions energy: -410.674
where: short stacking energy: -177.699
Base-Backbone interact. energy: -1.358
local terms energy: -223.683004
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -43.708
flat angles C4'-P-C4' energy: -50.301
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -62.279
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -464.439218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.439218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.439218 (E_RNA)
where:
Base-Base interactions energy: -283.504
where: short stacking energy: -132.418
Base-Backbone interact. energy: -0.574
local terms energy: -180.361235
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -41.833
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -32.513
tors. eta vs tors. theta energy: -35.378
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -370.297351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.297351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.297351 (E_RNA)
where:
Base-Base interactions energy: -211.827
where: short stacking energy: -101.501
Base-Backbone interact. energy: -0.509
local terms energy: -157.960821
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -352.360500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.360500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.360500 (E_RNA)
where:
Base-Base interactions energy: -199.702
where: short stacking energy: -91.514
Base-Backbone interact. energy: -1.061
local terms energy: -151.597271
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -38.831
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -307.142414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.142414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.142414 (E_RNA)
where:
Base-Base interactions energy: -169.666
where: short stacking energy: -92.375
Base-Backbone interact. energy: -0.090
local terms energy: -137.386802
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -264.382108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.382108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.382108 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.575
local terms energy: -130.526060
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -720.373353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.373353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.373353 (E_RNA)
where:
Base-Base interactions energy: -483.911
where: short stacking energy: -221.267
Base-Backbone interact. energy: -0.395
local terms energy: -236.067247
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -45.808
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: -72.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -690.410978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.410978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.410978 (E_RNA)
where:
Base-Base interactions energy: -465.187
where: short stacking energy: -212.336
Base-Backbone interact. energy: -1.015
local terms energy: -224.208678
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -68.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -648.731028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.731028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.731028 (E_RNA)
where:
Base-Base interactions energy: -430.599
where: short stacking energy: -208.362
Base-Backbone interact. energy: -0.554
local terms energy: -217.578798
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -43.249
flat angles C4'-P-C4' energy: -47.578
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -62.968
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -603.936706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.936706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.936706 (E_RNA)
where:
Base-Base interactions energy: -379.401
where: short stacking energy: -183.935
Base-Backbone interact. energy: -0.987
local terms energy: -223.548863
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -46.655
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -60.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -646.456955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.456955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.456955 (E_RNA)
where:
Base-Base interactions energy: -438.442
where: short stacking energy: -186.600
Base-Backbone interact. energy: -1.094
local terms energy: -206.921542
where:
bonds (distance) C4'-P energy: -42.474
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -39.972
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -56.674
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: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -524.136228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.136228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.136228 (E_RNA)
where:
Base-Base interactions energy: -347.218
where: short stacking energy: -147.601
Base-Backbone interact. energy: -1.889
local terms energy: -175.028931
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -44.741
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -374.575944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.575944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.575944 (E_RNA)
where:
Base-Base interactions energy: -221.779
where: short stacking energy: -109.982
Base-Backbone interact. energy: -2.208
local terms energy: -150.589435
where:
bonds (distance) C4'-P energy: -35.725
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -353.603071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.603071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.603071 (E_RNA)
where:
Base-Base interactions energy: -204.777
where: short stacking energy: -106.336
Base-Backbone interact. energy: -0.642
local terms energy: -148.184279
where:
bonds (distance) C4'-P energy: -39.088
bonds (distance) P-C4' energy: -42.886
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -290.662161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.662161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.662161 (E_RNA)
where:
Base-Base interactions energy: -160.595
where: short stacking energy: -83.212
Base-Backbone interact. energy: -1.396
local terms energy: -128.671072
where:
bonds (distance) C4'-P energy: -28.513
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -260.239833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.239833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.239833 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -70.592
Base-Backbone interact. energy: 0.991
local terms energy: -119.884753
where:
bonds (distance) C4'-P energy: -34.523
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -738.151983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.151983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.151983 (E_RNA)
where:
Base-Base interactions energy: -491.926
where: short stacking energy: -227.017
Base-Backbone interact. energy: -0.872
local terms energy: -245.353929
where:
bonds (distance) C4'-P energy: -45.650
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -46.367
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -74.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -679.835767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.835767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.835767 (E_RNA)
where:
Base-Base interactions energy: -460.959
where: short stacking energy: -218.940
Base-Backbone interact. energy: 1.919
local terms energy: -220.796212
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: -65.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -647.072333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.072333 (E_RNA)
where:
Base-Base interactions energy: -420.873
where: short stacking energy: -200.444
Base-Backbone interact. energy: -0.075
local terms energy: -226.123919
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -41.438
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -63.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -658.253640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.253640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.253640 (E_RNA)
where:
Base-Base interactions energy: -452.087
where: short stacking energy: -192.265
Base-Backbone interact. energy: -1.093
local terms energy: -205.073710
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -51.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -586.416693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.416693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.416693 (E_RNA)
where:
Base-Base interactions energy: -372.059
where: short stacking energy: -184.282
Base-Backbone interact. energy: -0.341
local terms energy: -214.016342
where:
bonds (distance) C4'-P energy: -42.968
bonds (distance) P-C4' energy: -44.631
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -56.831
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -503.093263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.093263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.093263 (E_RNA)
where:
Base-Base interactions energy: -318.365
where: short stacking energy: -156.684
Base-Backbone interact. energy: -1.830
local terms energy: -182.898911
where:
bonds (distance) C4'-P energy: -37.163
bonds (distance) P-C4' energy: -41.270
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -46.629
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: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -362.614537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.614537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.614537 (E_RNA)
where:
Base-Base interactions energy: -202.518
where: short stacking energy: -94.508
Base-Backbone interact. energy: -1.675
local terms energy: -158.421428
where:
bonds (distance) C4'-P energy: -36.224
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -38.996
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -355.956421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.956421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.956421 (E_RNA)
where:
Base-Base interactions energy: -213.410
where: short stacking energy: -106.813
Base-Backbone interact. energy: -2.103
local terms energy: -140.442950
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -339.586834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.586834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.586834 (E_RNA)
where:
Base-Base interactions energy: -191.744
where: short stacking energy: -82.809
Base-Backbone interact. energy: 3.023
local terms energy: -150.865905
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -181.633521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.633521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.633521 (E_RNA)
where:
Base-Base interactions energy: -58.249
where: short stacking energy: -39.844
Base-Backbone interact. energy: -1.490
local terms energy: -121.893900
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: 7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -721.422838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.422838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.422838 (E_RNA)
where:
Base-Base interactions energy: -486.425
where: short stacking energy: -211.688
Base-Backbone interact. energy: -0.911
local terms energy: -234.086566
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -44.077
flat angles C4'-P-C4' energy: -49.806
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -69.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -685.234965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.234965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.234965 (E_RNA)
where:
Base-Base interactions energy: -465.870
where: short stacking energy: -209.895
Base-Backbone interact. energy: -0.801
local terms energy: -218.564111
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -49.122
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -66.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -652.412265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.412265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.412265 (E_RNA)
where:
Base-Base interactions energy: -425.683
where: short stacking energy: -211.426
Base-Backbone interact. energy: 0.700
local terms energy: -227.429273
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -43.248
flat angles C4'-P-C4' energy: -44.958
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -64.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -674.734099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.734099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.734099 (E_RNA)
where:
Base-Base interactions energy: -483.522
where: short stacking energy: -193.901
Base-Backbone interact. energy: -0.700
local terms energy: -190.512060
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -41.706
flat angles C4'-P-C4' energy: -45.288
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -57.842
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -563.697280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.697280 (E_RNA)
where:
Base-Base interactions energy: -362.338
where: short stacking energy: -173.993
Base-Backbone interact. energy: -0.081
local terms energy: -201.278883
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -42.916
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -483.026784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.026784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.026784 (E_RNA)
where:
Base-Base interactions energy: -312.728
where: short stacking energy: -144.791
Base-Backbone interact. energy: -1.244
local terms energy: -169.055009
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -38.654
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -34.498
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: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -348.146912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.146912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.146912 (E_RNA)
where:
Base-Base interactions energy: -200.924
where: short stacking energy: -99.047
Base-Backbone interact. energy: -0.366
local terms energy: -146.856529
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -39.539
flat angles C4'-P-C4' energy: -38.418
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -18.489
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: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -373.021884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.021884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.021884 (E_RNA)
where:
Base-Base interactions energy: -227.747
where: short stacking energy: -102.555
Base-Backbone interact. energy: 1.495
local terms energy: -146.769912
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -43.907
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -257.277601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.277601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.277601 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.221
local terms energy: -123.007216
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -181.168619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.168619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.168619 (E_RNA)
where:
Base-Base interactions energy: -83.420
where: short stacking energy: -65.909
Base-Backbone interact. energy: 2.003
local terms energy: -99.751654
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: 2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -716.414668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.414668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.414668 (E_RNA)
where:
Base-Base interactions energy: -482.520
where: short stacking energy: -224.260
Base-Backbone interact. energy: -1.250
local terms energy: -232.644906
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -41.879
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -30.855
tors. eta vs tors. theta energy: -73.299
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: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -665.972313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.972313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.972313 (E_RNA)
where:
Base-Base interactions energy: -434.711
where: short stacking energy: -212.942
Base-Backbone interact. energy: -0.597
local terms energy: -230.664718
where:
bonds (distance) C4'-P energy: -47.661
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: -62.951
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -671.607637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.607637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.607637 (E_RNA)
where:
Base-Base interactions energy: -438.266
where: short stacking energy: -197.916
Base-Backbone interact. energy: -0.063
local terms energy: -233.278077
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -37.676
flat angles C4'-P-C4' energy: -47.672
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -66.545
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: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -674.415615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.415615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.415615 (E_RNA)
where:
Base-Base interactions energy: -468.111
where: short stacking energy: -205.231
Base-Backbone interact. energy: -0.526
local terms energy: -205.778438
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -45.001
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -59.992
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: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -566.315830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.315830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.315830 (E_RNA)
where:
Base-Base interactions energy: -369.973
where: short stacking energy: -180.520
Base-Backbone interact. energy: -1.259
local terms energy: -195.083164
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -495.522523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.522523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.522523 (E_RNA)
where:
Base-Base interactions energy: -316.021
where: short stacking energy: -130.275
Base-Backbone interact. energy: 0.914
local terms energy: -180.414813
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -336.873526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.873526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.873526 (E_RNA)
where:
Base-Base interactions energy: -188.159
where: short stacking energy: -95.541
Base-Backbone interact. energy: -0.522
local terms energy: -148.193317
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -313.842508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.842508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.842508 (E_RNA)
where:
Base-Base interactions energy: -156.513
where: short stacking energy: -89.424
Base-Backbone interact. energy: 0.057
local terms energy: -157.386815
where:
bonds (distance) C4'-P energy: -42.904
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -232.886186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.886186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.886186 (E_RNA)
where:
Base-Base interactions energy: -120.461
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.072
local terms energy: -112.353967
where:
bonds (distance) C4'-P energy: -33.998
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -180.254691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.254691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.254691 (E_RNA)
where:
Base-Base interactions energy: -54.201
where: short stacking energy: -45.696
Base-Backbone interact. energy: 0.208
local terms energy: -126.262050
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: 4.439
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -726.322258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.322258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.322258 (E_RNA)
where:
Base-Base interactions energy: -485.696
where: short stacking energy: -229.144
Base-Backbone interact. energy: -0.358
local terms energy: -240.268714
where:
bonds (distance) C4'-P energy: -45.822
bonds (distance) P-C4' energy: -43.194
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -71.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -659.060604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.060604 (E_RNA)
where:
Base-Base interactions energy: -438.880
where: short stacking energy: -199.707
Base-Backbone interact. energy: -0.182
local terms energy: -219.998481
where:
bonds (distance) C4'-P energy: -35.646
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -707.910178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.910178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.910178 (E_RNA)
where:
Base-Base interactions energy: -476.684
where: short stacking energy: -196.477
Base-Backbone interact. energy: 1.705
local terms energy: -232.931023
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -66.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -667.052514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.052514 (E_RNA)
where:
Base-Base interactions energy: -438.744
where: short stacking energy: -197.872
Base-Backbone interact. energy: 1.702
local terms energy: -230.011029
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -31.813
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: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -571.095113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.095113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.095113 (E_RNA)
where:
Base-Base interactions energy: -374.142
where: short stacking energy: -179.702
Base-Backbone interact. energy: -0.568
local terms energy: -196.385285
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -54.060
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: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -496.391262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.391262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.391262 (E_RNA)
where:
Base-Base interactions energy: -311.319
where: short stacking energy: -150.817
Base-Backbone interact. energy: -1.770
local terms energy: -183.301658
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -42.027
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -37.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -375.202457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.202457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.202457 (E_RNA)
where:
Base-Base interactions energy: -213.206
where: short stacking energy: -105.804
Base-Backbone interact. energy: -0.371
local terms energy: -161.625248
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -251.000117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.000117 (E_RNA)
where:
Base-Base interactions energy: -119.258
where: short stacking energy: -78.577
Base-Backbone interact. energy: -1.109
local terms energy: -130.632696
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -245.704235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.704235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.704235 (E_RNA)
where:
Base-Base interactions energy: -97.928
where: short stacking energy: -53.162
Base-Backbone interact. energy: -1.911
local terms energy: -145.865710
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -39.990
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -189.589549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.589549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.589549 (E_RNA)
where:
Base-Base interactions energy: -75.606
where: short stacking energy: -53.533
Base-Backbone interact. energy: -1.512
local terms energy: -112.471760
where:
bonds (distance) C4'-P energy: -37.043
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -728.989109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.989109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.989109 (E_RNA)
where:
Base-Base interactions energy: -493.545
where: short stacking energy: -226.180
Base-Backbone interact. energy: -0.176
local terms energy: -235.268052
where:
bonds (distance) C4'-P energy: -35.483
bonds (distance) P-C4' energy: -48.193
flat angles C4'-P-C4' energy: -45.217
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -72.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -727.986401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.986401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.986401 (E_RNA)
where:
Base-Base interactions energy: -497.445
where: short stacking energy: -222.303
Base-Backbone interact. energy: -0.122
local terms energy: -230.419227
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -40.766
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -66.322
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: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -632.354769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.354769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.354769 (E_RNA)
where:
Base-Base interactions energy: -417.178
where: short stacking energy: -205.573
Base-Backbone interact. energy: -0.336
local terms energy: -214.841361
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -49.099
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -60.979
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -686.881423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.881423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.881423 (E_RNA)
where:
Base-Base interactions energy: -444.025
where: short stacking energy: -217.162
Base-Backbone interact. energy: -0.492
local terms energy: -242.364281
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -52.034
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -71.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -599.541925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.541925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.541925 (E_RNA)
where:
Base-Base interactions energy: -390.997
where: short stacking energy: -186.565
Base-Backbone interact. energy: -1.677
local terms energy: -206.868543
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -55.613
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: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -449.078502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.078502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.078502 (E_RNA)
where:
Base-Base interactions energy: -270.588
where: short stacking energy: -133.045
Base-Backbone interact. energy: 1.872
local terms energy: -180.362136
where:
bonds (distance) C4'-P energy: -35.447
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -40.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -376.891524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.891524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.891524 (E_RNA)
where:
Base-Base interactions energy: -218.338
where: short stacking energy: -111.935
Base-Backbone interact. energy: -0.581
local terms energy: -157.972316
where:
bonds (distance) C4'-P energy: -41.332
bonds (distance) P-C4' energy: -35.141
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -290.535129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.535129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.535129 (E_RNA)
where:
Base-Base interactions energy: -160.347
where: short stacking energy: -85.961
Base-Backbone interact. energy: -0.528
local terms energy: -129.660140
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -196.539343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.539343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.539343 (E_RNA)
where:
Base-Base interactions energy: -75.752
where: short stacking energy: -75.046
Base-Backbone interact. energy: -0.321
local terms energy: -120.466433
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -29.780
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -11.874
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: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -188.090659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090659 (E_RNA)
where:
Base-Base interactions energy: -67.778
where: short stacking energy: -61.166
Base-Backbone interact. energy: -2.843
local terms energy: -117.469674
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -6.794
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -729.400558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.400558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.400558 (E_RNA)
where:
Base-Base interactions energy: -477.020
where: short stacking energy: -223.578
Base-Backbone interact. energy: -1.302
local terms energy: -251.078746
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -41.495
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -73.372
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: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -734.183292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.183292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.183292 (E_RNA)
where:
Base-Base interactions energy: -493.590
where: short stacking energy: -222.983
Base-Backbone interact. energy: -0.593
local terms energy: -240.000634
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: -71.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -689.383361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.383361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.383361 (E_RNA)
where:
Base-Base interactions energy: -459.979
where: short stacking energy: -208.367
Base-Backbone interact. energy: -0.771
local terms energy: -228.634020
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -50.247
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -66.852
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: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -621.344724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.344724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.344724 (E_RNA)
where:
Base-Base interactions energy: -405.020
where: short stacking energy: -181.895
Base-Backbone interact. energy: 0.175
local terms energy: -216.499448
where:
bonds (distance) C4'-P energy: -41.700
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -29.283
tors. eta vs tors. theta energy: -60.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -577.247437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.247437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.247437 (E_RNA)
where:
Base-Base interactions energy: -376.501
where: short stacking energy: -172.865
Base-Backbone interact. energy: -1.301
local terms energy: -199.445229
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -41.858
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -51.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -439.767734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.767734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.767734 (E_RNA)
where:
Base-Base interactions energy: -268.105
where: short stacking energy: -136.158
Base-Backbone interact. energy: -0.975
local terms energy: -170.687322
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -30.111
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -376.957459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.957459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.957459 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -108.419
Base-Backbone interact. energy: -0.495
local terms energy: -170.257170
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -40.808
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -23.392
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: 124
Temperature: 1.250000
Total energy: -333.479696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.479696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.479696 (E_RNA)
where:
Base-Base interactions energy: -192.510
where: short stacking energy: -102.071
Base-Backbone interact. energy: 2.226
local terms energy: -143.196196
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -210.033123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033123 (E_RNA)
where:
Base-Base interactions energy: -86.541
where: short stacking energy: -79.555
Base-Backbone interact. energy: 0.003
local terms energy: -123.494897
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -187.801991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.801991 (E_RNA)
where:
Base-Base interactions energy: -57.039
where: short stacking energy: -49.271
Base-Backbone interact. energy: 2.066
local terms energy: -132.829122
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -19.077
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -719.132246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.132246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.132246 (E_RNA)
where:
Base-Base interactions energy: -469.678
where: short stacking energy: -212.283
Base-Backbone interact. energy: 0.120
local terms energy: -249.574520
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -46.042
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -74.340
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: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -730.923490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.923490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.923490 (E_RNA)
where:
Base-Base interactions energy: -492.051
where: short stacking energy: -216.381
Base-Backbone interact. energy: -0.261
local terms energy: -238.611619
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -73.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -673.341171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.341171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.341171 (E_RNA)
where:
Base-Base interactions energy: -454.425
where: short stacking energy: -199.000
Base-Backbone interact. energy: -0.659
local terms energy: -218.257879
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -42.224
flat angles C4'-P-C4' energy: -50.582
flat angles P-C4'-P energy: -28.731
tors. eta vs tors. theta energy: -62.377
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -624.859011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.859011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.859011 (E_RNA)
where:
Base-Base interactions energy: -425.969
where: short stacking energy: -188.708
Base-Backbone interact. energy: -1.483
local terms energy: -197.406910
where:
bonds (distance) C4'-P energy: -42.846
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -49.811
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: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -573.977691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.977691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.977691 (E_RNA)
where:
Base-Base interactions energy: -369.667
where: short stacking energy: -165.801
Base-Backbone interact. energy: 1.109
local terms energy: -205.420228
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -32.838
tors. eta vs tors. theta energy: -44.633
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: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -426.207784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.207784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.207784 (E_RNA)
where:
Base-Base interactions energy: -248.128
where: short stacking energy: -132.019
Base-Backbone interact. energy: 0.066
local terms energy: -178.145645
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -38.880
flat angles C4'-P-C4' energy: -44.525
flat angles P-C4'-P energy: -31.058
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: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -375.190408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.190408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.190408 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -121.413
Base-Backbone interact. energy: -0.547
local terms energy: -161.270527
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -28.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -333.177126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.177126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.177126 (E_RNA)
where:
Base-Base interactions energy: -174.873
where: short stacking energy: -91.590
Base-Backbone interact. energy: -0.252
local terms energy: -158.051859
where:
bonds (distance) C4'-P energy: -39.272
bonds (distance) P-C4' energy: -39.278
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -209.138817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.138817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138817 (E_RNA)
where:
Base-Base interactions energy: -72.054
where: short stacking energy: -67.597
Base-Backbone interact. energy: -0.600
local terms energy: -136.485537
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -14.521
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -260.048872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.048872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.048872 (E_RNA)
where:
Base-Base interactions energy: -143.824
where: short stacking energy: -64.601
Base-Backbone interact. energy: -1.698
local terms energy: -114.527288
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -755.221946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.221946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.221946 (E_RNA)
where:
Base-Base interactions energy: -506.021
where: short stacking energy: -234.152
Base-Backbone interact. energy: 0.224
local terms energy: -249.424682
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -51.413
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -73.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -711.099953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.099953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.099953 (E_RNA)
where:
Base-Base interactions energy: -478.755
where: short stacking energy: -218.371
Base-Backbone interact. energy: -0.114
local terms energy: -232.230481
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -673.640096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.640096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.640096 (E_RNA)
where:
Base-Base interactions energy: -453.263
where: short stacking energy: -208.941
Base-Backbone interact. energy: -0.673
local terms energy: -219.703548
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -45.956
flat angles P-C4'-P energy: -28.828
tors. eta vs tors. theta energy: -63.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -646.224060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.224060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.224060 (E_RNA)
where:
Base-Base interactions energy: -436.256
where: short stacking energy: -201.280
Base-Backbone interact. energy: 0.880
local terms energy: -210.847903
where:
bonds (distance) C4'-P energy: -36.678
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -48.068
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -60.939
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: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -584.685594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.685594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.685594 (E_RNA)
where:
Base-Base interactions energy: -385.220
where: short stacking energy: -175.644
Base-Backbone interact. energy: -0.090
local terms energy: -199.375705
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -42.110
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -47.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -421.584677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.584677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.584677 (E_RNA)
where:
Base-Base interactions energy: -255.838
where: short stacking energy: -127.803
Base-Backbone interact. energy: 1.749
local terms energy: -167.495884
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -43.871
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -350.817925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.817925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.817925 (E_RNA)
where:
Base-Base interactions energy: -200.061
where: short stacking energy: -94.706
Base-Backbone interact. energy: -0.379
local terms energy: -150.377722
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -41.611
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -349.747268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.747268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.747268 (E_RNA)
where:
Base-Base interactions energy: -212.898
where: short stacking energy: -101.466
Base-Backbone interact. energy: -0.523
local terms energy: -136.325921
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -326.518120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.518120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.518120 (E_RNA)
where:
Base-Base interactions energy: -178.162
where: short stacking energy: -93.351
Base-Backbone interact. energy: -2.480
local terms energy: -145.876397
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -36.853
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -205.408775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.408775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.408775 (E_RNA)
where:
Base-Base interactions energy: -86.636
where: short stacking energy: -74.711
Base-Backbone interact. energy: 1.807
local terms energy: -120.580256
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -742.636999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.636999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.636999 (E_RNA)
where:
Base-Base interactions energy: -502.931
where: short stacking energy: -227.784
Base-Backbone interact. energy: -0.401
local terms energy: -239.305290
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -74.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -712.518831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.518831 (E_RNA)
where:
Base-Base interactions energy: -476.781
where: short stacking energy: -205.547
Base-Backbone interact. energy: -0.216
local terms energy: -235.521771
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -66.902
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -667.955468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.955468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.955468 (E_RNA)
where:
Base-Base interactions energy: -443.653
where: short stacking energy: -204.216
Base-Backbone interact. energy: -0.807
local terms energy: -223.495471
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -38.895
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -622.580367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.580367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.580367 (E_RNA)
where:
Base-Base interactions energy: -414.780
where: short stacking energy: -197.637
Base-Backbone interact. energy: -0.948
local terms energy: -206.852201
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -46.325
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -50.239
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: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -581.543416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.543416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.543416 (E_RNA)
where:
Base-Base interactions energy: -378.676
where: short stacking energy: -180.651
Base-Backbone interact. energy: 2.209
local terms energy: -205.076529
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -28.481
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -419.157291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.157291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.157291 (E_RNA)
where:
Base-Base interactions energy: -266.942
where: short stacking energy: -127.299
Base-Backbone interact. energy: -1.025
local terms energy: -151.191053
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -336.169585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.169585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.169585 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -103.559
Base-Backbone interact. energy: -1.719
local terms energy: -142.559262
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -38.986
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -338.283357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.283357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.283357 (E_RNA)
where:
Base-Base interactions energy: -187.569
where: short stacking energy: -102.662
Base-Backbone interact. energy: -0.734
local terms energy: -149.981211
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -34.882
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -325.444842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.444842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.444842 (E_RNA)
where:
Base-Base interactions energy: -184.191
where: short stacking energy: -93.814
Base-Backbone interact. energy: 1.747
local terms energy: -143.001163
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -181.879257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.879257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.879257 (E_RNA)
where:
Base-Base interactions energy: -70.651
where: short stacking energy: -47.473
Base-Backbone interact. energy: 1.015
local terms energy: -112.243562
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -30.470
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: 2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -729.725765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.725765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.725765 (E_RNA)
where:
Base-Base interactions energy: -496.088
where: short stacking energy: -221.397
Base-Backbone interact. energy: -1.479
local terms energy: -232.159044
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -48.694
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -71.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -716.631218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.631218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.631218 (E_RNA)
where:
Base-Base interactions energy: -494.836
where: short stacking energy: -220.147
Base-Backbone interact. energy: -1.074
local terms energy: -220.721464
where:
bonds (distance) C4'-P energy: -34.539
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -69.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -666.968219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.968219 (E_RNA)
where:
Base-Base interactions energy: -447.473
where: short stacking energy: -192.464
Base-Backbone interact. energy: -0.151
local terms energy: -219.344812
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -63.367
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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -585.598194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.598194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.598194 (E_RNA)
where:
Base-Base interactions energy: -382.234
where: short stacking energy: -179.136
Base-Backbone interact. energy: -0.454
local terms energy: -202.910255
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -47.778
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -49.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -561.381292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.381292 (E_RNA)
where:
Base-Base interactions energy: -372.017
where: short stacking energy: -170.462
Base-Backbone interact. energy: -0.929
local terms energy: -188.435618
where:
bonds (distance) C4'-P energy: -45.900
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -46.345
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -492.641900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.641900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.641900 (E_RNA)
where:
Base-Base interactions energy: -316.618
where: short stacking energy: -143.530
Base-Backbone interact. energy: -0.895
local terms energy: -175.128829
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -45.072
flat angles C4'-P-C4' energy: -41.107
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -369.704640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.704640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.704640 (E_RNA)
where:
Base-Base interactions energy: -214.623
where: short stacking energy: -108.281
Base-Backbone interact. energy: -0.534
local terms energy: -154.546967
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -326.263698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.263698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.263698 (E_RNA)
where:
Base-Base interactions energy: -190.454
where: short stacking energy: -86.491
Base-Backbone interact. energy: -0.146
local terms energy: -135.663573
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -385.537118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.537118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.537118 (E_RNA)
where:
Base-Base interactions energy: -229.689
where: short stacking energy: -109.800
Base-Backbone interact. energy: -0.564
local terms energy: -155.284451
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -176.558668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.558668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.558668 (E_RNA)
where:
Base-Base interactions energy: -60.566
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.483
local terms energy: -115.509724
where:
bonds (distance) C4'-P energy: -25.846
bonds (distance) P-C4' energy: -40.987
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -734.920641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.920641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.920641 (E_RNA)
where:
Base-Base interactions energy: -496.750
where: short stacking energy: -230.798
Base-Backbone interact. energy: 1.903
local terms energy: -240.073617
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -77.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -701.404279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.404279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.404279 (E_RNA)
where:
Base-Base interactions energy: -462.342
where: short stacking energy: -209.649
Base-Backbone interact. energy: -0.344
local terms energy: -238.718089
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -72.904
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: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -663.130794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.130794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.130794 (E_RNA)
where:
Base-Base interactions energy: -444.285
where: short stacking energy: -218.813
Base-Backbone interact. energy: -0.016
local terms energy: -218.830178
where:
bonds (distance) C4'-P energy: -40.286
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -44.172
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -65.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -585.490137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.490137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.490137 (E_RNA)
where:
Base-Base interactions energy: -387.359
where: short stacking energy: -179.660
Base-Backbone interact. energy: -0.327
local terms energy: -197.804714
where:
bonds (distance) C4'-P energy: -40.471
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -52.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -540.667636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.667636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.667636 (E_RNA)
where:
Base-Base interactions energy: -352.940
where: short stacking energy: -157.437
Base-Backbone interact. energy: 0.644
local terms energy: -188.371705
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -44.824
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: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -467.817464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.817464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.817464 (E_RNA)
where:
Base-Base interactions energy: -301.663
where: short stacking energy: -130.131
Base-Backbone interact. energy: -0.859
local terms energy: -165.295698
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -33.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -381.657944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.657944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.657944 (E_RNA)
where:
Base-Base interactions energy: -222.811
where: short stacking energy: -120.144
Base-Backbone interact. energy: -0.393
local terms energy: -158.454517
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -39.706
flat angles C4'-P-C4' energy: -31.083
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -390.023696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.023696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.023696 (E_RNA)
where:
Base-Base interactions energy: -228.173
where: short stacking energy: -113.068
Base-Backbone interact. energy: -1.256
local terms energy: -160.593803
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -29.676
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: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -333.428814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.428814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.428814 (E_RNA)
where:
Base-Base interactions energy: -189.332
where: short stacking energy: -88.111
Base-Backbone interact. energy: -1.291
local terms energy: -142.805802
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -182.763830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.763830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.763830 (E_RNA)
where:
Base-Base interactions energy: -63.687
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.321
local terms energy: -118.755516
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: 2.714
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: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -727.133389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.133389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.133389 (E_RNA)
where:
Base-Base interactions energy: -485.976
where: short stacking energy: -214.802
Base-Backbone interact. energy: -0.660
local terms energy: -240.497571
where:
bonds (distance) C4'-P energy: -49.896
bonds (distance) P-C4' energy: -41.728
flat angles C4'-P-C4' energy: -46.816
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -67.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -710.638932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.638932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.638932 (E_RNA)
where:
Base-Base interactions energy: -480.406
where: short stacking energy: -210.399
Base-Backbone interact. energy: -0.150
local terms energy: -230.083295
where:
bonds (distance) C4'-P energy: -41.941
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -68.443
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: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -643.782016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.782016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.782016 (E_RNA)
where:
Base-Base interactions energy: -424.149
where: short stacking energy: -192.599
Base-Backbone interact. energy: 0.398
local terms energy: -220.031689
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -57.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -594.982129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.982129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.982129 (E_RNA)
where:
Base-Base interactions energy: -374.870
where: short stacking energy: -167.231
Base-Backbone interact. energy: -1.399
local terms energy: -218.712340
where:
bonds (distance) C4'-P energy: -42.424
bonds (distance) P-C4' energy: -39.167
flat angles C4'-P-C4' energy: -48.874
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: -55.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -587.883136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.883136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.883136 (E_RNA)
where:
Base-Base interactions energy: -390.850
where: short stacking energy: -171.836
Base-Backbone interact. energy: -0.692
local terms energy: -196.341400
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -29.807
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -489.141174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.141174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.141174 (E_RNA)
where:
Base-Base interactions energy: -322.298
where: short stacking energy: -141.892
Base-Backbone interact. energy: -1.989
local terms energy: -164.853950
where:
bonds (distance) C4'-P energy: -35.305
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -36.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -423.477030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.477030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.477030 (E_RNA)
where:
Base-Base interactions energy: -263.988
where: short stacking energy: -119.397
Base-Backbone interact. energy: 0.670
local terms energy: -160.158512
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -39.310
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -23.857
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -336.912235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.912235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.912235 (E_RNA)
where:
Base-Base interactions energy: -189.340
where: short stacking energy: -94.154
Base-Backbone interact. energy: -0.541
local terms energy: -147.031079
where:
bonds (distance) C4'-P energy: -43.822
bonds (distance) P-C4' energy: -40.312
flat angles C4'-P-C4' energy: -39.209
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -335.124157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.124157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.124157 (E_RNA)
where:
Base-Base interactions energy: -189.926
where: short stacking energy: -88.732
Base-Backbone interact. energy: -0.268
local terms energy: -144.929611
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -36.798
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -196.188477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.188477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.188477 (E_RNA)
where:
Base-Base interactions energy: -84.571
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.719
local terms energy: -110.898013
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: 4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -741.316691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.316691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.316691 (E_RNA)
where:
Base-Base interactions energy: -491.604
where: short stacking energy: -228.702
Base-Backbone interact. energy: -0.324
local terms energy: -249.388636
where:
bonds (distance) C4'-P energy: -47.537
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -50.070
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -74.099
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: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -714.256177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.256177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.256177 (E_RNA)
where:
Base-Base interactions energy: -474.942
where: short stacking energy: -211.980
Base-Backbone interact. energy: -0.132
local terms energy: -239.182462
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -49.393
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -75.111
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -663.992187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.992187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.992187 (E_RNA)
where:
Base-Base interactions energy: -440.701
where: short stacking energy: -204.584
Base-Backbone interact. energy: -0.372
local terms energy: -222.919397
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -40.353
flat angles C4'-P-C4' energy: -43.539
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -69.387
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -601.881865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.881865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.881865 (E_RNA)
where:
Base-Base interactions energy: -405.153
where: short stacking energy: -177.092
Base-Backbone interact. energy: 0.993
local terms energy: -197.722371
where:
bonds (distance) C4'-P energy: -33.046
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -49.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -585.527141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.527141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.527141 (E_RNA)
where:
Base-Base interactions energy: -372.680
where: short stacking energy: -161.923
Base-Backbone interact. energy: -0.651
local terms energy: -212.195753
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -42.158
flat angles P-C4'-P energy: -35.243
tors. eta vs tors. theta energy: -50.208
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -468.443105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.443105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.443105 (E_RNA)
where:
Base-Base interactions energy: -306.547
where: short stacking energy: -144.642
Base-Backbone interact. energy: -1.097
local terms energy: -160.798861
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -39.810
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -38.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -427.356345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.356345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.356345 (E_RNA)
where:
Base-Base interactions energy: -262.588
where: short stacking energy: -130.965
Base-Backbone interact. energy: -0.437
local terms energy: -164.330918
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -32.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -328.271284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.271284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.271284 (E_RNA)
where:
Base-Base interactions energy: -181.787
where: short stacking energy: -92.253
Base-Backbone interact. energy: -0.666
local terms energy: -145.818140
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -21.874
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: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -345.745332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.745332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.745332 (E_RNA)
where:
Base-Base interactions energy: -214.442
where: short stacking energy: -113.828
Base-Backbone interact. energy: -0.610
local terms energy: -130.693370
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -15.030
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -203.980471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.980471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.980471 (E_RNA)
where:
Base-Base interactions energy: -81.782
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.933
local terms energy: -121.266124
where:
bonds (distance) C4'-P energy: -37.656
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -2.503
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: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -722.680691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.680691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.680691 (E_RNA)
where:
Base-Base interactions energy: -498.711
where: short stacking energy: -224.230
Base-Backbone interact. energy: -0.584
local terms energy: -223.385552
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -71.018
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: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -721.405912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.405912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.405912 (E_RNA)
where:
Base-Base interactions energy: -492.602
where: short stacking energy: -215.968
Base-Backbone interact. energy: -0.104
local terms energy: -228.699040
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -69.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -680.163923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.163923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.163923 (E_RNA)
where:
Base-Base interactions energy: -452.030
where: short stacking energy: -207.401
Base-Backbone interact. energy: -0.250
local terms energy: -227.883467
where:
bonds (distance) C4'-P energy: -43.483
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -68.485
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: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -591.374430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.374430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.374430 (E_RNA)
where:
Base-Base interactions energy: -380.503
where: short stacking energy: -170.379
Base-Backbone interact. energy: -0.778
local terms energy: -210.092952
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -42.243
flat angles P-C4'-P energy: -30.367
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: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -602.219087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.219087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.219087 (E_RNA)
where:
Base-Base interactions energy: -401.049
where: short stacking energy: -192.299
Base-Backbone interact. energy: -0.285
local terms energy: -200.885566
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -61.245
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -456.224730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.224730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.224730 (E_RNA)
where:
Base-Base interactions energy: -291.022
where: short stacking energy: -129.973
Base-Backbone interact. energy: 2.703
local terms energy: -167.904965
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -35.813
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: -28.078
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: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -345.969507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.969507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.969507 (E_RNA)
where:
Base-Base interactions energy: -201.623
where: short stacking energy: -98.849
Base-Backbone interact. energy: -0.597
local terms energy: -143.749312
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -12.357
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -406.270624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.270624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.270624 (E_RNA)
where:
Base-Base interactions energy: -231.603
where: short stacking energy: -98.395
Base-Backbone interact. energy: -0.357
local terms energy: -174.311261
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -334.542996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.542996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.542996 (E_RNA)
where:
Base-Base interactions energy: -198.283
where: short stacking energy: -96.833
Base-Backbone interact. energy: -0.587
local terms energy: -135.672890
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -175.024472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.024472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.024472 (E_RNA)
where:
Base-Base interactions energy: -69.898
where: short stacking energy: -54.836
Base-Backbone interact. energy: 0.886
local terms energy: -106.012181
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -4.844
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: 133
Temperature: 0.900000
Total energy: -741.072411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.072411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.072411 (E_RNA)
where:
Base-Base interactions energy: -495.709
where: short stacking energy: -223.490
Base-Backbone interact. energy: -0.837
local terms energy: -244.526346
where:
bonds (distance) C4'-P energy: -41.852
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -48.641
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -78.887
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: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -723.918738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.918738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.918738 (E_RNA)
where:
Base-Base interactions energy: -500.168
where: short stacking energy: -220.569
Base-Backbone interact. energy: -0.016
local terms energy: -223.734829
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -69.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -667.717795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.717795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.717795 (E_RNA)
where:
Base-Base interactions energy: -445.243
where: short stacking energy: -193.927
Base-Backbone interact. energy: 0.555
local terms energy: -223.030025
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -62.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -605.784008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.784008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.784008 (E_RNA)
where:
Base-Base interactions energy: -394.073
where: short stacking energy: -179.243
Base-Backbone interact. energy: -0.339
local terms energy: -211.371283
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -38.620
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -57.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -563.969659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.969659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.969659 (E_RNA)
where:
Base-Base interactions energy: -356.094
where: short stacking energy: -165.745
Base-Backbone interact. energy: -0.102
local terms energy: -207.772869
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -43.324
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -45.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -451.940762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.940762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.940762 (E_RNA)
where:
Base-Base interactions energy: -280.661
where: short stacking energy: -122.409
Base-Backbone interact. energy: -1.080
local terms energy: -170.199733
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -43.847
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -364.021079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.021079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.021079 (E_RNA)
where:
Base-Base interactions energy: -205.652
where: short stacking energy: -102.423
Base-Backbone interact. energy: 1.968
local terms energy: -160.336565
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -383.147523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.147523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.147523 (E_RNA)
where:
Base-Base interactions energy: -222.653
where: short stacking energy: -109.321
Base-Backbone interact. energy: -1.116
local terms energy: -159.378044
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -41.601
flat angles C4'-P-C4' energy: -39.748
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -413.879921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.879921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.879921 (E_RNA)
where:
Base-Base interactions energy: -247.964
where: short stacking energy: -121.551
Base-Backbone interact. energy: -0.329
local terms energy: -165.587046
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -43.930
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -180.404267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.404267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.404267 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.159
local terms energy: -120.655280
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: 6.384
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: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -742.595154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.595154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.595154 (E_RNA)
where:
Base-Base interactions energy: -499.472
where: short stacking energy: -223.758
Base-Backbone interact. energy: -2.494
local terms energy: -240.628891
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -51.358
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -72.400
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: 134
Temperature: 0.950000
Total energy: -722.515950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.515950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.515950 (E_RNA)
where:
Base-Base interactions energy: -484.890
where: short stacking energy: -224.315
Base-Backbone interact. energy: -0.842
local terms energy: -236.784161
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -72.499
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: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -684.668272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.668272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.668272 (E_RNA)
where:
Base-Base interactions energy: -471.080
where: short stacking energy: -215.654
Base-Backbone interact. energy: -0.565
local terms energy: -213.022772
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -44.586
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -652.503594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.503594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.503594 (E_RNA)
where:
Base-Base interactions energy: -429.800
where: short stacking energy: -199.988
Base-Backbone interact. energy: -1.273
local terms energy: -221.430545
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -63.829
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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -592.056463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.056463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.056463 (E_RNA)
where:
Base-Base interactions energy: -388.295
where: short stacking energy: -185.064
Base-Backbone interact. energy: -0.907
local terms energy: -202.854619
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -43.875
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -31.114
tors. eta vs tors. theta energy: -56.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -454.048925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.048925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.048925 (E_RNA)
where:
Base-Base interactions energy: -289.118
where: short stacking energy: -127.008
Base-Backbone interact. energy: -0.954
local terms energy: -163.976625
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -27.106
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: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -371.296257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.296257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.296257 (E_RNA)
where:
Base-Base interactions energy: -207.420
where: short stacking energy: -107.294
Base-Backbone interact. energy: 1.375
local terms energy: -165.251433
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -362.881591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.881591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.881591 (E_RNA)
where:
Base-Base interactions energy: -223.689
where: short stacking energy: -91.868
Base-Backbone interact. energy: -0.273
local terms energy: -138.920198
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -26.366
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: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -390.368234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.368234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.368234 (E_RNA)
where:
Base-Base interactions energy: -237.974
where: short stacking energy: -119.560
Base-Backbone interact. energy: -2.858
local terms energy: -149.536658
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -38.333
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -199.741570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.741570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.741570 (E_RNA)
where:
Base-Base interactions energy: -63.862
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.825
local terms energy: -135.054491
where:
bonds (distance) C4'-P energy: -38.035
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: 1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -735.559721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.559721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.559721 (E_RNA)
where:
Base-Base interactions energy: -511.626
where: short stacking energy: -218.901
Base-Backbone interact. energy: -0.518
local terms energy: -223.415893
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -67.176
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: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -699.485073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.485073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.485073 (E_RNA)
where:
Base-Base interactions energy: -473.611
where: short stacking energy: -213.471
Base-Backbone interact. energy: 0.392
local terms energy: -226.265579
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -68.415
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: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -699.078704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.078704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.078704 (E_RNA)
where:
Base-Base interactions energy: -478.872
where: short stacking energy: -209.768
Base-Backbone interact. energy: -0.827
local terms energy: -219.379540
where:
bonds (distance) C4'-P energy: -45.509
bonds (distance) P-C4' energy: -48.548
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -20.667
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: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -613.389480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.389480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.389480 (E_RNA)
where:
Base-Base interactions energy: -389.487
where: short stacking energy: -191.697
Base-Backbone interact. energy: 0.389
local terms energy: -224.291407
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -33.031
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: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -565.730669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.730669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.730669 (E_RNA)
where:
Base-Base interactions energy: -353.652
where: short stacking energy: -175.956
Base-Backbone interact. energy: 0.323
local terms energy: -212.400884
where:
bonds (distance) C4'-P energy: -40.650
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -54.485
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -449.501910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.501910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.501910 (E_RNA)
where:
Base-Base interactions energy: -289.303
where: short stacking energy: -136.793
Base-Backbone interact. energy: -1.278
local terms energy: -158.920843
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -385.158593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.158593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.158593 (E_RNA)
where:
Base-Base interactions energy: -215.678
where: short stacking energy: -105.907
Base-Backbone interact. energy: -0.356
local terms energy: -169.124581
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -350.397075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.397075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.397075 (E_RNA)
where:
Base-Base interactions energy: -207.413
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.251
local terms energy: -142.732792
where:
bonds (distance) C4'-P energy: -34.188
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -10.343
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: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -367.107639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.107639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.107639 (E_RNA)
where:
Base-Base interactions energy: -210.796
where: short stacking energy: -98.339
Base-Backbone interact. energy: 2.704
local terms energy: -159.014782
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -168.111539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.111539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.111539 (E_RNA)
where:
Base-Base interactions energy: -46.280
where: short stacking energy: -34.609
Base-Backbone interact. energy: -3.231
local terms energy: -118.600210
where:
bonds (distance) C4'-P energy: -34.355
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -38.755
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: 14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -740.940892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.940892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.940892 (E_RNA)
where:
Base-Base interactions energy: -505.334
where: short stacking energy: -218.573
Base-Backbone interact. energy: -0.021
local terms energy: -235.585262
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -39.860
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: -72.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -704.944930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.944930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.944930 (E_RNA)
where:
Base-Base interactions energy: -465.934
where: short stacking energy: -208.308
Base-Backbone interact. energy: 0.688
local terms energy: -239.699379
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -49.770
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -67.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -706.212943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.212943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.212943 (E_RNA)
where:
Base-Base interactions energy: -473.004
where: short stacking energy: -213.846
Base-Backbone interact. energy: -0.904
local terms energy: -232.305063
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -71.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -630.162067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.162067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.162067 (E_RNA)
where:
Base-Base interactions energy: -415.464
where: short stacking energy: -204.562
Base-Backbone interact. energy: -0.119
local terms energy: -214.579262
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -44.107
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -64.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -561.506754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.506754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.506754 (E_RNA)
where:
Base-Base interactions energy: -375.882
where: short stacking energy: -181.917
Base-Backbone interact. energy: 0.288
local terms energy: -185.912638
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -51.265
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: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -471.017216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.017216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.017216 (E_RNA)
where:
Base-Base interactions energy: -283.797
where: short stacking energy: -132.750
Base-Backbone interact. energy: 2.092
local terms energy: -189.312532
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -34.794
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: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -381.383036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.383036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.383036 (E_RNA)
where:
Base-Base interactions energy: -232.333
where: short stacking energy: -116.100
Base-Backbone interact. energy: -0.466
local terms energy: -148.583373
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -349.291438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.291438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.291438 (E_RNA)
where:
Base-Base interactions energy: -198.292
where: short stacking energy: -92.856
Base-Backbone interact. energy: -0.143
local terms energy: -150.856823
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -25.408
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: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -385.983286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.983286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.983286 (E_RNA)
where:
Base-Base interactions energy: -237.699
where: short stacking energy: -112.112
Base-Backbone interact. energy: 1.647
local terms energy: -149.931249
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -185.842131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.842131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.842131 (E_RNA)
where:
Base-Base interactions energy: -72.345
where: short stacking energy: -54.912
Base-Backbone interact. energy: 0.982
local terms energy: -114.479033
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -735.443665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.443665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.443665 (E_RNA)
where:
Base-Base interactions energy: -504.774
where: short stacking energy: -225.943
Base-Backbone interact. energy: 1.150
local terms energy: -231.819593
where:
bonds (distance) C4'-P energy: -37.764
bonds (distance) P-C4' energy: -43.296
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -35.603
tors. eta vs tors. theta energy: -70.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -706.260627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.260627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.260627 (E_RNA)
where:
Base-Base interactions energy: -484.693
where: short stacking energy: -217.716
Base-Backbone interact. energy: 0.397
local terms energy: -221.964275
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -68.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -695.961674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.961674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.961674 (E_RNA)
where:
Base-Base interactions energy: -463.740
where: short stacking energy: -226.309
Base-Backbone interact. energy: -0.121
local terms energy: -232.101251
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -47.988
flat angles P-C4'-P energy: -31.687
tors. eta vs tors. theta energy: -70.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -611.896863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.896863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.896863 (E_RNA)
where:
Base-Base interactions energy: -401.180
where: short stacking energy: -197.406
Base-Backbone interact. energy: -0.210
local terms energy: -210.506605
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -65.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -563.001912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.001912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.001912 (E_RNA)
where:
Base-Base interactions energy: -365.742
where: short stacking energy: -162.851
Base-Backbone interact. energy: 0.322
local terms energy: -197.581139
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -47.002
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: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -463.268677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.268677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.268677 (E_RNA)
where:
Base-Base interactions energy: -285.621
where: short stacking energy: -131.362
Base-Backbone interact. energy: 1.455
local terms energy: -179.103526
where:
bonds (distance) C4'-P energy: -40.961
bonds (distance) P-C4' energy: -42.780
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -37.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -414.993921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.993921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.993921 (E_RNA)
where:
Base-Base interactions energy: -269.462
where: short stacking energy: -128.459
Base-Backbone interact. energy: -1.242
local terms energy: -144.290459
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -40.874
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -406.542803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.542803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.542803 (E_RNA)
where:
Base-Base interactions energy: -240.581
where: short stacking energy: -111.943
Base-Backbone interact. energy: -0.763
local terms energy: -165.198795
where:
bonds (distance) C4'-P energy: -34.858
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -43.825
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -331.728315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.728315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.728315 (E_RNA)
where:
Base-Base interactions energy: -185.863
where: short stacking energy: -86.739
Base-Backbone interact. energy: 2.881
local terms energy: -148.745860
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -255.241709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.241709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.241709 (E_RNA)
where:
Base-Base interactions energy: -135.377
where: short stacking energy: -58.199
Base-Backbone interact. energy: 1.424
local terms energy: -121.289584
where:
bonds (distance) C4'-P energy: -38.292
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -729.589659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.589659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.589659 (E_RNA)
where:
Base-Base interactions energy: -491.778
where: short stacking energy: -208.714
Base-Backbone interact. energy: 0.422
local terms energy: -238.233498
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -65.183
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: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -724.855547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.855547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.855547 (E_RNA)
where:
Base-Base interactions energy: -487.198
where: short stacking energy: -223.172
Base-Backbone interact. energy: -0.305
local terms energy: -237.352316
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -44.260
flat angles C4'-P-C4' energy: -49.355
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -72.083
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: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -695.645590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.645590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.645590 (E_RNA)
where:
Base-Base interactions energy: -458.700
where: short stacking energy: -212.670
Base-Backbone interact. energy: -0.005
local terms energy: -236.939772
where:
bonds (distance) C4'-P energy: -39.708
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -76.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -607.951844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.951844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.951844 (E_RNA)
where:
Base-Base interactions energy: -384.304
where: short stacking energy: -188.449
Base-Backbone interact. energy: -0.616
local terms energy: -223.031761
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -46.295
flat angles P-C4'-P energy: -33.026
tors. eta vs tors. theta energy: -54.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -507.648802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.648802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.648802 (E_RNA)
where:
Base-Base interactions energy: -307.371
where: short stacking energy: -142.454
Base-Backbone interact. energy: 0.442
local terms energy: -200.719702
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -41.954
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -530.630813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.630813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.630813 (E_RNA)
where:
Base-Base interactions energy: -351.452
where: short stacking energy: -173.662
Base-Backbone interact. energy: -0.332
local terms energy: -178.847015
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -40.448
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -45.462
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -388.546252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.546252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.546252 (E_RNA)
where:
Base-Base interactions energy: -242.983
where: short stacking energy: -116.611
Base-Backbone interact. energy: 0.077
local terms energy: -145.640699
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -36.591
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -369.655890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.655890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.655890 (E_RNA)
where:
Base-Base interactions energy: -224.742
where: short stacking energy: -100.146
Base-Backbone interact. energy: 4.171
local terms energy: -149.085391
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -23.545
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: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -340.293999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.293999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.293999 (E_RNA)
where:
Base-Base interactions energy: -193.396
where: short stacking energy: -89.169
Base-Backbone interact. energy: 0.571
local terms energy: -147.468642
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -19.170
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -237.172062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.172062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.172062 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -73.800
Base-Backbone interact. energy: 2.592
local terms energy: -120.633338
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -30.123
flat angles C4'-P-C4' energy: -37.875
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: 0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -723.282272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.282272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.282272 (E_RNA)
where:
Base-Base interactions energy: -495.306
where: short stacking energy: -217.768
Base-Backbone interact. energy: -0.496
local terms energy: -227.480175
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -45.319
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -68.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -708.902474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.902474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.902474 (E_RNA)
where:
Base-Base interactions energy: -486.158
where: short stacking energy: -224.660
Base-Backbone interact. energy: -0.099
local terms energy: -222.645958
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -31.676
tors. eta vs tors. theta energy: -69.340
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: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -701.197799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.197799 (E_RNA)
where:
Base-Base interactions energy: -473.527
where: short stacking energy: -212.147
Base-Backbone interact. energy: -0.192
local terms energy: -227.479569
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -40.183
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -63.145
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: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -628.162347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.162347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.162347 (E_RNA)
where:
Base-Base interactions energy: -412.188
where: short stacking energy: -195.488
Base-Backbone interact. energy: -0.139
local terms energy: -215.835377
where:
bonds (distance) C4'-P energy: -44.159
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -46.548
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -63.178
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: 139
Temperature: 1.100000
Total energy: -507.483996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.483996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.483996 (E_RNA)
where:
Base-Base interactions energy: -317.444
where: short stacking energy: -151.515
Base-Backbone interact. energy: 1.289
local terms energy: -191.329202
where:
bonds (distance) C4'-P energy: -41.728
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -41.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -529.018859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.018859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.018859 (E_RNA)
where:
Base-Base interactions energy: -343.534
where: short stacking energy: -143.873
Base-Backbone interact. energy: -1.312
local terms energy: -184.172820
where:
bonds (distance) C4'-P energy: -41.999
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -39.923
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -39.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -350.436495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.436495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.436495 (E_RNA)
where:
Base-Base interactions energy: -193.707
where: short stacking energy: -104.398
Base-Backbone interact. energy: 1.202
local terms energy: -157.931466
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -34.138
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -337.315622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.315622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.315622 (E_RNA)
where:
Base-Base interactions energy: -189.797
where: short stacking energy: -90.792
Base-Backbone interact. energy: -0.877
local terms energy: -146.641646
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -326.524437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.524437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.524437 (E_RNA)
where:
Base-Base interactions energy: -175.264
where: short stacking energy: -90.085
Base-Backbone interact. energy: -0.416
local terms energy: -150.844387
where:
bonds (distance) C4'-P energy: -36.475
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -32.587
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -230.926492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.926492 (E_RNA)
where:
Base-Base interactions energy: -106.565
where: short stacking energy: -59.497
Base-Backbone interact. energy: 0.608
local terms energy: -124.969765
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -723.747358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.747358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.747358 (E_RNA)
where:
Base-Base interactions energy: -472.014
where: short stacking energy: -209.955
Base-Backbone interact. energy: -0.834
local terms energy: -250.899423
where:
bonds (distance) C4'-P energy: -49.969
bonds (distance) P-C4' energy: -47.640
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -66.311
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: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -723.286582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.286582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.286582 (E_RNA)
where:
Base-Base interactions energy: -489.822
where: short stacking energy: -221.822
Base-Backbone interact. energy: -1.492
local terms energy: -231.973394
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -43.578
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -72.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -701.549887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.549887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.549887 (E_RNA)
where:
Base-Base interactions energy: -476.205
where: short stacking energy: -216.863
Base-Backbone interact. energy: -0.106
local terms energy: -225.238961
where:
bonds (distance) C4'-P energy: -35.108
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -42.294
flat angles P-C4'-P energy: -32.082
tors. eta vs tors. theta energy: -70.461
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: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -621.492404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.492404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.492404 (E_RNA)
where:
Base-Base interactions energy: -404.207
where: short stacking energy: -195.221
Base-Backbone interact. energy: -0.144
local terms energy: -217.141112
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -44.169
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -63.068
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: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -564.314459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.314459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.314459 (E_RNA)
where:
Base-Base interactions energy: -361.829
where: short stacking energy: -175.562
Base-Backbone interact. energy: -2.337
local terms energy: -200.148037
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -37.489
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -51.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -502.646302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.646302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.646302 (E_RNA)
where:
Base-Base interactions energy: -302.522
where: short stacking energy: -155.195
Base-Backbone interact. energy: 0.158
local terms energy: -200.281723
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -32.515
tors. eta vs tors. theta energy: -45.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -363.840448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.840448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.840448 (E_RNA)
where:
Base-Base interactions energy: -211.760
where: short stacking energy: -114.833
Base-Backbone interact. energy: -0.238
local terms energy: -151.842896
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -35.652
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -325.188070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.188070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.188070 (E_RNA)
where:
Base-Base interactions energy: -171.976
where: short stacking energy: -103.290
Base-Backbone interact. energy: -0.637
local terms energy: -152.574935
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -333.459781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.459781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.459781 (E_RNA)
where:
Base-Base interactions energy: -199.420
where: short stacking energy: -96.926
Base-Backbone interact. energy: -0.580
local terms energy: -133.459707
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -40.803
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -268.320944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.320944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.320944 (E_RNA)
where:
Base-Base interactions energy: -127.825
where: short stacking energy: -78.781
Base-Backbone interact. energy: -0.549
local terms energy: -139.947157
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -14.924
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: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -725.878461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.878461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.878461 (E_RNA)
where:
Base-Base interactions energy: -484.828
where: short stacking energy: -221.994
Base-Backbone interact. energy: -0.341
local terms energy: -240.709732
where:
bonds (distance) C4'-P energy: -40.173
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -71.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -715.330653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.330653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.330653 (E_RNA)
where:
Base-Base interactions energy: -474.352
where: short stacking energy: -222.625
Base-Backbone interact. energy: -0.005
local terms energy: -240.973314
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -36.202
tors. eta vs tors. theta energy: -72.868
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: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -705.378508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.378508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.378508 (E_RNA)
where:
Base-Base interactions energy: -483.380
where: short stacking energy: -214.685
Base-Backbone interact. energy: -0.032
local terms energy: -221.967163
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -67.621
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: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -596.013938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.013938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.013938 (E_RNA)
where:
Base-Base interactions energy: -401.749
where: short stacking energy: -179.686
Base-Backbone interact. energy: -0.290
local terms energy: -193.974946
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -576.138339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.138339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.138339 (E_RNA)
where:
Base-Base interactions energy: -385.002
where: short stacking energy: -179.119
Base-Backbone interact. energy: -0.864
local terms energy: -190.271738
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -41.299
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -29.148
tors. eta vs tors. theta energy: -50.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -484.899512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.899512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.899512 (E_RNA)
where:
Base-Base interactions energy: -303.829
where: short stacking energy: -134.968
Base-Backbone interact. energy: 0.706
local terms energy: -181.776661
where:
bonds (distance) C4'-P energy: -40.845
bonds (distance) P-C4' energy: -39.942
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -38.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -363.335794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.335794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.335794 (E_RNA)
where:
Base-Base interactions energy: -216.810
where: short stacking energy: -116.337
Base-Backbone interact. energy: -1.068
local terms energy: -145.457888
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -378.850723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.850723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.850723 (E_RNA)
where:
Base-Base interactions energy: -227.599
where: short stacking energy: -115.458
Base-Backbone interact. energy: 0.926
local terms energy: -152.177956
where:
bonds (distance) C4'-P energy: -37.211
bonds (distance) P-C4' energy: -38.900
flat angles C4'-P-C4' energy: -39.216
flat angles P-C4'-P energy: -13.657
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: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -326.893145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.893145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.893145 (E_RNA)
where:
Base-Base interactions energy: -186.724
where: short stacking energy: -97.966
Base-Backbone interact. energy: 1.282
local terms energy: -141.451284
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -247.215961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.215961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.215961 (E_RNA)
where:
Base-Base interactions energy: -121.115
where: short stacking energy: -70.087
Base-Backbone interact. energy: -0.334
local terms energy: -125.767547
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -721.796106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.796106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.796106 (E_RNA)
where:
Base-Base interactions energy: -486.532
where: short stacking energy: -229.551
Base-Backbone interact. energy: -0.017
local terms energy: -235.247228
where:
bonds (distance) C4'-P energy: -42.321
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -70.724
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: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -695.988682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.988682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.988682 (E_RNA)
where:
Base-Base interactions energy: -460.911
where: short stacking energy: -205.471
Base-Backbone interact. energy: -0.689
local terms energy: -234.389193
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -48.549
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -67.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -703.960497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.960497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.960497 (E_RNA)
where:
Base-Base interactions energy: -482.900
where: short stacking energy: -217.800
Base-Backbone interact. energy: 0.037
local terms energy: -221.097196
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -74.052
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: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -613.395510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.395510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.395510 (E_RNA)
where:
Base-Base interactions energy: -395.401
where: short stacking energy: -197.093
Base-Backbone interact. energy: 0.292
local terms energy: -218.287394
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -47.305
flat angles P-C4'-P energy: -33.264
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -587.494867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.494867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.494867 (E_RNA)
where:
Base-Base interactions energy: -370.429
where: short stacking energy: -177.240
Base-Backbone interact. energy: 0.012
local terms energy: -217.078002
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -45.221
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -55.122
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: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -477.582297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.582297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.582297 (E_RNA)
where:
Base-Base interactions energy: -304.359
where: short stacking energy: -139.354
Base-Backbone interact. energy: 0.961
local terms energy: -174.184113
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -43.356
flat angles P-C4'-P energy: -30.052
tors. eta vs tors. theta energy: -35.834
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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -404.339077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.339077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.339077 (E_RNA)
where:
Base-Base interactions energy: -238.609
where: short stacking energy: -128.432
Base-Backbone interact. energy: -0.443
local terms energy: -165.287059
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -44.317
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -25.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -357.745756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.745756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.745756 (E_RNA)
where:
Base-Base interactions energy: -196.620
where: short stacking energy: -99.922
Base-Backbone interact. energy: -1.212
local terms energy: -159.913432
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -20.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -355.797263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.797263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.797263 (E_RNA)
where:
Base-Base interactions energy: -199.638
where: short stacking energy: -92.646
Base-Backbone interact. energy: 0.982
local terms energy: -157.141966
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -244.388664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.388664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.388664 (E_RNA)
where:
Base-Base interactions energy: -116.456
where: short stacking energy: -57.946
Base-Backbone interact. energy: -0.617
local terms energy: -127.315827
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -38.524
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -722.250252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.250252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.250252 (E_RNA)
where:
Base-Base interactions energy: -480.875
where: short stacking energy: -212.220
Base-Backbone interact. energy: -1.434
local terms energy: -239.941412
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -72.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -715.350716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.350716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.350716 (E_RNA)
where:
Base-Base interactions energy: -502.579
where: short stacking energy: -221.329
Base-Backbone interact. energy: -0.370
local terms energy: -212.401502
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -41.458
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -67.570
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: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -673.486735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.486735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.486735 (E_RNA)
where:
Base-Base interactions energy: -454.337
where: short stacking energy: -210.243
Base-Backbone interact. energy: 1.962
local terms energy: -221.112012
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -50.658
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -65.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -599.411152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.411152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.411152 (E_RNA)
where:
Base-Base interactions energy: -391.011
where: short stacking energy: -194.418
Base-Backbone interact. energy: -1.252
local terms energy: -207.147683
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -55.976
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: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -573.650108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.650108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.650108 (E_RNA)
where:
Base-Base interactions energy: -367.519
where: short stacking energy: -169.746
Base-Backbone interact. energy: -2.172
local terms energy: -203.958952
where:
bonds (distance) C4'-P energy: -43.001
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -32.825
tors. eta vs tors. theta energy: -49.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -467.132654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.132654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.132654 (E_RNA)
where:
Base-Base interactions energy: -300.284
where: short stacking energy: -138.534
Base-Backbone interact. energy: 2.214
local terms energy: -169.063171
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -30.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -407.190642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.190642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.190642 (E_RNA)
where:
Base-Base interactions energy: -249.556
where: short stacking energy: -128.854
Base-Backbone interact. energy: 0.933
local terms energy: -158.568131
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -340.154127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.154127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.154127 (E_RNA)
where:
Base-Base interactions energy: -192.160
where: short stacking energy: -91.580
Base-Backbone interact. energy: -2.059
local terms energy: -145.935565
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -313.067035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.067035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.067035 (E_RNA)
where:
Base-Base interactions energy: -194.136
where: short stacking energy: -97.589
Base-Backbone interact. energy: -0.484
local terms energy: -118.447466
where:
bonds (distance) C4'-P energy: -23.418
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -250.790222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.790222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.790222 (E_RNA)
where:
Base-Base interactions energy: -135.724
where: short stacking energy: -75.683
Base-Backbone interact. energy: 1.303
local terms energy: -116.369479
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -744.098977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.098977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.098977 (E_RNA)
where:
Base-Base interactions energy: -504.920
where: short stacking energy: -229.169
Base-Backbone interact. energy: -1.023
local terms energy: -238.155743
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -46.030
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -67.745
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: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -718.353393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.353393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.353393 (E_RNA)
where:
Base-Base interactions energy: -475.847
where: short stacking energy: -213.803
Base-Backbone interact. energy: 0.623
local terms energy: -243.129021
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -39.849
flat angles C4'-P-C4' energy: -53.351
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -69.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -666.553483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.553483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.553483 (E_RNA)
where:
Base-Base interactions energy: -444.925
where: short stacking energy: -203.070
Base-Backbone interact. energy: -0.177
local terms energy: -221.451771
where:
bonds (distance) C4'-P energy: -36.500
bonds (distance) P-C4' energy: -40.018
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -610.244774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.244774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.244774 (E_RNA)
where:
Base-Base interactions energy: -411.006
where: short stacking energy: -183.464
Base-Backbone interact. energy: -1.413
local terms energy: -197.825811
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -52.741
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -586.526971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.526971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.526971 (E_RNA)
where:
Base-Base interactions energy: -377.970
where: short stacking energy: -177.135
Base-Backbone interact. energy: -0.038
local terms energy: -208.519013
where:
bonds (distance) C4'-P energy: -38.058
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -57.853
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: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -491.082408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.082408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.082408 (E_RNA)
where:
Base-Base interactions energy: -310.938
where: short stacking energy: -135.052
Base-Backbone interact. energy: -0.576
local terms energy: -179.568290
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -38.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -419.926548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.926548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.926548 (E_RNA)
where:
Base-Base interactions energy: -254.009
where: short stacking energy: -126.816
Base-Backbone interact. energy: -0.224
local terms energy: -165.693390
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -40.843
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -361.368346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.368346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.368346 (E_RNA)
where:
Base-Base interactions energy: -208.161
where: short stacking energy: -126.785
Base-Backbone interact. energy: 0.290
local terms energy: -153.497181
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -277.379018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.379018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.379018 (E_RNA)
where:
Base-Base interactions energy: -155.242
where: short stacking energy: -89.063
Base-Backbone interact. energy: 2.839
local terms energy: -124.976266
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -38.984
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -9.690
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -316.790105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.790105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.790105 (E_RNA)
where:
Base-Base interactions energy: -186.650
where: short stacking energy: -100.239
Base-Backbone interact. energy: 0.768
local terms energy: -130.908684
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -747.557037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.557037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.557037 (E_RNA)
where:
Base-Base interactions energy: -504.611
where: short stacking energy: -232.787
Base-Backbone interact. energy: -0.055
local terms energy: -242.890983
where:
bonds (distance) C4'-P energy: -43.070
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -75.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -706.656873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.656873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.656873 (E_RNA)
where:
Base-Base interactions energy: -463.427
where: short stacking energy: -214.160
Base-Backbone interact. energy: -1.029
local terms energy: -242.200429
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -42.421
flat angles C4'-P-C4' energy: -51.929
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -71.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -675.530231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.530231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.530231 (E_RNA)
where:
Base-Base interactions energy: -450.619
where: short stacking energy: -201.581
Base-Backbone interact. energy: -0.511
local terms energy: -224.399805
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -43.783
flat angles C4'-P-C4' energy: -49.202
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -67.342
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: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -624.771501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.771501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.771501 (E_RNA)
where:
Base-Base interactions energy: -416.876
where: short stacking energy: -205.790
Base-Backbone interact. energy: -0.424
local terms energy: -207.470825
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -38.431
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -58.341
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -579.719633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.719633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.719633 (E_RNA)
where:
Base-Base interactions energy: -393.996
where: short stacking energy: -171.078
Base-Backbone interact. energy: -1.728
local terms energy: -183.996226
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -490.019696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.019696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.019696 (E_RNA)
where:
Base-Base interactions energy: -320.640
where: short stacking energy: -147.996
Base-Backbone interact. energy: 1.693
local terms energy: -171.073339
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -36.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -434.243891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.243891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.243891 (E_RNA)
where:
Base-Base interactions energy: -281.648
where: short stacking energy: -131.733
Base-Backbone interact. energy: 1.430
local terms energy: -154.026626
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -23.705
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: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -351.452287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.452287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.452287 (E_RNA)
where:
Base-Base interactions energy: -197.721
where: short stacking energy: -96.041
Base-Backbone interact. energy: 0.847
local terms energy: -154.578746
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -278.537532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.537532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.537532 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -87.246
Base-Backbone interact. energy: -0.489
local terms energy: -136.559242
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -42.877
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -296.150295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.150295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.150295 (E_RNA)
where:
Base-Base interactions energy: -162.716
where: short stacking energy: -92.747
Base-Backbone interact. energy: 0.582
local terms energy: -134.016099
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -33.632
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -746.040368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.040368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.040368 (E_RNA)
where:
Base-Base interactions energy: -495.784
where: short stacking energy: -218.893
Base-Backbone interact. energy: 0.815
local terms energy: -251.072033
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -48.102
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -73.329
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: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -716.595744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.595744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.595744 (E_RNA)
where:
Base-Base interactions energy: -478.236
where: short stacking energy: -217.964
Base-Backbone interact. energy: -0.340
local terms energy: -238.019515
where:
bonds (distance) C4'-P energy: -44.305
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -43.466
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -74.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -680.816384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.816384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.816384 (E_RNA)
where:
Base-Base interactions energy: -456.285
where: short stacking energy: -206.038
Base-Backbone interact. energy: -1.076
local terms energy: -223.455767
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -44.502
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -68.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -621.010035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.010035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.010035 (E_RNA)
where:
Base-Base interactions energy: -402.593
where: short stacking energy: -183.124
Base-Backbone interact. energy: 0.385
local terms energy: -218.801450
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -48.465
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -61.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -555.947583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.947583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.947583 (E_RNA)
where:
Base-Base interactions energy: -360.376
where: short stacking energy: -178.495
Base-Backbone interact. energy: -1.118
local terms energy: -194.453001
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -49.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -467.164167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.164167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.164167 (E_RNA)
where:
Base-Base interactions energy: -286.962
where: short stacking energy: -133.710
Base-Backbone interact. energy: -0.061
local terms energy: -180.140864
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -32.845
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: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -439.542184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.542184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.542184 (E_RNA)
where:
Base-Base interactions energy: -275.471
where: short stacking energy: -135.603
Base-Backbone interact. energy: -0.862
local terms energy: -163.208749
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -46.994
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -24.223
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: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -347.824377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.824377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.824377 (E_RNA)
where:
Base-Base interactions energy: -204.312
where: short stacking energy: -116.083
Base-Backbone interact. energy: -0.678
local terms energy: -142.834897
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -37.409
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -19.365
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -333.097776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.097776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.097776 (E_RNA)
where:
Base-Base interactions energy: -173.571
where: short stacking energy: -82.101
Base-Backbone interact. energy: -0.380
local terms energy: -159.146880
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -270.694703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.694703 (E_RNA)
where:
Base-Base interactions energy: -146.082
where: short stacking energy: -80.444
Base-Backbone interact. energy: -1.091
local terms energy: -123.522432
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -40.747
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -749.449205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.449205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.449205 (E_RNA)
where:
Base-Base interactions energy: -507.488
where: short stacking energy: -215.212
Base-Backbone interact. energy: -0.413
local terms energy: -241.548411
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -74.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -708.588760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.588760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.588760 (E_RNA)
where:
Base-Base interactions energy: -484.882
where: short stacking energy: -211.488
Base-Backbone interact. energy: -0.068
local terms energy: -223.638304
where:
bonds (distance) C4'-P energy: -45.558
bonds (distance) P-C4' energy: -39.426
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -66.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -695.094864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.094864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.094864 (E_RNA)
where:
Base-Base interactions energy: -453.683
where: short stacking energy: -207.561
Base-Backbone interact. energy: -1.067
local terms energy: -240.345606
where:
bonds (distance) C4'-P energy: -42.184
bonds (distance) P-C4' energy: -40.924
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -72.694
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -592.471172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.471172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.471172 (E_RNA)
where:
Base-Base interactions energy: -389.927
where: short stacking energy: -185.039
Base-Backbone interact. energy: -0.635
local terms energy: -201.908829
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -43.700
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -48.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -526.097439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.097439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.097439 (E_RNA)
where:
Base-Base interactions energy: -339.311
where: short stacking energy: -157.088
Base-Backbone interact. energy: -1.057
local terms energy: -185.730224
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -44.139
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -36.831
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: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -474.327062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.327062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.327062 (E_RNA)
where:
Base-Base interactions energy: -286.459
where: short stacking energy: -142.122
Base-Backbone interact. energy: 0.540
local terms energy: -188.407186
where:
bonds (distance) C4'-P energy: -39.106
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -30.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -407.853048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.853048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.853048 (E_RNA)
where:
Base-Base interactions energy: -251.088
where: short stacking energy: -118.677
Base-Backbone interact. energy: 0.852
local terms energy: -157.617694
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -361.420625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.420625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.420625 (E_RNA)
where:
Base-Base interactions energy: -210.864
where: short stacking energy: -113.800
Base-Backbone interact. energy: -1.317
local terms energy: -149.239735
where:
bonds (distance) C4'-P energy: -31.772
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -351.062146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.062146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.062146 (E_RNA)
where:
Base-Base interactions energy: -200.913
where: short stacking energy: -109.745
Base-Backbone interact. energy: -0.316
local terms energy: -149.833293
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -23.950
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -222.676067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.676067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.676067 (E_RNA)
where:
Base-Base interactions energy: -100.431
where: short stacking energy: -64.439
Base-Backbone interact. energy: 2.362
local terms energy: -124.606750
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -764.648369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.648369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.648369 (E_RNA)
where:
Base-Base interactions energy: -519.419
where: short stacking energy: -236.606
Base-Backbone interact. energy: -0.435
local terms energy: -244.795008
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -50.495
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -78.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -698.326706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.326706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.326706 (E_RNA)
where:
Base-Base interactions energy: -474.157
where: short stacking energy: -207.346
Base-Backbone interact. energy: -0.876
local terms energy: -223.293454
where:
bonds (distance) C4'-P energy: -36.853
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -42.177
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -70.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -679.828787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.828787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.828787 (E_RNA)
where:
Base-Base interactions energy: -454.598
where: short stacking energy: -211.963
Base-Backbone interact. energy: -0.306
local terms energy: -224.924713
where:
bonds (distance) C4'-P energy: -42.217
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -63.619
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: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -628.699292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.699292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.699292 (E_RNA)
where:
Base-Base interactions energy: -429.234
where: short stacking energy: -183.993
Base-Backbone interact. energy: -0.333
local terms energy: -199.131894
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -54.415
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: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -555.367511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.367511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.367511 (E_RNA)
where:
Base-Base interactions energy: -373.502
where: short stacking energy: -166.484
Base-Backbone interact. energy: 3.486
local terms energy: -185.351505
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -41.782
flat angles C4'-P-C4' energy: -44.579
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -45.874
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: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -481.603410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.603410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.603410 (E_RNA)
where:
Base-Base interactions energy: -287.636
where: short stacking energy: -143.812
Base-Backbone interact. energy: 0.935
local terms energy: -194.903054
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -37.945
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -417.429022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.429022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.429022 (E_RNA)
where:
Base-Base interactions energy: -248.238
where: short stacking energy: -119.664
Base-Backbone interact. energy: 2.030
local terms energy: -171.220585
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -38.280
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -29.639
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: 148
Temperature: 1.250000
Total energy: -365.570338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.570338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.570338 (E_RNA)
where:
Base-Base interactions energy: -213.534
where: short stacking energy: -113.190
Base-Backbone interact. energy: -0.342
local terms energy: -151.694709
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -39.796
flat angles C4'-P-C4' energy: -32.291
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -315.895685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.895685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.895685 (E_RNA)
where:
Base-Base interactions energy: -192.314
where: short stacking energy: -97.749
Base-Backbone interact. energy: 2.507
local terms energy: -126.088333
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -42.272
flat angles C4'-P-C4' energy: -25.521
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -176.269496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269496 (E_RNA)
where:
Base-Base interactions energy: -60.935
where: short stacking energy: -58.004
Base-Backbone interact. energy: -1.090
local terms energy: -114.244083
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: 4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -742.401849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.401849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.401849 (E_RNA)
where:
Base-Base interactions energy: -513.176
where: short stacking energy: -231.637
Base-Backbone interact. energy: -0.419
local terms energy: -228.806763
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -72.490
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -713.819938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.819938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.819938 (E_RNA)
where:
Base-Base interactions energy: -477.975
where: short stacking energy: -212.575
Base-Backbone interact. energy: -0.652
local terms energy: -235.192639
where:
bonds (distance) C4'-P energy: -43.628
bonds (distance) P-C4' energy: -40.504
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -69.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -680.802149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.802149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.802149 (E_RNA)
where:
Base-Base interactions energy: -459.031
where: short stacking energy: -213.428
Base-Backbone interact. energy: -0.006
local terms energy: -221.765503
where:
bonds (distance) C4'-P energy: -40.609
bonds (distance) P-C4' energy: -44.956
flat angles C4'-P-C4' energy: -43.479
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -68.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -635.465368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.465368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.465368 (E_RNA)
where:
Base-Base interactions energy: -411.491
where: short stacking energy: -189.159
Base-Backbone interact. energy: -0.746
local terms energy: -223.228625
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -61.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -577.605376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.605376 (E_RNA)
where:
Base-Base interactions energy: -379.584
where: short stacking energy: -163.920
Base-Backbone interact. energy: -0.796
local terms energy: -197.225882
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: -59.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -448.586191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.586191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.586191 (E_RNA)
where:
Base-Base interactions energy: -272.287
where: short stacking energy: -136.873
Base-Backbone interact. energy: -0.251
local terms energy: -176.048213
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -42.647
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -27.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -433.635323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.635323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.635323 (E_RNA)
where:
Base-Base interactions energy: -265.373
where: short stacking energy: -115.233
Base-Backbone interact. energy: 1.819
local terms energy: -170.080845
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -43.581
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -372.060144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.060144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.060144 (E_RNA)
where:
Base-Base interactions energy: -220.213
where: short stacking energy: -110.136
Base-Backbone interact. energy: -0.802
local terms energy: -151.045335
where:
bonds (distance) C4'-P energy: -37.268
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -22.005
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -348.400989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.400989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.400989 (E_RNA)
where:
Base-Base interactions energy: -219.988
where: short stacking energy: -116.106
Base-Backbone interact. energy: -0.722
local terms energy: -127.690899
where:
bonds (distance) C4'-P energy: -35.306
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -186.801177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.801177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.801177 (E_RNA)
where:
Base-Base interactions energy: -48.021
where: short stacking energy: -44.907
Base-Backbone interact. energy: -0.474
local terms energy: -138.306427
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -7.125
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -738.327367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.327367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.327367 (E_RNA)
where:
Base-Base interactions energy: -502.541
where: short stacking energy: -231.692
Base-Backbone interact. energy: -0.199
local terms energy: -235.587401
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -73.745
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: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -716.963352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.963352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.963352 (E_RNA)
where:
Base-Base interactions energy: -491.188
where: short stacking energy: -211.011
Base-Backbone interact. energy: -0.753
local terms energy: -225.022055
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -42.021
flat angles C4'-P-C4' energy: -44.708
flat angles P-C4'-P energy: -34.930
tors. eta vs tors. theta energy: -71.203
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: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -683.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.217422 (E_RNA)
where:
Base-Base interactions energy: -450.700
where: short stacking energy: -201.536
Base-Backbone interact. energy: -0.351
local terms energy: -232.165880
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: -69.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -639.971732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.971732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.971732 (E_RNA)
where:
Base-Base interactions energy: -436.551
where: short stacking energy: -189.169
Base-Backbone interact. energy: -0.276
local terms energy: -203.144356
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -55.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -576.742444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.742444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.742444 (E_RNA)
where:
Base-Base interactions energy: -384.647
where: short stacking energy: -186.536
Base-Backbone interact. energy: -0.639
local terms energy: -191.456694
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -53.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -456.798922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.798922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.798922 (E_RNA)
where:
Base-Base interactions energy: -295.900
where: short stacking energy: -142.652
Base-Backbone interact. energy: -1.213
local terms energy: -159.685976
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -40.304
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -28.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -441.232576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.232576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.232576 (E_RNA)
where:
Base-Base interactions energy: -264.814
where: short stacking energy: -124.062
Base-Backbone interact. energy: -1.672
local terms energy: -174.747381
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -38.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -379.608749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.608749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.608749 (E_RNA)
where:
Base-Base interactions energy: -223.743
where: short stacking energy: -106.517
Base-Backbone interact. energy: 0.171
local terms energy: -156.036552
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -17.760
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: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -342.964104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.964104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.964104 (E_RNA)
where:
Base-Base interactions energy: -189.645
where: short stacking energy: -104.602
Base-Backbone interact. energy: -1.152
local terms energy: -152.167684
where:
bonds (distance) C4'-P energy: -37.572
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -185.232221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.232221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.232221 (E_RNA)
where:
Base-Base interactions energy: -70.496
where: short stacking energy: -49.820
Base-Backbone interact. energy: 2.248
local terms energy: -116.984748
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: 7.512
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: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -741.587464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.587464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.587464 (E_RNA)
where:
Base-Base interactions energy: -498.960
where: short stacking energy: -222.086
Base-Backbone interact. energy: -0.321
local terms energy: -242.306198
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -48.203
flat angles C4'-P-C4' energy: -52.239
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -71.104
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: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -701.692660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.692660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.692660 (E_RNA)
where:
Base-Base interactions energy: -465.442
where: short stacking energy: -213.630
Base-Backbone interact. energy: -0.121
local terms energy: -236.128825
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -44.358
flat angles C4'-P-C4' energy: -48.314
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -76.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -688.594953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.594953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.594953 (E_RNA)
where:
Base-Base interactions energy: -464.103
where: short stacking energy: -205.143
Base-Backbone interact. energy: -0.524
local terms energy: -223.968768
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -42.302
flat angles C4'-P-C4' energy: -47.021
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -66.476
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: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -620.801048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.801048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.801048 (E_RNA)
where:
Base-Base interactions energy: -418.311
where: short stacking energy: -184.639
Base-Backbone interact. energy: -0.255
local terms energy: -202.235038
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -52.131
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -567.514584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.514584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.514584 (E_RNA)
where:
Base-Base interactions energy: -382.585
where: short stacking energy: -175.399
Base-Backbone interact. energy: 1.086
local terms energy: -186.015246
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -21.406
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -479.267806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.267806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.267806 (E_RNA)
where:
Base-Base interactions energy: -304.972
where: short stacking energy: -137.374
Base-Backbone interact. energy: -1.320
local terms energy: -172.976187
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -42.579
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -31.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -446.022441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.022441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.022441 (E_RNA)
where:
Base-Base interactions energy: -274.774
where: short stacking energy: -133.664
Base-Backbone interact. energy: -0.448
local terms energy: -170.800195
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -34.895
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: 151
Temperature: 1.250000
Total energy: -372.929435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.929435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.929435 (E_RNA)
where:
Base-Base interactions energy: -228.200
where: short stacking energy: -117.050
Base-Backbone interact. energy: 2.291
local terms energy: -147.020614
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -337.541655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.541655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.541655 (E_RNA)
where:
Base-Base interactions energy: -179.796
where: short stacking energy: -91.058
Base-Backbone interact. energy: -1.129
local terms energy: -156.616782
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -182.807104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.807104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.807104 (E_RNA)
where:
Base-Base interactions energy: -68.437
where: short stacking energy: -59.396
Base-Backbone interact. energy: -0.403
local terms energy: -113.966783
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: 2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -750.599207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.599207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.599207 (E_RNA)
where:
Base-Base interactions energy: -514.242
where: short stacking energy: -232.828
Base-Backbone interact. energy: -0.051
local terms energy: -236.306677
where:
bonds (distance) C4'-P energy: -42.265
bonds (distance) P-C4' energy: -42.127
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -31.940
tors. eta vs tors. theta energy: -72.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -719.577508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.577508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.577508 (E_RNA)
where:
Base-Base interactions energy: -475.802
where: short stacking energy: -214.652
Base-Backbone interact. energy: -0.066
local terms energy: -243.709993
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -75.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -701.187165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.187165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.187165 (E_RNA)
where:
Base-Base interactions energy: -468.310
where: short stacking energy: -204.903
Base-Backbone interact. energy: -0.026
local terms energy: -232.850808
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -47.570
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -63.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -626.816498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.816498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.816498 (E_RNA)
where:
Base-Base interactions energy: -414.165
where: short stacking energy: -195.658
Base-Backbone interact. energy: -1.051
local terms energy: -211.599888
where:
bonds (distance) C4'-P energy: -38.150
bonds (distance) P-C4' energy: -42.887
flat angles C4'-P-C4' energy: -40.124
flat angles P-C4'-P energy: -32.616
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: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -565.044387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.044387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.044387 (E_RNA)
where:
Base-Base interactions energy: -356.180
where: short stacking energy: -158.661
Base-Backbone interact. energy: -1.803
local terms energy: -207.062034
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -50.311
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: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -467.412590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.412590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.412590 (E_RNA)
where:
Base-Base interactions energy: -273.620
where: short stacking energy: -142.900
Base-Backbone interact. energy: 0.238
local terms energy: -194.031153
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -33.598
tors. eta vs tors. theta energy: -44.202
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -461.129670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.129670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.129670 (E_RNA)
where:
Base-Base interactions energy: -303.658
where: short stacking energy: -131.108
Base-Backbone interact. energy: -1.084
local terms energy: -156.387841
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -374.624702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.624702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.624702 (E_RNA)
where:
Base-Base interactions energy: -225.069
where: short stacking energy: -113.710
Base-Backbone interact. energy: -0.803
local terms energy: -148.752525
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -23.308
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: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -336.465442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.465442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.465442 (E_RNA)
where:
Base-Base interactions energy: -200.520
where: short stacking energy: -85.473
Base-Backbone interact. energy: -3.210
local terms energy: -132.735540
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -214.376769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.376769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.376769 (E_RNA)
where:
Base-Base interactions energy: -81.794
where: short stacking energy: -77.342
Base-Backbone interact. energy: -0.213
local terms energy: -132.369220
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -40.731
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -3.545
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: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -736.657937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.657937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.657937 (E_RNA)
where:
Base-Base interactions energy: -491.202
where: short stacking energy: -220.029
Base-Backbone interact. energy: -0.721
local terms energy: -244.734731
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -48.342
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -32.922
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: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -701.676492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.676492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.676492 (E_RNA)
where:
Base-Base interactions energy: -482.613
where: short stacking energy: -215.902
Base-Backbone interact. energy: -1.048
local terms energy: -218.015046
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -48.483
flat angles P-C4'-P energy: -30.823
tors. eta vs tors. theta energy: -64.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -692.270320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.270320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.270320 (E_RNA)
where:
Base-Base interactions energy: -469.598
where: short stacking energy: -204.707
Base-Backbone interact. energy: -0.109
local terms energy: -222.563224
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -43.187
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -71.894
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: 153
Temperature: 1.050000
Total energy: -617.177248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.177248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.177248 (E_RNA)
where:
Base-Base interactions energy: -405.279
where: short stacking energy: -187.379
Base-Backbone interact. energy: -0.454
local terms energy: -211.444300
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -56.835
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: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -570.776930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.776930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.776930 (E_RNA)
where:
Base-Base interactions energy: -381.417
where: short stacking energy: -166.072
Base-Backbone interact. energy: -0.696
local terms energy: -188.664758
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -45.340
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: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -453.597555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.597555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.597555 (E_RNA)
where:
Base-Base interactions energy: -271.716
where: short stacking energy: -139.465
Base-Backbone interact. energy: -0.960
local terms energy: -180.921150
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -42.958
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -39.583
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: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -487.282093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.282093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.282093 (E_RNA)
where:
Base-Base interactions energy: -326.394
where: short stacking energy: -149.418
Base-Backbone interact. energy: -0.699
local terms energy: -160.188410
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -40.185
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: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -349.521339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.521339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.521339 (E_RNA)
where:
Base-Base interactions energy: -190.835
where: short stacking energy: -107.067
Base-Backbone interact. energy: 2.655
local terms energy: -161.341848
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -42.927
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -365.882374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.882374 (E_RNA)
where:
Base-Base interactions energy: -220.535
where: short stacking energy: -107.939
Base-Backbone interact. energy: -0.099
local terms energy: -145.247983
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -177.026324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026324 (E_RNA)
where:
Base-Base interactions energy: -56.930
where: short stacking energy: -46.135
Base-Backbone interact. energy: -1.019
local terms energy: -119.077521
where:
bonds (distance) C4'-P energy: -32.336
bonds (distance) P-C4' energy: -39.458
flat angles C4'-P-C4' energy: -38.009
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: 7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -741.558545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.558545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.558545 (E_RNA)
where:
Base-Base interactions energy: -508.555
where: short stacking energy: -220.257
Base-Backbone interact. energy: 0.592
local terms energy: -233.595123
where:
bonds (distance) C4'-P energy: -41.834
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -49.263
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -67.374
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: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -720.356048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.356048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.356048 (E_RNA)
where:
Base-Base interactions energy: -480.237
where: short stacking energy: -222.137
Base-Backbone interact. energy: -0.303
local terms energy: -239.816022
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -72.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -685.111600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.111600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.111600 (E_RNA)
where:
Base-Base interactions energy: -464.365
where: short stacking energy: -217.029
Base-Backbone interact. energy: 1.145
local terms energy: -221.891864
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -49.097
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -73.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -608.874149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.874149 (E_RNA)
where:
Base-Base interactions energy: -403.805
where: short stacking energy: -182.590
Base-Backbone interact. energy: -1.395
local terms energy: -203.674165
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -41.229
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -55.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -567.777969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.777969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.777969 (E_RNA)
where:
Base-Base interactions energy: -367.365
where: short stacking energy: -175.161
Base-Backbone interact. energy: -0.186
local terms energy: -200.226430
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -56.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -477.148211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.148211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.148211 (E_RNA)
where:
Base-Base interactions energy: -300.707
where: short stacking energy: -141.268
Base-Backbone interact. energy: -1.162
local terms energy: -175.279142
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -484.854938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.854938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.854938 (E_RNA)
where:
Base-Base interactions energy: -311.199
where: short stacking energy: -146.998
Base-Backbone interact. energy: -0.906
local terms energy: -172.750300
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -342.277620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.277620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.277620 (E_RNA)
where:
Base-Base interactions energy: -196.766
where: short stacking energy: -103.725
Base-Backbone interact. energy: 0.734
local terms energy: -146.245501
where:
bonds (distance) C4'-P energy: -35.733
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -18.380
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: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -380.149568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.149568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.149568 (E_RNA)
where:
Base-Base interactions energy: -244.177
where: short stacking energy: -115.717
Base-Backbone interact. energy: 0.782
local terms energy: -136.754293
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -21.790
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: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -181.981677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.981677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.981677 (E_RNA)
where:
Base-Base interactions energy: -65.995
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.646
local terms energy: -115.340834
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -745.322000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.322000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.322000 (E_RNA)
where:
Base-Base interactions energy: -498.277
where: short stacking energy: -214.535
Base-Backbone interact. energy: -0.019
local terms energy: -247.025345
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -47.467
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -72.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -702.924435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.924435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.924435 (E_RNA)
where:
Base-Base interactions energy: -476.087
where: short stacking energy: -213.883
Base-Backbone interact. energy: 0.316
local terms energy: -227.153491
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -50.603
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -62.753
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: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -696.031424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.031424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.031424 (E_RNA)
where:
Base-Base interactions energy: -464.285
where: short stacking energy: -204.707
Base-Backbone interact. energy: -1.621
local terms energy: -230.124940
where:
bonds (distance) C4'-P energy: -36.993
bonds (distance) P-C4' energy: -44.994
flat angles C4'-P-C4' energy: -49.494
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -63.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -622.513685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.513685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.513685 (E_RNA)
where:
Base-Base interactions energy: -413.609
where: short stacking energy: -188.936
Base-Backbone interact. energy: -0.757
local terms energy: -208.147427
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -40.994
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -559.678196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.678196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.678196 (E_RNA)
where:
Base-Base interactions energy: -366.364
where: short stacking energy: -161.954
Base-Backbone interact. energy: 0.540
local terms energy: -193.854443
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -38.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -476.395288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.395288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.395288 (E_RNA)
where:
Base-Base interactions energy: -310.724
where: short stacking energy: -134.747
Base-Backbone interact. energy: -2.562
local terms energy: -163.109119
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -440.019245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.019245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.019245 (E_RNA)
where:
Base-Base interactions energy: -256.763
where: short stacking energy: -120.694
Base-Backbone interact. energy: -1.437
local terms energy: -181.819479
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -45.846
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -33.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -372.304272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.304272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.304272 (E_RNA)
where:
Base-Base interactions energy: -213.897
where: short stacking energy: -86.366
Base-Backbone interact. energy: -0.666
local terms energy: -157.742054
where:
bonds (distance) C4'-P energy: -38.736
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -371.111972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.111972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.111972 (E_RNA)
where:
Base-Base interactions energy: -215.867
where: short stacking energy: -120.169
Base-Backbone interact. energy: -0.411
local terms energy: -154.834105
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -20.678
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -204.889688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.889688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.889688 (E_RNA)
where:
Base-Base interactions energy: -68.783
where: short stacking energy: -55.474
Base-Backbone interact. energy: 2.396
local terms energy: -138.502713
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -720.372126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.372126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.372126 (E_RNA)
where:
Base-Base interactions energy: -475.922
where: short stacking energy: -228.036
Base-Backbone interact. energy: -1.386
local terms energy: -243.064008
where:
bonds (distance) C4'-P energy: -43.981
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -47.758
flat angles P-C4'-P energy: -29.666
tors. eta vs tors. theta energy: -76.058
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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -731.240965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.240965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.240965 (E_RNA)
where:
Base-Base interactions energy: -497.644
where: short stacking energy: -220.160
Base-Backbone interact. energy: -0.100
local terms energy: -233.497199
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -64.688
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: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -689.846290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.846290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.846290 (E_RNA)
where:
Base-Base interactions energy: -454.276
where: short stacking energy: -206.417
Base-Backbone interact. energy: -1.383
local terms energy: -234.187820
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -47.706
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -66.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -615.746990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.746990 (E_RNA)
where:
Base-Base interactions energy: -402.406
where: short stacking energy: -199.759
Base-Backbone interact. energy: -0.226
local terms energy: -213.115090
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -54.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -588.301728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.301728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.301728 (E_RNA)
where:
Base-Base interactions energy: -388.586
where: short stacking energy: -187.815
Base-Backbone interact. energy: -1.519
local terms energy: -198.197022
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -43.218
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -51.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -469.298793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.298793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.298793 (E_RNA)
where:
Base-Base interactions energy: -304.188
where: short stacking energy: -144.344
Base-Backbone interact. energy: 1.273
local terms energy: -166.383111
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -419.092980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.092980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.092980 (E_RNA)
where:
Base-Base interactions energy: -253.271
where: short stacking energy: -119.148
Base-Backbone interact. energy: 4.768
local terms energy: -170.590508
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -42.065
flat angles C4'-P-C4' energy: -33.922
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -381.824431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.824431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.824431 (E_RNA)
where:
Base-Base interactions energy: -225.930
where: short stacking energy: -104.116
Base-Backbone interact. energy: 3.776
local terms energy: -159.670888
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -371.702825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.702825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.702825 (E_RNA)
where:
Base-Base interactions energy: -217.875
where: short stacking energy: -102.408
Base-Backbone interact. energy: -1.154
local terms energy: -152.673993
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -183.075469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.075469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.075469 (E_RNA)
where:
Base-Base interactions energy: -71.570
where: short stacking energy: -50.238
Base-Backbone interact. energy: 0.360
local terms energy: -111.865299
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: 12.744
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: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -708.053352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.053352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.053352 (E_RNA)
where:
Base-Base interactions energy: -481.589
where: short stacking energy: -226.815
Base-Backbone interact. energy: -0.060
local terms energy: -226.404629
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -37.753
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -74.815
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: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -701.379824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.379824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.379824 (E_RNA)
where:
Base-Base interactions energy: -475.441
where: short stacking energy: -198.395
Base-Backbone interact. energy: 0.121
local terms energy: -226.059209
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -49.425
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -718.080432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.080432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.080432 (E_RNA)
where:
Base-Base interactions energy: -486.431
where: short stacking energy: -214.818
Base-Backbone interact. energy: 0.635
local terms energy: -232.283716
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -47.856
flat angles C4'-P-C4' energy: -44.889
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: -67.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -609.762375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.762375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.762375 (E_RNA)
where:
Base-Base interactions energy: -401.770
where: short stacking energy: -167.037
Base-Backbone interact. energy: -0.725
local terms energy: -207.267875
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -57.410
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: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -580.864004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.864004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.864004 (E_RNA)
where:
Base-Base interactions energy: -385.563
where: short stacking energy: -175.255
Base-Backbone interact. energy: -0.065
local terms energy: -195.236797
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -44.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -473.841804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.841804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.841804 (E_RNA)
where:
Base-Base interactions energy: -299.894
where: short stacking energy: -125.199
Base-Backbone interact. energy: -1.329
local terms energy: -172.618677
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -453.908107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.908107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.908107 (E_RNA)
where:
Base-Base interactions energy: -292.569
where: short stacking energy: -147.077
Base-Backbone interact. energy: 0.202
local terms energy: -161.540321
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -396.739028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.739028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.739028 (E_RNA)
where:
Base-Base interactions energy: -246.770
where: short stacking energy: -105.596
Base-Backbone interact. energy: -1.201
local terms energy: -148.768203
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -37.506
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -340.944611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.944611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.944611 (E_RNA)
where:
Base-Base interactions energy: -190.944
where: short stacking energy: -91.604
Base-Backbone interact. energy: -0.449
local terms energy: -149.551877
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -196.578099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.578099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.578099 (E_RNA)
where:
Base-Base interactions energy: -69.831
where: short stacking energy: -67.048
Base-Backbone interact. energy: 0.420
local terms energy: -127.166771
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -724.818615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.818615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.818615 (E_RNA)
where:
Base-Base interactions energy: -503.754
where: short stacking energy: -223.113
Base-Backbone interact. energy: -0.215
local terms energy: -220.849286
where:
bonds (distance) C4'-P energy: -37.491
bonds (distance) P-C4' energy: -38.292
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -69.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -713.207375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.207375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.207375 (E_RNA)
where:
Base-Base interactions energy: -475.715
where: short stacking energy: -212.530
Base-Backbone interact. energy: 0.025
local terms energy: -237.517649
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -47.297
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: -73.943
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: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -719.701732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.701732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.701732 (E_RNA)
where:
Base-Base interactions energy: -481.370
where: short stacking energy: -220.049
Base-Backbone interact. energy: -1.159
local terms energy: -237.172522
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -68.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -605.395520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.395520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.395520 (E_RNA)
where:
Base-Base interactions energy: -394.332
where: short stacking energy: -192.272
Base-Backbone interact. energy: -0.163
local terms energy: -210.900122
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -39.777
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -60.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -576.018655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.018655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.018655 (E_RNA)
where:
Base-Base interactions energy: -391.957
where: short stacking energy: -188.037
Base-Backbone interact. energy: -1.151
local terms energy: -182.910210
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -50.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -466.222577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.222577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.222577 (E_RNA)
where:
Base-Base interactions energy: -285.498
where: short stacking energy: -132.713
Base-Backbone interact. energy: -0.742
local terms energy: -179.982600
where:
bonds (distance) C4'-P energy: -39.304
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -33.690
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: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -407.561621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.561621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.561621 (E_RNA)
where:
Base-Base interactions energy: -262.590
where: short stacking energy: -117.482
Base-Backbone interact. energy: -1.541
local terms energy: -143.431070
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -430.167499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.167499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.167499 (E_RNA)
where:
Base-Base interactions energy: -267.252
where: short stacking energy: -126.115
Base-Backbone interact. energy: -2.022
local terms energy: -160.893984
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -342.168753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.168753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.168753 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -95.610
Base-Backbone interact. energy: -0.166
local terms energy: -150.574858
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -21.328
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -175.194166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.194166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.194166 (E_RNA)
where:
Base-Base interactions energy: -71.437
where: short stacking energy: -52.977
Base-Backbone interact. energy: 7.638
local terms energy: -111.394902
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: 12.478
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: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -725.993535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.993535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.993535 (E_RNA)
where:
Base-Base interactions energy: -476.216
where: short stacking energy: -220.806
Base-Backbone interact. energy: -0.691
local terms energy: -249.086469
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -43.200
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -38.942
tors. eta vs tors. theta energy: -72.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -711.860935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.860935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.860935 (E_RNA)
where:
Base-Base interactions energy: -481.790
where: short stacking energy: -224.117
Base-Backbone interact. energy: -0.010
local terms energy: -230.060923
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -41.289
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: -72.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -717.736689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.736689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.736689 (E_RNA)
where:
Base-Base interactions energy: -484.685
where: short stacking energy: -206.471
Base-Backbone interact. energy: -2.122
local terms energy: -230.930066
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -67.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -614.991833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.991833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.991833 (E_RNA)
where:
Base-Base interactions energy: -404.874
where: short stacking energy: -175.318
Base-Backbone interact. energy: -0.580
local terms energy: -209.538798
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -43.100
flat angles P-C4'-P energy: -30.300
tors. eta vs tors. theta energy: -58.941
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: 159
Temperature: 1.100000
Total energy: -580.836753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.836753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.836753 (E_RNA)
where:
Base-Base interactions energy: -386.770
where: short stacking energy: -169.938
Base-Backbone interact. energy: -0.613
local terms energy: -193.453378
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -53.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -473.245917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.245917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.245917 (E_RNA)
where:
Base-Base interactions energy: -299.735
where: short stacking energy: -146.227
Base-Backbone interact. energy: 3.291
local terms energy: -176.801146
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -37.401
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -30.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -427.248295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.248295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.248295 (E_RNA)
where:
Base-Base interactions energy: -263.937
where: short stacking energy: -137.264
Base-Backbone interact. energy: 4.017
local terms energy: -167.328429
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -42.663
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -409.433987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.433987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.433987 (E_RNA)
where:
Base-Base interactions energy: -246.366
where: short stacking energy: -125.898
Base-Backbone interact. energy: -1.844
local terms energy: -161.223765
where:
bonds (distance) C4'-P energy: -41.623
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -30.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -347.805252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.805252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.805252 (E_RNA)
where:
Base-Base interactions energy: -191.660
where: short stacking energy: -99.568
Base-Backbone interact. energy: 2.704
local terms energy: -158.849220
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -190.246719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.246719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.246719 (E_RNA)
where:
Base-Base interactions energy: -73.105
where: short stacking energy: -72.065
Base-Backbone interact. energy: 0.371
local terms energy: -117.513189
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -5.534
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: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -731.596527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.596527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.596527 (E_RNA)
where:
Base-Base interactions energy: -492.518
where: short stacking energy: -226.968
Base-Backbone interact. energy: -0.110
local terms energy: -238.968524
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -50.036
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -75.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -706.749012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.749012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.749012 (E_RNA)
where:
Base-Base interactions energy: -478.802
where: short stacking energy: -219.011
Base-Backbone interact. energy: 0.256
local terms energy: -228.203349
where:
bonds (distance) C4'-P energy: -40.174
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -70.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -713.557551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.557551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.557551 (E_RNA)
where:
Base-Base interactions energy: -483.352
where: short stacking energy: -215.756
Base-Backbone interact. energy: -0.089
local terms energy: -230.116495
where:
bonds (distance) C4'-P energy: -39.185
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -48.871
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -73.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -607.714250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.714250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.714250 (E_RNA)
where:
Base-Base interactions energy: -403.064
where: short stacking energy: -176.663
Base-Backbone interact. energy: -0.704
local terms energy: -203.946286
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -44.061
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -47.452
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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -601.837214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.837214 (E_RNA)
where:
Base-Base interactions energy: -400.226
where: short stacking energy: -183.320
Base-Backbone interact. energy: -0.798
local terms energy: -200.813202
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -42.355
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -52.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -463.906923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.906923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.906923 (E_RNA)
where:
Base-Base interactions energy: -292.851
where: short stacking energy: -135.275
Base-Backbone interact. energy: -1.540
local terms energy: -169.516206
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -428.904095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.904095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.904095 (E_RNA)
where:
Base-Base interactions energy: -270.425
where: short stacking energy: -143.365
Base-Backbone interact. energy: -0.417
local terms energy: -158.061944
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -32.638
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -405.842078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.842078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.842078 (E_RNA)
where:
Base-Base interactions energy: -239.986
where: short stacking energy: -103.653
Base-Backbone interact. energy: -0.974
local terms energy: -164.881970
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -36.408
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -322.369283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.369283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.369283 (E_RNA)
where:
Base-Base interactions energy: -184.518
where: short stacking energy: -92.029
Base-Backbone interact. energy: -0.337
local terms energy: -137.514138
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -236.407328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.407328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.407328 (E_RNA)
where:
Base-Base interactions energy: -97.977
where: short stacking energy: -64.364
Base-Backbone interact. energy: 1.011
local terms energy: -139.441236
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -41.107
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -728.163220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.163220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.163220 (E_RNA)
where:
Base-Base interactions energy: -480.936
where: short stacking energy: -228.431
Base-Backbone interact. energy: 0.485
local terms energy: -247.712550
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -76.451
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: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -723.633784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.633784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.633784 (E_RNA)
where:
Base-Base interactions energy: -497.523
where: short stacking energy: -215.403
Base-Backbone interact. energy: -0.143
local terms energy: -225.967970
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -41.762
flat angles C4'-P-C4' energy: -48.606
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -65.409
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: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -685.277484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.277484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.277484 (E_RNA)
where:
Base-Base interactions energy: -461.496
where: short stacking energy: -202.540
Base-Backbone interact. energy: -0.128
local terms energy: -223.653896
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -42.988
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -67.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -601.156378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.156378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.156378 (E_RNA)
where:
Base-Base interactions energy: -401.979
where: short stacking energy: -185.133
Base-Backbone interact. energy: -1.025
local terms energy: -198.151844
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -46.368
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -572.568237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.568237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.568237 (E_RNA)
where:
Base-Base interactions energy: -372.208
where: short stacking energy: -174.826
Base-Backbone interact. energy: -0.481
local terms energy: -199.878850
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -55.601
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: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -498.490151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.490151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.490151 (E_RNA)
where:
Base-Base interactions energy: -304.236
where: short stacking energy: -142.013
Base-Backbone interact. energy: -1.569
local terms energy: -192.685283
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -34.443
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: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -442.091036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.091036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.091036 (E_RNA)
where:
Base-Base interactions energy: -270.695
where: short stacking energy: -130.797
Base-Backbone interact. energy: 0.366
local terms energy: -171.762080
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -42.107
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -26.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -362.152806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.152806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152806 (E_RNA)
where:
Base-Base interactions energy: -230.058
where: short stacking energy: -118.303
Base-Backbone interact. energy: -0.085
local terms energy: -132.009890
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -34.554
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -339.503233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.503233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.503233 (E_RNA)
where:
Base-Base interactions energy: -186.657
where: short stacking energy: -96.836
Base-Backbone interact. energy: -1.031
local terms energy: -151.815724
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -23.184
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: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -211.520959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.520959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.520959 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -66.577
Base-Backbone interact. energy: 0.568
local terms energy: -114.885264
where:
bonds (distance) C4'-P energy: -38.411
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -37.401
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -742.053829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.053829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.053829 (E_RNA)
where:
Base-Base interactions energy: -510.879
where: short stacking energy: -225.338
Base-Backbone interact. energy: -0.487
local terms energy: -230.687656
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -73.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -716.217360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.217360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.217360 (E_RNA)
where:
Base-Base interactions energy: -487.915
where: short stacking energy: -215.969
Base-Backbone interact. energy: 1.597
local terms energy: -229.900050
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -34.516
tors. eta vs tors. theta energy: -70.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -687.745885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.745885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.745885 (E_RNA)
where:
Base-Base interactions energy: -455.382
where: short stacking energy: -210.532
Base-Backbone interact. energy: -0.282
local terms energy: -232.081757
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -35.012
tors. eta vs tors. theta energy: -72.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -607.002167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.002167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.002167 (E_RNA)
where:
Base-Base interactions energy: -392.829
where: short stacking energy: -184.624
Base-Backbone interact. energy: -0.864
local terms energy: -213.309367
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -45.741
flat angles C4'-P-C4' energy: -42.232
flat angles P-C4'-P energy: -31.208
tors. eta vs tors. theta energy: -55.748
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: 162
Temperature: 1.100000
Total energy: -597.962702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.962702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.962702 (E_RNA)
where:
Base-Base interactions energy: -398.045
where: short stacking energy: -186.645
Base-Backbone interact. energy: 3.557
local terms energy: -203.475139
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -55.126
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: 162
Temperature: 1.150000
Total energy: -480.674825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.674825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.674825 (E_RNA)
where:
Base-Base interactions energy: -301.076
where: short stacking energy: -141.470
Base-Backbone interact. energy: -1.037
local terms energy: -178.562017
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -42.388
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -33.494
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: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -389.814673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.814673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.814673 (E_RNA)
where:
Base-Base interactions energy: -226.079
where: short stacking energy: -108.688
Base-Backbone interact. energy: 0.205
local terms energy: -163.940968
where:
bonds (distance) C4'-P energy: -39.239
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -336.004859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.004859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.004859 (E_RNA)
where:
Base-Base interactions energy: -184.063
where: short stacking energy: -90.216
Base-Backbone interact. energy: 1.879
local terms energy: -153.821300
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -210.329658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.329658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.329658 (E_RNA)
where:
Base-Base interactions energy: -91.129
where: short stacking energy: -63.462
Base-Backbone interact. energy: 1.722
local terms energy: -120.922332
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -323.586378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.586378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.586378 (E_RNA)
where:
Base-Base interactions energy: -187.323
where: short stacking energy: -96.654
Base-Backbone interact. energy: -0.346
local terms energy: -135.917425
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -739.461591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.461591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.461591 (E_RNA)
where:
Base-Base interactions energy: -489.696
where: short stacking energy: -216.841
Base-Backbone interact. energy: -0.203
local terms energy: -249.563031
where:
bonds (distance) C4'-P energy: -47.842
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -71.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -707.591148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.591148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.591148 (E_RNA)
where:
Base-Base interactions energy: -471.587
where: short stacking energy: -211.501
Base-Backbone interact. energy: -1.174
local terms energy: -234.830258
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -48.431
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -67.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -689.482262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.482262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.482262 (E_RNA)
where:
Base-Base interactions energy: -476.368
where: short stacking energy: -207.810
Base-Backbone interact. energy: 3.726
local terms energy: -216.840452
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -47.302
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -64.752
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -612.765847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.765847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.765847 (E_RNA)
where:
Base-Base interactions energy: -405.723
where: short stacking energy: -186.984
Base-Backbone interact. energy: -0.408
local terms energy: -206.634570
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -43.403
flat angles C4'-P-C4' energy: -45.012
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -56.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -581.816758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.816758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.816758 (E_RNA)
where:
Base-Base interactions energy: -385.289
where: short stacking energy: -173.402
Base-Backbone interact. energy: -2.327
local terms energy: -194.201675
where:
bonds (distance) C4'-P energy: -38.687
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -52.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -497.225470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.225470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.225470 (E_RNA)
where:
Base-Base interactions energy: -322.404
where: short stacking energy: -140.387
Base-Backbone interact. energy: -1.034
local terms energy: -173.787424
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -32.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -422.215794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.215794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.215794 (E_RNA)
where:
Base-Base interactions energy: -266.726
where: short stacking energy: -134.400
Base-Backbone interact. energy: 1.733
local terms energy: -157.222844
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -34.688
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -220.519164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.519164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.519164 (E_RNA)
where:
Base-Base interactions energy: -82.126
where: short stacking energy: -56.602
Base-Backbone interact. energy: 0.029
local terms energy: -138.422782
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -35.822
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -310.147323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.147323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.147323 (E_RNA)
where:
Base-Base interactions energy: -178.786
where: short stacking energy: -85.549
Base-Backbone interact. energy: -0.700
local terms energy: -130.660933
where:
bonds (distance) C4'-P energy: -39.161
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -283.907357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.907357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.907357 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -90.549
Base-Backbone interact. energy: -0.640
local terms energy: -132.953701
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -9.309
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: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -739.042424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.042424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.042424 (E_RNA)
where:
Base-Base interactions energy: -499.486
where: short stacking energy: -210.917
Base-Backbone interact. energy: -2.453
local terms energy: -237.103488
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -49.861
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: -66.064
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: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -687.230025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.230025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.230025 (E_RNA)
where:
Base-Base interactions energy: -469.022
where: short stacking energy: -209.912
Base-Backbone interact. energy: -0.330
local terms energy: -217.878505
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -38.140
flat angles C4'-P-C4' energy: -41.129
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -67.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -683.680093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.680093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.680093 (E_RNA)
where:
Base-Base interactions energy: -466.953
where: short stacking energy: -206.131
Base-Backbone interact. energy: -0.106
local terms energy: -216.620439
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -48.768
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -65.265
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: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -603.323490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.323490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.323490 (E_RNA)
where:
Base-Base interactions energy: -396.306
where: short stacking energy: -188.015
Base-Backbone interact. energy: -0.465
local terms energy: -206.553054
where:
bonds (distance) C4'-P energy: -41.117
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -50.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -578.049168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.049168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.049168 (E_RNA)
where:
Base-Base interactions energy: -360.784
where: short stacking energy: -175.063
Base-Backbone interact. energy: -0.740
local terms energy: -216.524426
where:
bonds (distance) C4'-P energy: -38.349
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -53.713
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: 164
Temperature: 1.150000
Total energy: -478.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.698460 (E_RNA)
where:
Base-Base interactions energy: -308.464
where: short stacking energy: -136.534
Base-Backbone interact. energy: -2.965
local terms energy: -167.268756
where:
bonds (distance) C4'-P energy: -40.711
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -36.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -436.542779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.542779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.542779 (E_RNA)
where:
Base-Base interactions energy: -256.535
where: short stacking energy: -131.111
Base-Backbone interact. energy: -0.384
local terms energy: -179.623549
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -32.140
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: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -218.170126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.170126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.170126 (E_RNA)
where:
Base-Base interactions energy: -85.540
where: short stacking energy: -77.752
Base-Backbone interact. energy: 0.160
local terms energy: -132.790333
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -8.160
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: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -312.493030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.493030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.493030 (E_RNA)
where:
Base-Base interactions energy: -168.461
where: short stacking energy: -90.722
Base-Backbone interact. energy: 0.696
local terms energy: -144.727366
where:
bonds (distance) C4'-P energy: -38.483
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -13.548
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: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -312.036286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.036286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.036286 (E_RNA)
where:
Base-Base interactions energy: -183.750
where: short stacking energy: -86.507
Base-Backbone interact. energy: -0.546
local terms energy: -127.740928
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -746.982538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.982538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.982538 (E_RNA)
where:
Base-Base interactions energy: -513.688
where: short stacking energy: -217.334
Base-Backbone interact. energy: -0.516
local terms energy: -232.777811
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -37.428
tors. eta vs tors. theta energy: -65.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -703.226227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.226227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.226227 (E_RNA)
where:
Base-Base interactions energy: -463.740
where: short stacking energy: -208.333
Base-Backbone interact. energy: -0.108
local terms energy: -239.378818
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -48.061
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -72.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -701.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.130617 (E_RNA)
where:
Base-Base interactions energy: -477.253
where: short stacking energy: -219.168
Base-Backbone interact. energy: -0.107
local terms energy: -223.770054
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -45.232
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -69.455
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: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -589.045015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.045015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.045015 (E_RNA)
where:
Base-Base interactions energy: -384.000
where: short stacking energy: -191.089
Base-Backbone interact. energy: -0.541
local terms energy: -204.503797
where:
bonds (distance) C4'-P energy: -37.304
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -50.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -586.353078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.353078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.353078 (E_RNA)
where:
Base-Base interactions energy: -392.859
where: short stacking energy: -169.875
Base-Backbone interact. energy: 0.097
local terms energy: -193.591299
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -41.427
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: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -458.454739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.454739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.454739 (E_RNA)
where:
Base-Base interactions energy: -295.132
where: short stacking energy: -135.028
Base-Backbone interact. energy: 0.324
local terms energy: -163.646323
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -402.685679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.685679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.685679 (E_RNA)
where:
Base-Base interactions energy: -246.675
where: short stacking energy: -124.052
Base-Backbone interact. energy: 1.647
local terms energy: -157.657896
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -46.170
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -296.259708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.259708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.259708 (E_RNA)
where:
Base-Base interactions energy: -157.533
where: short stacking energy: -92.858
Base-Backbone interact. energy: -1.567
local terms energy: -137.160563
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -216.630129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630129 (E_RNA)
where:
Base-Base interactions energy: -90.680
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.702
local terms energy: -125.248590
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -321.864042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.864042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.864042 (E_RNA)
where:
Base-Base interactions energy: -188.272
where: short stacking energy: -95.403
Base-Backbone interact. energy: 0.281
local terms energy: -133.873107
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -37.872
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -713.097987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.097987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.097987 (E_RNA)
where:
Base-Base interactions energy: -469.565
where: short stacking energy: -216.807
Base-Backbone interact. energy: 0.453
local terms energy: -243.985680
where:
bonds (distance) C4'-P energy: -38.919
bonds (distance) P-C4' energy: -41.532
flat angles C4'-P-C4' energy: -54.291
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -74.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -734.159807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.159807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.159807 (E_RNA)
where:
Base-Base interactions energy: -508.982
where: short stacking energy: -213.143
Base-Backbone interact. energy: -1.748
local terms energy: -223.429870
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -68.274
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: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -701.476701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.476701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.476701 (E_RNA)
where:
Base-Base interactions energy: -464.617
where: short stacking energy: -216.433
Base-Backbone interact. energy: -0.399
local terms energy: -236.460349
where:
bonds (distance) C4'-P energy: -47.406
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -33.928
tors. eta vs tors. theta energy: -67.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -586.014834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.014834 (E_RNA)
where:
Base-Base interactions energy: -390.047
where: short stacking energy: -182.566
Base-Backbone interact. energy: -0.288
local terms energy: -195.679855
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -46.316
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -579.833928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.833928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.833928 (E_RNA)
where:
Base-Base interactions energy: -385.527
where: short stacking energy: -164.452
Base-Backbone interact. energy: -0.619
local terms energy: -193.687642
where:
bonds (distance) C4'-P energy: -36.407
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -46.492
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: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -465.712799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.712799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.712799 (E_RNA)
where:
Base-Base interactions energy: -297.033
where: short stacking energy: -127.930
Base-Backbone interact. energy: 0.146
local terms energy: -168.825448
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -413.223196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.223196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.223196 (E_RNA)
where:
Base-Base interactions energy: -247.169
where: short stacking energy: -115.647
Base-Backbone interact. energy: 0.682
local terms energy: -166.736372
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -23.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -328.562839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.562839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.562839 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -89.810
Base-Backbone interact. energy: -1.210
local terms energy: -155.267216
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -41.638
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -344.547361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.547361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.547361 (E_RNA)
where:
Base-Base interactions energy: -202.217
where: short stacking energy: -105.987
Base-Backbone interact. energy: -0.868
local terms energy: -141.462715
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -43.070
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -196.754065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.754065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.754065 (E_RNA)
where:
Base-Base interactions energy: -74.118
where: short stacking energy: -71.651
Base-Backbone interact. energy: 0.221
local terms energy: -122.857046
where:
bonds (distance) C4'-P energy: -35.753
bonds (distance) P-C4' energy: -42.877
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -726.663909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.663909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.663909 (E_RNA)
where:
Base-Base interactions energy: -481.994
where: short stacking energy: -228.271
Base-Backbone interact. energy: -1.176
local terms energy: -243.493926
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -38.517
flat angles C4'-P-C4' energy: -51.904
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -73.875
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: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -724.842305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.842305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.842305 (E_RNA)
where:
Base-Base interactions energy: -508.857
where: short stacking energy: -216.108
Base-Backbone interact. energy: -1.394
local terms energy: -214.590830
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -42.493
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -69.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -695.327262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.327262 (E_RNA)
where:
Base-Base interactions energy: -469.870
where: short stacking energy: -199.937
Base-Backbone interact. energy: -1.121
local terms energy: -224.335893
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -63.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -597.290614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.290614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.290614 (E_RNA)
where:
Base-Base interactions energy: -411.065
where: short stacking energy: -188.318
Base-Backbone interact. energy: -0.215
local terms energy: -186.010300
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -46.370
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -584.763503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.763503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.763503 (E_RNA)
where:
Base-Base interactions energy: -389.773
where: short stacking energy: -177.133
Base-Backbone interact. energy: -1.045
local terms energy: -193.945166
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -53.899
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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -461.142827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.142827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.142827 (E_RNA)
where:
Base-Base interactions energy: -277.628
where: short stacking energy: -148.580
Base-Backbone interact. energy: -0.472
local terms energy: -183.043328
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -42.823
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -40.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -429.003403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.003403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.003403 (E_RNA)
where:
Base-Base interactions energy: -259.106
where: short stacking energy: -112.245
Base-Backbone interact. energy: -1.141
local terms energy: -168.757026
where:
bonds (distance) C4'-P energy: -38.885
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -27.346
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: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -345.675105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.675105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.675105 (E_RNA)
where:
Base-Base interactions energy: -202.872
where: short stacking energy: -95.652
Base-Backbone interact. energy: -0.782
local terms energy: -142.021934
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -40.903
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -339.134913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.134913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.134913 (E_RNA)
where:
Base-Base interactions energy: -202.320
where: short stacking energy: -101.830
Base-Backbone interact. energy: -1.251
local terms energy: -135.563110
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -212.281685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281685 (E_RNA)
where:
Base-Base interactions energy: -89.660
where: short stacking energy: -65.973
Base-Backbone interact. energy: 0.098
local terms energy: -122.719059
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -42.873
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -733.545378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.545378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.545378 (E_RNA)
where:
Base-Base interactions energy: -502.564
where: short stacking energy: -222.076
Base-Backbone interact. energy: -0.670
local terms energy: -230.311421
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -69.129
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: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -711.616568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.616568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.616568 (E_RNA)
where:
Base-Base interactions energy: -478.499
where: short stacking energy: -227.631
Base-Backbone interact. energy: 0.112
local terms energy: -233.229470
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -42.878
flat angles C4'-P-C4' energy: -47.858
flat angles P-C4'-P energy: -28.315
tors. eta vs tors. theta energy: -76.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -676.092650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.092650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.092650 (E_RNA)
where:
Base-Base interactions energy: -453.015
where: short stacking energy: -192.944
Base-Backbone interact. energy: -0.073
local terms energy: -223.005313
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -49.115
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: -64.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -587.071342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.071342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.071342 (E_RNA)
where:
Base-Base interactions energy: -391.149
where: short stacking energy: -178.677
Base-Backbone interact. energy: -0.091
local terms energy: -195.831198
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -47.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -554.124565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.124565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.124565 (E_RNA)
where:
Base-Base interactions energy: -360.107
where: short stacking energy: -170.111
Base-Backbone interact. energy: -0.291
local terms energy: -193.727293
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -42.953
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -48.360
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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -454.558773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.558773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.558773 (E_RNA)
where:
Base-Base interactions energy: -284.177
where: short stacking energy: -154.556
Base-Backbone interact. energy: -0.522
local terms energy: -169.859740
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -40.231
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -32.274
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -466.534494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.534494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.534494 (E_RNA)
where:
Base-Base interactions energy: -297.340
where: short stacking energy: -137.100
Base-Backbone interact. energy: -1.658
local terms energy: -167.536386
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -43.274
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -352.613468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.613468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.613468 (E_RNA)
where:
Base-Base interactions energy: -202.471
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.306
local terms energy: -149.836971
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -346.829655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.829655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.829655 (E_RNA)
where:
Base-Base interactions energy: -184.960
where: short stacking energy: -92.586
Base-Backbone interact. energy: -0.263
local terms energy: -161.606814
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -41.359
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -176.962661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.962661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.962661 (E_RNA)
where:
Base-Base interactions energy: -63.527
where: short stacking energy: -58.816
Base-Backbone interact. energy: -1.324
local terms energy: -112.111843
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: 6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -725.976595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.976595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.976595 (E_RNA)
where:
Base-Base interactions energy: -494.953
where: short stacking energy: -209.987
Base-Backbone interact. energy: -0.337
local terms energy: -230.686697
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -70.863
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: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -707.746200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.746200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.746200 (E_RNA)
where:
Base-Base interactions energy: -483.054
where: short stacking energy: -219.816
Base-Backbone interact. energy: -0.281
local terms energy: -224.411246
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -44.181
flat angles C4'-P-C4' energy: -48.844
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -70.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -679.670919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.670919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.670919 (E_RNA)
where:
Base-Base interactions energy: -462.549
where: short stacking energy: -203.152
Base-Backbone interact. energy: -0.087
local terms energy: -217.034275
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -38.080
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -60.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -558.952607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.952607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.952607 (E_RNA)
where:
Base-Base interactions energy: -354.998
where: short stacking energy: -165.065
Base-Backbone interact. energy: 0.329
local terms energy: -204.283338
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -45.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -591.611671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.611671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.611671 (E_RNA)
where:
Base-Base interactions energy: -391.082
where: short stacking energy: -160.078
Base-Backbone interact. energy: 0.857
local terms energy: -201.387091
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -39.804
flat angles C4'-P-C4' energy: -43.805
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -53.030
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: 169
Temperature: 1.150000
Total energy: -480.128623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.128623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.128623 (E_RNA)
where:
Base-Base interactions energy: -288.304
where: short stacking energy: -143.683
Base-Backbone interact. energy: -1.360
local terms energy: -190.465066
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -43.670
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -37.379
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -428.002808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.002808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.002808 (E_RNA)
where:
Base-Base interactions energy: -262.289
where: short stacking energy: -132.366
Base-Backbone interact. energy: -0.218
local terms energy: -165.495380
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -25.613
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: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -360.881808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.881808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.881808 (E_RNA)
where:
Base-Base interactions energy: -207.079
where: short stacking energy: -113.030
Base-Backbone interact. energy: -1.649
local terms energy: -152.153655
where:
bonds (distance) C4'-P energy: -35.663
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -322.404992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.404992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.404992 (E_RNA)
where:
Base-Base interactions energy: -183.777
where: short stacking energy: -95.849
Base-Backbone interact. energy: 4.819
local terms energy: -143.447301
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -45.807
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -184.872256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.872256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.872256 (E_RNA)
where:
Base-Base interactions energy: -65.339
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.541
local terms energy: -118.992020
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -24.096
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: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -733.492348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.492348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.492348 (E_RNA)
where:
Base-Base interactions energy: -489.795
where: short stacking energy: -226.903
Base-Backbone interact. energy: -2.640
local terms energy: -241.057236
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -48.232
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -711.977293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.977293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.977293 (E_RNA)
where:
Base-Base interactions energy: -476.592
where: short stacking energy: -210.329
Base-Backbone interact. energy: -0.784
local terms energy: -234.602022
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -68.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -660.822943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.822943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.822943 (E_RNA)
where:
Base-Base interactions energy: -424.228
where: short stacking energy: -189.053
Base-Backbone interact. energy: -0.334
local terms energy: -236.260426
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -46.974
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -63.952
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -570.718500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.718500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.718500 (E_RNA)
where:
Base-Base interactions energy: -377.817
where: short stacking energy: -177.666
Base-Backbone interact. energy: -0.446
local terms energy: -192.454712
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -41.638
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -50.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -594.095913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.095913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.095913 (E_RNA)
where:
Base-Base interactions energy: -377.357
where: short stacking energy: -175.061
Base-Backbone interact. energy: -0.717
local terms energy: -216.022474
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -54.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -481.989426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.989426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.989426 (E_RNA)
where:
Base-Base interactions energy: -322.291
where: short stacking energy: -147.593
Base-Backbone interact. energy: 0.008
local terms energy: -159.706560
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -38.345
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: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -440.004199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.004199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.004199 (E_RNA)
where:
Base-Base interactions energy: -274.460
where: short stacking energy: -115.554
Base-Backbone interact. energy: -0.865
local terms energy: -164.679002
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -18.125
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: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -356.043769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.043769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.043769 (E_RNA)
where:
Base-Base interactions energy: -193.749
where: short stacking energy: -94.303
Base-Backbone interact. energy: 1.664
local terms energy: -163.958668
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -45.019
flat angles C4'-P-C4' energy: -39.321
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -355.651200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.651200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.651200 (E_RNA)
where:
Base-Base interactions energy: -220.603
where: short stacking energy: -105.133
Base-Backbone interact. energy: -0.865
local terms energy: -134.182755
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -37.738
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -196.122394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122394 (E_RNA)
where:
Base-Base interactions energy: -75.881
where: short stacking energy: -61.253
Base-Backbone interact. energy: 0.877
local terms energy: -121.118521
where:
bonds (distance) C4'-P energy: -43.810
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -731.373409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.373409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.373409 (E_RNA)
where:
Base-Base interactions energy: -500.704
where: short stacking energy: -218.981
Base-Backbone interact. energy: 0.672
local terms energy: -231.341947
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -49.207
flat angles P-C4'-P energy: -34.348
tors. eta vs tors. theta energy: -71.594
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -707.328548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.328548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.328548 (E_RNA)
where:
Base-Base interactions energy: -474.973
where: short stacking energy: -212.417
Base-Backbone interact. energy: -0.804
local terms energy: -231.552017
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -43.084
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -29.658
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: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -708.485807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.485807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.485807 (E_RNA)
where:
Base-Base interactions energy: -472.656
where: short stacking energy: -226.328
Base-Backbone interact. energy: -0.366
local terms energy: -235.463676
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -47.378
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -75.541
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: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -598.018589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.018589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.018589 (E_RNA)
where:
Base-Base interactions energy: -403.162
where: short stacking energy: -175.252
Base-Backbone interact. energy: 1.487
local terms energy: -196.343634
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -42.135
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -53.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -559.154080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.154080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.154080 (E_RNA)
where:
Base-Base interactions energy: -371.255
where: short stacking energy: -173.173
Base-Backbone interact. energy: 0.385
local terms energy: -188.284771
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -47.210
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: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -475.478556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.478556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.478556 (E_RNA)
where:
Base-Base interactions energy: -296.837
where: short stacking energy: -139.154
Base-Backbone interact. energy: 4.277
local terms energy: -182.918845
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -32.278
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: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -443.165733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.165733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.165733 (E_RNA)
where:
Base-Base interactions energy: -276.662
where: short stacking energy: -117.391
Base-Backbone interact. energy: -0.431
local terms energy: -166.072920
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -372.622313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.622313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.622313 (E_RNA)
where:
Base-Base interactions energy: -232.688
where: short stacking energy: -116.337
Base-Backbone interact. energy: -0.467
local terms energy: -139.467960
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -352.243977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.243977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.243977 (E_RNA)
where:
Base-Base interactions energy: -208.967
where: short stacking energy: -105.915
Base-Backbone interact. energy: -0.445
local terms energy: -142.832728
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -189.448225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.448225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.448225 (E_RNA)
where:
Base-Base interactions energy: -76.577
where: short stacking energy: -52.051
Base-Backbone interact. energy: -1.218
local terms energy: -111.653380
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: 5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -726.969494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.969494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.969494 (E_RNA)
where:
Base-Base interactions energy: -486.127
where: short stacking energy: -217.386
Base-Backbone interact. energy: -0.976
local terms energy: -239.865931
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -45.471
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -72.774
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: 172
Temperature: 0.950000
Total energy: -711.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.404563 (E_RNA)
where:
Base-Base interactions energy: -474.711
where: short stacking energy: -219.333
Base-Backbone interact. energy: -0.094
local terms energy: -236.599191
where:
bonds (distance) C4'-P energy: -43.319
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -46.859
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -73.407
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: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -685.837072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.837072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.837072 (E_RNA)
where:
Base-Base interactions energy: -464.464
where: short stacking energy: -215.858
Base-Backbone interact. energy: -0.017
local terms energy: -221.356422
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -64.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -578.625496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.625496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.625496 (E_RNA)
where:
Base-Base interactions energy: -395.826
where: short stacking energy: -186.932
Base-Backbone interact. energy: 0.106
local terms energy: -182.905706
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -56.694
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: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -540.670168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.670168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.670168 (E_RNA)
where:
Base-Base interactions energy: -338.941
where: short stacking energy: -151.922
Base-Backbone interact. energy: -0.459
local terms energy: -201.269897
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -43.218
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -471.401470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.401470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.401470 (E_RNA)
where:
Base-Base interactions energy: -306.275
where: short stacking energy: -144.466
Base-Backbone interact. energy: -0.300
local terms energy: -164.825838
where:
bonds (distance) C4'-P energy: -33.729
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -492.151251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.151251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.151251 (E_RNA)
where:
Base-Base interactions energy: -315.439
where: short stacking energy: -149.398
Base-Backbone interact. energy: -0.332
local terms energy: -176.380344
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -38.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -317.560892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.560892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.560892 (E_RNA)
where:
Base-Base interactions energy: -166.409
where: short stacking energy: -89.172
Base-Backbone interact. energy: -1.681
local terms energy: -149.470757
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -41.432
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -321.245014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.245014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.245014 (E_RNA)
where:
Base-Base interactions energy: -180.585
where: short stacking energy: -90.834
Base-Backbone interact. energy: 0.295
local terms energy: -140.955105
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -38.756
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -12.207
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: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -185.626035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.626035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.626035 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -52.947
Base-Backbone interact. energy: 0.236
local terms energy: -123.965259
where:
bonds (distance) C4'-P energy: -38.644
bonds (distance) P-C4' energy: -44.382
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: 3.723
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: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -734.113255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.113255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.113255 (E_RNA)
where:
Base-Base interactions energy: -495.279
where: short stacking energy: -230.857
Base-Backbone interact. energy: -0.371
local terms energy: -238.463786
where:
bonds (distance) C4'-P energy: -43.910
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -48.321
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -68.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -710.186808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.186808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.186808 (E_RNA)
where:
Base-Base interactions energy: -478.714
where: short stacking energy: -210.545
Base-Backbone interact. energy: -1.315
local terms energy: -230.158190
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -68.372
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: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -691.035043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.035043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.035043 (E_RNA)
where:
Base-Base interactions energy: -456.758
where: short stacking energy: -216.186
Base-Backbone interact. energy: -0.857
local terms energy: -233.419687
where:
bonds (distance) C4'-P energy: -40.183
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -51.423
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -74.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -590.777025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.777025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.777025 (E_RNA)
where:
Base-Base interactions energy: -387.274
where: short stacking energy: -189.995
Base-Backbone interact. energy: -0.595
local terms energy: -202.908588
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -40.323
flat angles C4'-P-C4' energy: -43.526
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -50.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -588.244855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.244855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.244855 (E_RNA)
where:
Base-Base interactions energy: -389.390
where: short stacking energy: -186.986
Base-Backbone interact. energy: -0.907
local terms energy: -197.948436
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -42.674
flat angles C4'-P-C4' energy: -41.930
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -57.785
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: 173
Temperature: 1.150000
Total energy: -481.119625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.119625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.119625 (E_RNA)
where:
Base-Base interactions energy: -312.561
where: short stacking energy: -137.722
Base-Backbone interact. energy: -0.215
local terms energy: -168.344118
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -35.871
flat angles C4'-P-C4' energy: -37.915
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -466.858164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.858164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.858164 (E_RNA)
where:
Base-Base interactions energy: -280.527
where: short stacking energy: -134.677
Base-Backbone interact. energy: -0.207
local terms energy: -186.124570
where:
bonds (distance) C4'-P energy: -43.077
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -25.284
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: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -325.005250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.005250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.005250 (E_RNA)
where:
Base-Base interactions energy: -177.129
where: short stacking energy: -88.479
Base-Backbone interact. energy: -0.935
local terms energy: -146.941079
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -17.146
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: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -317.199731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.199731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.199731 (E_RNA)
where:
Base-Base interactions energy: -183.707
where: short stacking energy: -88.585
Base-Backbone interact. energy: 0.495
local terms energy: -133.987976
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -202.944595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.944595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.944595 (E_RNA)
where:
Base-Base interactions energy: -76.647
where: short stacking energy: -47.955
Base-Backbone interact. energy: 0.679
local terms energy: -126.976471
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -719.146046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.146046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.146046 (E_RNA)
where:
Base-Base interactions energy: -491.385
where: short stacking energy: -218.799
Base-Backbone interact. energy: -0.208
local terms energy: -227.552446
where:
bonds (distance) C4'-P energy: -39.489
bonds (distance) P-C4' energy: -39.160
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -66.857
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: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -718.189862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.189862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.189862 (E_RNA)
where:
Base-Base interactions energy: -490.414
where: short stacking energy: -221.731
Base-Backbone interact. energy: -0.114
local terms energy: -227.661402
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -45.141
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -34.696
tors. eta vs tors. theta energy: -68.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -663.847164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.847164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.847164 (E_RNA)
where:
Base-Base interactions energy: -439.418
where: short stacking energy: -205.080
Base-Backbone interact. energy: -0.737
local terms energy: -223.691971
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -36.544
flat angles C4'-P-C4' energy: -48.401
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -67.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -585.716393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.716393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.716393 (E_RNA)
where:
Base-Base interactions energy: -370.634
where: short stacking energy: -169.972
Base-Backbone interact. energy: -0.209
local terms energy: -214.874029
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -43.290
flat angles C4'-P-C4' energy: -43.684
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -51.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -571.936301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.936301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.936301 (E_RNA)
where:
Base-Base interactions energy: -372.916
where: short stacking energy: -187.607
Base-Backbone interact. energy: 0.590
local terms energy: -199.610690
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -41.729
flat angles C4'-P-C4' energy: -44.663
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -48.336
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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -427.132043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.132043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.132043 (E_RNA)
where:
Base-Base interactions energy: -245.663
where: short stacking energy: -120.789
Base-Backbone interact. energy: -0.975
local terms energy: -180.494235
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -33.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -458.290683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.290683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.290683 (E_RNA)
where:
Base-Base interactions energy: -284.860
where: short stacking energy: -125.122
Base-Backbone interact. energy: 0.283
local terms energy: -173.713735
where:
bonds (distance) C4'-P energy: -35.478
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -33.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -320.224291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.224291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.224291 (E_RNA)
where:
Base-Base interactions energy: -165.432
where: short stacking energy: -101.180
Base-Backbone interact. energy: -0.484
local terms energy: -154.308440
where:
bonds (distance) C4'-P energy: -39.328
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -40.537
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -325.738241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.738241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.738241 (E_RNA)
where:
Base-Base interactions energy: -190.356
where: short stacking energy: -108.458
Base-Backbone interact. energy: -0.958
local terms energy: -134.423651
where:
bonds (distance) C4'-P energy: -35.783
bonds (distance) P-C4' energy: -40.526
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -197.859844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.859844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.859844 (E_RNA)
where:
Base-Base interactions energy: -77.821
where: short stacking energy: -37.384
Base-Backbone interact. energy: 2.696
local terms energy: -122.735293
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -715.327634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.327634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.327634 (E_RNA)
where:
Base-Base interactions energy: -496.095
where: short stacking energy: -211.612
Base-Backbone interact. energy: -1.029
local terms energy: -218.204070
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -40.396
flat angles C4'-P-C4' energy: -52.147
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -67.210
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: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -714.138669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.138669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.138669 (E_RNA)
where:
Base-Base interactions energy: -492.790
where: short stacking energy: -216.482
Base-Backbone interact. energy: -0.305
local terms energy: -221.043544
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -45.409
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -70.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -663.237583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.237583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.237583 (E_RNA)
where:
Base-Base interactions energy: -445.352
where: short stacking energy: -202.180
Base-Backbone interact. energy: -0.138
local terms energy: -217.747441
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -63.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -596.810102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.810102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.810102 (E_RNA)
where:
Base-Base interactions energy: -388.073
where: short stacking energy: -177.823
Base-Backbone interact. energy: -2.423
local terms energy: -206.313242
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -42.414
flat angles C4'-P-C4' energy: -45.158
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -52.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -545.696224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.696224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.696224 (E_RNA)
where:
Base-Base interactions energy: -358.066
where: short stacking energy: -177.436
Base-Backbone interact. energy: -1.209
local terms energy: -186.420731
where:
bonds (distance) C4'-P energy: -37.911
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -484.127807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.127807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.127807 (E_RNA)
where:
Base-Base interactions energy: -307.969
where: short stacking energy: -144.500
Base-Backbone interact. energy: -0.577
local terms energy: -175.582087
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -37.178
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -41.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -417.246140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.246140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.246140 (E_RNA)
where:
Base-Base interactions energy: -241.871
where: short stacking energy: -110.714
Base-Backbone interact. energy: 1.275
local terms energy: -176.650055
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -353.215303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.215303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.215303 (E_RNA)
where:
Base-Base interactions energy: -204.111
where: short stacking energy: -104.819
Base-Backbone interact. energy: -0.404
local terms energy: -148.700275
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -21.880
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: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -299.630470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.630470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.630470 (E_RNA)
where:
Base-Base interactions energy: -164.123
where: short stacking energy: -102.079
Base-Backbone interact. energy: -0.728
local terms energy: -134.779988
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -186.129316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.129316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.129316 (E_RNA)
where:
Base-Base interactions energy: -70.502
where: short stacking energy: -48.619
Base-Backbone interact. energy: -1.508
local terms energy: -114.118706
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -39.937
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: 3.487
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -714.735598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.735598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.735598 (E_RNA)
where:
Base-Base interactions energy: -487.937
where: short stacking energy: -209.503
Base-Backbone interact. energy: 0.916
local terms energy: -227.713808
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -62.583
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: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -729.721307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.721307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.721307 (E_RNA)
where:
Base-Base interactions energy: -497.083
where: short stacking energy: -225.455
Base-Backbone interact. energy: -1.622
local terms energy: -231.016156
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -73.722
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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -694.317602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.317602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.317602 (E_RNA)
where:
Base-Base interactions energy: -457.785
where: short stacking energy: -209.056
Base-Backbone interact. energy: -0.104
local terms energy: -236.428944
where:
bonds (distance) C4'-P energy: -41.221
bonds (distance) P-C4' energy: -51.302
flat angles C4'-P-C4' energy: -47.641
flat angles P-C4'-P energy: -32.991
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -588.356125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.356125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.356125 (E_RNA)
where:
Base-Base interactions energy: -399.793
where: short stacking energy: -185.392
Base-Backbone interact. energy: -1.570
local terms energy: -186.994030
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -54.204
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -562.469343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.469343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.469343 (E_RNA)
where:
Base-Base interactions energy: -368.489
where: short stacking energy: -178.171
Base-Backbone interact. energy: 0.293
local terms energy: -194.273928
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -37.854
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -55.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -499.743141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.743141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.743141 (E_RNA)
where:
Base-Base interactions energy: -323.301
where: short stacking energy: -142.165
Base-Backbone interact. energy: -0.756
local terms energy: -175.686982
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -38.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -414.074092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.074092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.074092 (E_RNA)
where:
Base-Base interactions energy: -255.497
where: short stacking energy: -131.865
Base-Backbone interact. energy: -0.536
local terms energy: -158.040585
where:
bonds (distance) C4'-P energy: -43.705
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -25.671
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -342.923911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.923911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.923911 (E_RNA)
where:
Base-Base interactions energy: -188.334
where: short stacking energy: -93.216
Base-Backbone interact. energy: -0.802
local terms energy: -153.787191
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -15.013
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: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -311.450571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.450571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.450571 (E_RNA)
where:
Base-Base interactions energy: -156.597
where: short stacking energy: -79.778
Base-Backbone interact. energy: -1.676
local terms energy: -153.177473
where:
bonds (distance) C4'-P energy: -39.206
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -182.651418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651418 (E_RNA)
where:
Base-Base interactions energy: -70.257
where: short stacking energy: -69.488
Base-Backbone interact. energy: 2.744
local terms energy: -115.139086
where:
bonds (distance) C4'-P energy: -36.559
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -728.869748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.869748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.869748 (E_RNA)
where:
Base-Base interactions energy: -497.541
where: short stacking energy: -220.022
Base-Backbone interact. energy: -0.353
local terms energy: -230.976288
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -49.280
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -66.596
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -734.256165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.256165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.256165 (E_RNA)
where:
Base-Base interactions energy: -504.239
where: short stacking energy: -213.281
Base-Backbone interact. energy: -0.517
local terms energy: -229.500228
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -47.185
flat angles P-C4'-P energy: -30.348
tors. eta vs tors. theta energy: -67.808
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: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -677.376610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.376610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.376610 (E_RNA)
where:
Base-Base interactions energy: -453.803
where: short stacking energy: -201.490
Base-Backbone interact. energy: -1.925
local terms energy: -221.648598
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -46.892
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: -65.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -599.934956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.934956 (E_RNA)
where:
Base-Base interactions energy: -396.632
where: short stacking energy: -185.130
Base-Backbone interact. energy: 0.521
local terms energy: -203.824676
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -40.849
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -49.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -565.061998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.061998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.061998 (E_RNA)
where:
Base-Base interactions energy: -365.552
where: short stacking energy: -175.714
Base-Backbone interact. energy: -0.830
local terms energy: -198.679617
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -44.840
flat angles C4'-P-C4' energy: -41.005
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -50.041
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: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -453.436815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.436815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.436815 (E_RNA)
where:
Base-Base interactions energy: -276.606
where: short stacking energy: -143.578
Base-Backbone interact. energy: -0.195
local terms energy: -176.635106
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -42.391
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -36.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -469.415869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.415869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.415869 (E_RNA)
where:
Base-Base interactions energy: -276.007
where: short stacking energy: -124.992
Base-Backbone interact. energy: -1.555
local terms energy: -191.853620
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -33.700
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: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -350.028378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.028378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.028378 (E_RNA)
where:
Base-Base interactions energy: -218.096
where: short stacking energy: -103.090
Base-Backbone interact. energy: -0.862
local terms energy: -131.070308
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -41.087
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -300.302206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.302206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.302206 (E_RNA)
where:
Base-Base interactions energy: -163.116
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.400
local terms energy: -136.787010
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -181.962230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.962230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.962230 (E_RNA)
where:
Base-Base interactions energy: -57.697
where: short stacking energy: -50.602
Base-Backbone interact. energy: -0.329
local terms energy: -123.936586
where:
bonds (distance) C4'-P energy: -35.172
bonds (distance) P-C4' energy: -46.079
flat angles C4'-P-C4' energy: -38.165
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: 6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -732.147781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.147781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.147781 (E_RNA)
where:
Base-Base interactions energy: -490.392
where: short stacking energy: -214.315
Base-Backbone interact. energy: 0.533
local terms energy: -242.288705
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -70.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -699.441266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.441266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.441266 (E_RNA)
where:
Base-Base interactions energy: -471.783
where: short stacking energy: -205.614
Base-Backbone interact. energy: 0.020
local terms energy: -227.678540
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -51.584
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: -65.235
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -680.663770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.663770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.663770 (E_RNA)
where:
Base-Base interactions energy: -440.517
where: short stacking energy: -198.249
Base-Backbone interact. energy: -1.140
local terms energy: -239.006410
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -600.454042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.454042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.454042 (E_RNA)
where:
Base-Base interactions energy: -398.334
where: short stacking energy: -188.389
Base-Backbone interact. energy: 1.539
local terms energy: -203.659307
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -50.081
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -545.762230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.762230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.762230 (E_RNA)
where:
Base-Base interactions energy: -362.930
where: short stacking energy: -156.598
Base-Backbone interact. energy: 0.442
local terms energy: -183.274277
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -46.502
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: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -435.181504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.181504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.181504 (E_RNA)
where:
Base-Base interactions energy: -258.229
where: short stacking energy: -148.330
Base-Backbone interact. energy: -0.734
local terms energy: -176.218267
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -38.783
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -32.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -485.115898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.115898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.115898 (E_RNA)
where:
Base-Base interactions energy: -317.227
where: short stacking energy: -155.559
Base-Backbone interact. energy: -0.787
local terms energy: -167.102381
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -353.402353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.402353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.402353 (E_RNA)
where:
Base-Base interactions energy: -200.669
where: short stacking energy: -97.611
Base-Backbone interact. energy: -0.386
local terms energy: -152.347098
where:
bonds (distance) C4'-P energy: -37.461
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -308.637294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.637294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.637294 (E_RNA)
where:
Base-Base interactions energy: -173.217
where: short stacking energy: -92.037
Base-Backbone interact. energy: -0.588
local terms energy: -134.831943
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -186.921953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.921953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.921953 (E_RNA)
where:
Base-Base interactions energy: -82.924
where: short stacking energy: -46.286
Base-Backbone interact. energy: -1.117
local terms energy: -102.881772
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: 4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -712.226210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.226210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.226210 (E_RNA)
where:
Base-Base interactions energy: -477.803
where: short stacking energy: -211.243
Base-Backbone interact. energy: -0.414
local terms energy: -234.008293
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -65.752
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -689.779235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.779235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.779235 (E_RNA)
where:
Base-Base interactions energy: -471.366
where: short stacking energy: -217.656
Base-Backbone interact. energy: 0.035
local terms energy: -218.448745
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -36.544
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -63.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -671.961828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.961828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.961828 (E_RNA)
where:
Base-Base interactions energy: -449.912
where: short stacking energy: -195.463
Base-Backbone interact. energy: -0.505
local terms energy: -221.544991
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -44.178
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -67.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -543.296895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.296895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.296895 (E_RNA)
where:
Base-Base interactions energy: -348.763
where: short stacking energy: -161.613
Base-Backbone interact. energy: -0.444
local terms energy: -194.089466
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -33.541
tors. eta vs tors. theta energy: -49.494
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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -592.841300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.841300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.841300 (E_RNA)
where:
Base-Base interactions energy: -402.496
where: short stacking energy: -183.163
Base-Backbone interact. energy: -0.139
local terms energy: -190.206251
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -41.655
flat angles P-C4'-P energy: -27.884
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: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -513.208287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.208287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.208287 (E_RNA)
where:
Base-Base interactions energy: -330.435
where: short stacking energy: -150.796
Base-Backbone interact. energy: -1.125
local terms energy: -181.648223
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -39.942
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -37.000
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: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -436.411837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.411837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.411837 (E_RNA)
where:
Base-Base interactions energy: -271.757
where: short stacking energy: -140.375
Base-Backbone interact. energy: -2.143
local terms energy: -162.512182
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -38.643
flat angles C4'-P-C4' energy: -38.283
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -361.548123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.548123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.548123 (E_RNA)
where:
Base-Base interactions energy: -207.180
where: short stacking energy: -106.553
Base-Backbone interact. energy: -0.147
local terms energy: -154.221380
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -380.483800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.483800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.483800 (E_RNA)
where:
Base-Base interactions energy: -231.012
where: short stacking energy: -112.037
Base-Backbone interact. energy: 1.169
local terms energy: -150.641519
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -35.997
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -30.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -185.769093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.769093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.769093 (E_RNA)
where:
Base-Base interactions energy: -79.453
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.802
local terms energy: -105.514457
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: 1.030
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: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -737.814349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.814349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.814349 (E_RNA)
where:
Base-Base interactions energy: -504.423
where: short stacking energy: -219.267
Base-Backbone interact. energy: -1.733
local terms energy: -231.658388
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -45.632
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -70.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -699.831744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.831744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.831744 (E_RNA)
where:
Base-Base interactions energy: -478.657
where: short stacking energy: -216.325
Base-Backbone interact. energy: -0.669
local terms energy: -220.504861
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -41.755
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -74.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -686.745949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.745949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.745949 (E_RNA)
where:
Base-Base interactions energy: -443.493
where: short stacking energy: -217.008
Base-Backbone interact. energy: -0.927
local terms energy: -242.325698
where:
bonds (distance) C4'-P energy: -45.325
bonds (distance) P-C4' energy: -43.965
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -69.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -546.942501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.942501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.942501 (E_RNA)
where:
Base-Base interactions energy: -354.328
where: short stacking energy: -146.073
Base-Backbone interact. energy: -0.899
local terms energy: -191.715709
where:
bonds (distance) C4'-P energy: -43.793
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -42.398
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -39.517
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -559.067087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.067087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.067087 (E_RNA)
where:
Base-Base interactions energy: -377.685
where: short stacking energy: -182.061
Base-Backbone interact. energy: 3.119
local terms energy: -184.500906
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -40.888
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -46.633
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: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -459.544369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.544369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.544369 (E_RNA)
where:
Base-Base interactions energy: -284.670
where: short stacking energy: -129.936
Base-Backbone interact. energy: -0.404
local terms energy: -174.470393
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -28.706
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: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -458.819614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.819614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.819614 (E_RNA)
where:
Base-Base interactions energy: -276.681
where: short stacking energy: -131.099
Base-Backbone interact. energy: 1.277
local terms energy: -183.415006
where:
bonds (distance) C4'-P energy: -41.875
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -44.676
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -31.279
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: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -344.834962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.834962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.834962 (E_RNA)
where:
Base-Base interactions energy: -193.936
where: short stacking energy: -100.296
Base-Backbone interact. energy: -0.972
local terms energy: -149.927562
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -41.047
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -15.695
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -356.344963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.344963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.344963 (E_RNA)
where:
Base-Base interactions energy: -217.993
where: short stacking energy: -108.743
Base-Backbone interact. energy: -0.100
local terms energy: -138.252125
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -209.735331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.735331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735331 (E_RNA)
where:
Base-Base interactions energy: -84.659
where: short stacking energy: -53.914
Base-Backbone interact. energy: 0.267
local terms energy: -125.343358
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -21.854
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -748.110507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.110507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.110507 (E_RNA)
where:
Base-Base interactions energy: -508.719
where: short stacking energy: -227.775
Base-Backbone interact. energy: -0.636
local terms energy: -238.756174
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -46.808
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -30.264
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: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -706.309915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.309915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.309915 (E_RNA)
where:
Base-Base interactions energy: -477.985
where: short stacking energy: -220.518
Base-Backbone interact. energy: -0.265
local terms energy: -228.060472
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -70.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -684.128762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.128762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.128762 (E_RNA)
where:
Base-Base interactions energy: -454.843
where: short stacking energy: -210.476
Base-Backbone interact. energy: -0.025
local terms energy: -229.260315
where:
bonds (distance) C4'-P energy: -41.558
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -70.800
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: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -594.406076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.406076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.406076 (E_RNA)
where:
Base-Base interactions energy: -391.598
where: short stacking energy: -176.288
Base-Backbone interact. energy: -0.143
local terms energy: -202.664660
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -56.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -553.570646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.570646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.570646 (E_RNA)
where:
Base-Base interactions energy: -363.449
where: short stacking energy: -172.439
Base-Backbone interact. energy: 2.336
local terms energy: -192.458381
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -37.928
flat angles C4'-P-C4' energy: -43.709
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -51.285
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: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -452.301064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.301064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.301064 (E_RNA)
where:
Base-Base interactions energy: -280.572
where: short stacking energy: -133.903
Base-Backbone interact. energy: -0.694
local terms energy: -171.034857
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -42.158
flat angles C4'-P-C4' energy: -42.576
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -474.025674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.025674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.025674 (E_RNA)
where:
Base-Base interactions energy: -313.067
where: short stacking energy: -145.911
Base-Backbone interact. energy: -0.992
local terms energy: -159.967368
where:
bonds (distance) C4'-P energy: -41.391
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -30.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -360.001587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.001587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.001587 (E_RNA)
where:
Base-Base interactions energy: -211.320
where: short stacking energy: -109.316
Base-Backbone interact. energy: 1.972
local terms energy: -150.653210
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -42.353
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -347.333433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.333433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.333433 (E_RNA)
where:
Base-Base interactions energy: -180.438
where: short stacking energy: -88.860
Base-Backbone interact. energy: -2.492
local terms energy: -164.402824
where:
bonds (distance) C4'-P energy: -41.433
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -175.390621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.390621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.390621 (E_RNA)
where:
Base-Base interactions energy: -56.255
where: short stacking energy: -48.573
Base-Backbone interact. energy: 0.607
local terms energy: -119.742682
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -0.712
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -719.360287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.360287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.360287 (E_RNA)
where:
Base-Base interactions energy: -488.104
where: short stacking energy: -237.519
Base-Backbone interact. energy: -0.652
local terms energy: -230.604415
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -26.006
tors. eta vs tors. theta energy: -72.396
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -729.164154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.164154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.164154 (E_RNA)
where:
Base-Base interactions energy: -491.751
where: short stacking energy: -219.072
Base-Backbone interact. energy: -0.138
local terms energy: -237.275354
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -73.648
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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -669.073861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.073861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.073861 (E_RNA)
where:
Base-Base interactions energy: -450.625
where: short stacking energy: -209.350
Base-Backbone interact. energy: -0.092
local terms energy: -218.356376
where:
bonds (distance) C4'-P energy: -39.665
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -43.004
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -62.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -605.744462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.744462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.744462 (E_RNA)
where:
Base-Base interactions energy: -402.898
where: short stacking energy: -183.496
Base-Backbone interact. energy: -0.847
local terms energy: -201.999511
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -49.761
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: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -568.841202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.841202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.841202 (E_RNA)
where:
Base-Base interactions energy: -366.538
where: short stacking energy: -166.228
Base-Backbone interact. energy: -0.006
local terms energy: -202.297250
where:
bonds (distance) C4'-P energy: -44.220
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -40.765
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -52.603
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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -463.028290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.028290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.028290 (E_RNA)
where:
Base-Base interactions energy: -273.767
where: short stacking energy: -145.431
Base-Backbone interact. energy: -1.400
local terms energy: -187.861930
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -32.345
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -475.559879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.559879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.559879 (E_RNA)
where:
Base-Base interactions energy: -318.351
where: short stacking energy: -144.387
Base-Backbone interact. energy: 3.989
local terms energy: -161.198134
where:
bonds (distance) C4'-P energy: -33.382
bonds (distance) P-C4' energy: -41.150
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -29.488
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: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -373.640660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.640660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.640660 (E_RNA)
where:
Base-Base interactions energy: -218.125
where: short stacking energy: -104.862
Base-Backbone interact. energy: -0.461
local terms energy: -155.055150
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -314.048206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.048206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.048206 (E_RNA)
where:
Base-Base interactions energy: -180.479
where: short stacking energy: -89.887
Base-Backbone interact. energy: 1.701
local terms energy: -135.270910
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -172.670512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.670512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.670512 (E_RNA)
where:
Base-Base interactions energy: -54.819
where: short stacking energy: -44.853
Base-Backbone interact. energy: -0.035
local terms energy: -117.816436
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: 7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -692.517975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.517975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.517975 (E_RNA)
where:
Base-Base interactions energy: -464.537
where: short stacking energy: -217.253
Base-Backbone interact. energy: -0.939
local terms energy: -227.042054
where:
bonds (distance) C4'-P energy: -41.690
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -66.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -714.329628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.329628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.329628 (E_RNA)
where:
Base-Base interactions energy: -485.426
where: short stacking energy: -219.417
Base-Backbone interact. energy: -1.014
local terms energy: -227.889821
where:
bonds (distance) C4'-P energy: -39.628
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -67.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -673.730683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.730683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.730683 (E_RNA)
where:
Base-Base interactions energy: -447.193
where: short stacking energy: -209.596
Base-Backbone interact. energy: -0.122
local terms energy: -226.415895
where:
bonds (distance) C4'-P energy: -42.375
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -32.979
tors. eta vs tors. theta energy: -63.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -610.121301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.121301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.121301 (E_RNA)
where:
Base-Base interactions energy: -398.595
where: short stacking energy: -197.898
Base-Backbone interact. energy: -0.750
local terms energy: -210.775917
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -41.348
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -59.748
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: 183
Temperature: 1.100000
Total energy: -570.226359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.226359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.226359 (E_RNA)
where:
Base-Base interactions energy: -371.706
where: short stacking energy: -161.984
Base-Backbone interact. energy: 1.201
local terms energy: -199.721363
where:
bonds (distance) C4'-P energy: -41.473
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -48.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -467.642997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.642997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.642997 (E_RNA)
where:
Base-Base interactions energy: -307.080
where: short stacking energy: -131.072
Base-Backbone interact. energy: -0.313
local terms energy: -160.249654
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -42.750
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -26.989
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: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -446.033220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.033220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.033220 (E_RNA)
where:
Base-Base interactions energy: -291.087
where: short stacking energy: -138.836
Base-Backbone interact. energy: -0.687
local terms energy: -154.259476
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -35.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -363.741138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.741138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.741138 (E_RNA)
where:
Base-Base interactions energy: -205.894
where: short stacking energy: -110.891
Base-Backbone interact. energy: -0.624
local terms energy: -157.222783
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -36.683
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -26.971
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: 183
Temperature: 1.300000
Total energy: -338.253871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.253871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.253871 (E_RNA)
where:
Base-Base interactions energy: -205.306
where: short stacking energy: -97.696
Base-Backbone interact. energy: 0.964
local terms energy: -133.911402
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -195.620209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.620209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.620209 (E_RNA)
where:
Base-Base interactions energy: -78.108
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.420
local terms energy: -117.092020
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -5.326
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: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -734.588014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.588014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.588014 (E_RNA)
where:
Base-Base interactions energy: -499.561
where: short stacking energy: -212.112
Base-Backbone interact. energy: -0.223
local terms energy: -234.803885
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -45.146
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -67.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -685.777810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.777810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.777810 (E_RNA)
where:
Base-Base interactions energy: -456.550
where: short stacking energy: -223.610
Base-Backbone interact. energy: -0.023
local terms energy: -229.204801
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: -70.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -626.941517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.941517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.941517 (E_RNA)
where:
Base-Base interactions energy: -413.992
where: short stacking energy: -189.785
Base-Backbone interact. energy: 2.719
local terms energy: -215.668482
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: -51.319
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: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -663.143895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.143895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.143895 (E_RNA)
where:
Base-Base interactions energy: -435.530
where: short stacking energy: -195.288
Base-Backbone interact. energy: 0.235
local terms energy: -227.848961
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -49.601
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -65.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -586.401500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.401500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.401500 (E_RNA)
where:
Base-Base interactions energy: -390.280
where: short stacking energy: -175.926
Base-Backbone interact. energy: -1.369
local terms energy: -194.752847
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -52.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -483.773000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.773000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.773000 (E_RNA)
where:
Base-Base interactions energy: -305.908
where: short stacking energy: -141.909
Base-Backbone interact. energy: 2.031
local terms energy: -179.895925
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -41.032
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -476.944713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.944713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.944713 (E_RNA)
where:
Base-Base interactions energy: -310.647
where: short stacking energy: -150.845
Base-Backbone interact. energy: 0.587
local terms energy: -166.884334
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -40.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -357.907796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.907796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.907796 (E_RNA)
where:
Base-Base interactions energy: -202.620
where: short stacking energy: -105.737
Base-Backbone interact. energy: -0.253
local terms energy: -155.034736
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -42.570
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: -12.226
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: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -361.726307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.726307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.726307 (E_RNA)
where:
Base-Base interactions energy: -206.859
where: short stacking energy: -103.157
Base-Backbone interact. energy: -0.564
local terms energy: -154.303085
where:
bonds (distance) C4'-P energy: -37.341
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -19.051
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -188.148640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148640 (E_RNA)
where:
Base-Base interactions energy: -76.407
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.093
local terms energy: -111.649382
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -745.633755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.633755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.633755 (E_RNA)
where:
Base-Base interactions energy: -501.314
where: short stacking energy: -228.036
Base-Backbone interact. energy: 0.783
local terms energy: -245.102784
where:
bonds (distance) C4'-P energy: -40.476
bonds (distance) P-C4' energy: -43.377
flat angles C4'-P-C4' energy: -50.892
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -68.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -685.270544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.270544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.270544 (E_RNA)
where:
Base-Base interactions energy: -449.752
where: short stacking energy: -208.189
Base-Backbone interact. energy: -0.664
local terms energy: -234.854482
where:
bonds (distance) C4'-P energy: -44.041
bonds (distance) P-C4' energy: -46.516
flat angles C4'-P-C4' energy: -45.014
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -68.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -628.215604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.215604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.215604 (E_RNA)
where:
Base-Base interactions energy: -416.322
where: short stacking energy: -192.492
Base-Backbone interact. energy: -0.677
local terms energy: -211.216662
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -47.531
flat angles P-C4'-P energy: -29.657
tors. eta vs tors. theta energy: -61.090
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: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -648.875707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.875707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.875707 (E_RNA)
where:
Base-Base interactions energy: -438.994
where: short stacking energy: -199.223
Base-Backbone interact. energy: -0.145
local terms energy: -209.736696
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -66.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -578.833264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.833264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.833264 (E_RNA)
where:
Base-Base interactions energy: -382.676
where: short stacking energy: -160.482
Base-Backbone interact. energy: -0.475
local terms energy: -195.682318
where:
bonds (distance) C4'-P energy: -32.794
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -481.007108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.007108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.007108 (E_RNA)
where:
Base-Base interactions energy: -308.250
where: short stacking energy: -139.637
Base-Backbone interact. energy: -0.318
local terms energy: -172.438620
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -44.083
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -451.129384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.129384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.129384 (E_RNA)
where:
Base-Base interactions energy: -283.262
where: short stacking energy: -141.613
Base-Backbone interact. energy: -1.363
local terms energy: -166.504321
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -342.710975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.710975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.710975 (E_RNA)
where:
Base-Base interactions energy: -187.802
where: short stacking energy: -97.732
Base-Backbone interact. energy: -0.820
local terms energy: -154.089164
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -41.440
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -19.792
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: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -338.555353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.555353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.555353 (E_RNA)
where:
Base-Base interactions energy: -186.709
where: short stacking energy: -100.673
Base-Backbone interact. energy: -1.970
local terms energy: -149.875496
where:
bonds (distance) C4'-P energy: -34.807
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -179.891465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.891465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.891465 (E_RNA)
where:
Base-Base interactions energy: -58.269
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.605
local terms energy: -121.017142
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: 7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -750.806619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.806619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.806619 (E_RNA)
where:
Base-Base interactions energy: -511.546
where: short stacking energy: -237.477
Base-Backbone interact. energy: 1.102
local terms energy: -240.362165
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -71.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -688.490467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.490467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.490467 (E_RNA)
where:
Base-Base interactions energy: -465.027
where: short stacking energy: -217.198
Base-Backbone interact. energy: 0.002
local terms energy: -223.465916
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: -71.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -674.830969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.830969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.830969 (E_RNA)
where:
Base-Base interactions energy: -433.281
where: short stacking energy: -192.842
Base-Backbone interact. energy: -0.002
local terms energy: -241.547437
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -41.573
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -39.656
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -595.735670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.735670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.735670 (E_RNA)
where:
Base-Base interactions energy: -397.629
where: short stacking energy: -186.271
Base-Backbone interact. energy: -0.094
local terms energy: -198.012392
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -56.006
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: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -546.744357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.744357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.744357 (E_RNA)
where:
Base-Base interactions energy: -384.767
where: short stacking energy: -166.556
Base-Backbone interact. energy: 0.870
local terms energy: -162.847538
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -501.905578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.905578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.905578 (E_RNA)
where:
Base-Base interactions energy: -315.962
where: short stacking energy: -148.879
Base-Backbone interact. energy: -0.396
local terms energy: -185.548222
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -28.767
flat angles C4'-P-C4' energy: -48.393
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -36.736
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: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -456.250564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.250564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.250564 (E_RNA)
where:
Base-Base interactions energy: -277.239
where: short stacking energy: -131.694
Base-Backbone interact. energy: -0.960
local terms energy: -178.052556
where:
bonds (distance) C4'-P energy: -37.783
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -32.067
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: 186
Temperature: 1.250000
Total energy: -342.475281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.475281 (E_RNA)
where:
Base-Base interactions energy: -200.527
where: short stacking energy: -98.118
Base-Backbone interact. energy: -0.862
local terms energy: -141.086418
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -360.219083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.219083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.219083 (E_RNA)
where:
Base-Base interactions energy: -203.494
where: short stacking energy: -101.786
Base-Backbone interact. energy: -1.080
local terms energy: -155.645423
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -23.343
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: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -179.867394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867394 (E_RNA)
where:
Base-Base interactions energy: -53.282
where: short stacking energy: -40.846
Base-Backbone interact. energy: 3.519
local terms energy: -130.104193
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -38.763
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: 4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -737.772933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.772933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.772933 (E_RNA)
where:
Base-Base interactions energy: -502.628
where: short stacking energy: -233.853
Base-Backbone interact. energy: -0.521
local terms energy: -234.623636
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -68.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -678.234737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.234737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.234737 (E_RNA)
where:
Base-Base interactions energy: -431.450
where: short stacking energy: -209.572
Base-Backbone interact. energy: -0.630
local terms energy: -246.154601
where:
bonds (distance) C4'-P energy: -44.385
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -70.724
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: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -673.029358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.029358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.029358 (E_RNA)
where:
Base-Base interactions energy: -441.392
where: short stacking energy: -198.188
Base-Backbone interact. energy: -0.027
local terms energy: -231.610980
where:
bonds (distance) C4'-P energy: -41.767
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -30.997
tors. eta vs tors. theta energy: -68.308
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: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -605.620691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.620691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.620691 (E_RNA)
where:
Base-Base interactions energy: -385.858
where: short stacking energy: -182.365
Base-Backbone interact. energy: -0.157
local terms energy: -219.605513
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -60.059
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: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -542.995563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.995563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.995563 (E_RNA)
where:
Base-Base interactions energy: -352.387
where: short stacking energy: -165.725
Base-Backbone interact. energy: -0.759
local terms energy: -189.849528
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -37.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -482.326981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.326981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.326981 (E_RNA)
where:
Base-Base interactions energy: -302.632
where: short stacking energy: -136.654
Base-Backbone interact. energy: -1.544
local terms energy: -178.150941
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -39.469
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -38.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -459.940115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.940115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.940115 (E_RNA)
where:
Base-Base interactions energy: -312.888
where: short stacking energy: -149.365
Base-Backbone interact. energy: -0.571
local terms energy: -146.480616
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -32.700
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: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -342.177089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.177089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.177089 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -100.345
Base-Backbone interact. energy: -1.305
local terms energy: -145.275937
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -25.938
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -339.995294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.995294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.995294 (E_RNA)
where:
Base-Base interactions energy: -189.118
where: short stacking energy: -109.628
Base-Backbone interact. energy: -0.287
local terms energy: -150.589966
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -32.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -195.793818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.793818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.793818 (E_RNA)
where:
Base-Base interactions energy: -61.722
where: short stacking energy: -60.860
Base-Backbone interact. energy: 0.776
local terms energy: -134.847880
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -727.638402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.638402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.638402 (E_RNA)
where:
Base-Base interactions energy: -500.355
where: short stacking energy: -219.047
Base-Backbone interact. energy: 2.707
local terms energy: -229.990089
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -46.858
flat angles P-C4'-P energy: -34.962
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -684.381819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.381819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.381819 (E_RNA)
where:
Base-Base interactions energy: -466.873
where: short stacking energy: -228.366
Base-Backbone interact. energy: -0.009
local terms energy: -217.500222
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -50.883
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -65.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -683.712784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.712784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.712784 (E_RNA)
where:
Base-Base interactions energy: -469.011
where: short stacking energy: -224.143
Base-Backbone interact. energy: -0.185
local terms energy: -214.516863
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -49.481
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -66.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -598.994314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.994314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.994314 (E_RNA)
where:
Base-Base interactions energy: -392.501
where: short stacking energy: -184.196
Base-Backbone interact. energy: -1.491
local terms energy: -205.002767
where:
bonds (distance) C4'-P energy: -39.166
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -45.935
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: -52.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -540.423236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.423236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.423236 (E_RNA)
where:
Base-Base interactions energy: -345.843
where: short stacking energy: -160.056
Base-Backbone interact. energy: -0.393
local terms energy: -194.186663
where:
bonds (distance) C4'-P energy: -43.328
bonds (distance) P-C4' energy: -45.299
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -42.157
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: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -494.677321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.677321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.677321 (E_RNA)
where:
Base-Base interactions energy: -327.555
where: short stacking energy: -158.678
Base-Backbone interact. energy: -0.493
local terms energy: -166.629676
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -37.252
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -41.977
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -424.364968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.364968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.364968 (E_RNA)
where:
Base-Base interactions energy: -245.772
where: short stacking energy: -110.662
Base-Backbone interact. energy: -0.518
local terms energy: -178.074984
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -43.819
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -352.779827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.779827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.779827 (E_RNA)
where:
Base-Base interactions energy: -215.468
where: short stacking energy: -101.020
Base-Backbone interact. energy: -1.137
local terms energy: -136.174817
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -323.361360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.361360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.361360 (E_RNA)
where:
Base-Base interactions energy: -172.082
where: short stacking energy: -82.154
Base-Backbone interact. energy: -0.668
local terms energy: -150.611438
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -8.140
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: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -194.164470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.164470 (E_RNA)
where:
Base-Base interactions energy: -61.656
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.638
local terms energy: -131.870832
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: 4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -746.964462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.964462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.964462 (E_RNA)
where:
Base-Base interactions energy: -507.544
where: short stacking energy: -231.047
Base-Backbone interact. energy: -0.689
local terms energy: -238.731085
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -69.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -708.121794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.121794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.121794 (E_RNA)
where:
Base-Base interactions energy: -471.523
where: short stacking energy: -224.470
Base-Backbone interact. energy: -0.320
local terms energy: -236.278443
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -41.906
flat angles C4'-P-C4' energy: -48.972
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -71.354
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -688.724196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.724196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.724196 (E_RNA)
where:
Base-Base interactions energy: -456.044
where: short stacking energy: -206.380
Base-Backbone interact. energy: -0.011
local terms energy: -232.669134
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -69.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -595.535244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.535244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.535244 (E_RNA)
where:
Base-Base interactions energy: -391.688
where: short stacking energy: -181.738
Base-Backbone interact. energy: 0.910
local terms energy: -204.756766
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -43.734
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -56.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -537.593888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.593888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.593888 (E_RNA)
where:
Base-Base interactions energy: -350.034
where: short stacking energy: -170.489
Base-Backbone interact. energy: -1.456
local terms energy: -186.103965
where:
bonds (distance) C4'-P energy: -44.185
bonds (distance) P-C4' energy: -45.863
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -38.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -513.440226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.440226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.440226 (E_RNA)
where:
Base-Base interactions energy: -324.618
where: short stacking energy: -144.342
Base-Backbone interact. energy: -0.245
local terms energy: -188.576898
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -38.190
flat angles C4'-P-C4' energy: -40.236
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -40.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -435.430220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.430220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.430220 (E_RNA)
where:
Base-Base interactions energy: -266.153
where: short stacking energy: -132.269
Base-Backbone interact. energy: -0.413
local terms energy: -168.864233
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -31.476
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: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -360.166820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.166820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.166820 (E_RNA)
where:
Base-Base interactions energy: -209.368
where: short stacking energy: -98.590
Base-Backbone interact. energy: -0.671
local terms energy: -150.128456
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -18.994
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: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -312.384512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.384512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.384512 (E_RNA)
where:
Base-Base interactions energy: -169.173
where: short stacking energy: -98.174
Base-Backbone interact. energy: -0.991
local terms energy: -142.220093
where:
bonds (distance) C4'-P energy: -28.776
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -186.455146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455146 (E_RNA)
where:
Base-Base interactions energy: -68.338
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.935
local terms energy: -117.181944
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: 6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -722.854849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.854849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.854849 (E_RNA)
where:
Base-Base interactions energy: -497.676
where: short stacking energy: -224.825
Base-Backbone interact. energy: -0.435
local terms energy: -224.743702
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -42.072
flat angles C4'-P-C4' energy: -48.109
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -69.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -690.284320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.284320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.284320 (E_RNA)
where:
Base-Base interactions energy: -455.546
where: short stacking energy: -210.713
Base-Backbone interact. energy: -0.107
local terms energy: -234.631425
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -37.865
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -66.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -679.339460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.339460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.339460 (E_RNA)
where:
Base-Base interactions energy: -447.321
where: short stacking energy: -210.455
Base-Backbone interact. energy: -0.129
local terms energy: -231.889389
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -71.094
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: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -619.962602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.962602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.962602 (E_RNA)
where:
Base-Base interactions energy: -393.191
where: short stacking energy: -179.073
Base-Backbone interact. energy: -0.157
local terms energy: -226.614648
where:
bonds (distance) C4'-P energy: -46.007
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -58.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -550.624394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.624394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.624394 (E_RNA)
where:
Base-Base interactions energy: -374.228
where: short stacking energy: -164.323
Base-Backbone interact. energy: -0.501
local terms energy: -175.895443
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -42.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -484.912005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.912005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.912005 (E_RNA)
where:
Base-Base interactions energy: -308.110
where: short stacking energy: -145.783
Base-Backbone interact. energy: -0.734
local terms energy: -176.067539
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -453.449517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.449517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.449517 (E_RNA)
where:
Base-Base interactions energy: -286.808
where: short stacking energy: -129.533
Base-Backbone interact. energy: -0.451
local terms energy: -166.191165
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -39.706
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -31.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -380.880547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.880547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.880547 (E_RNA)
where:
Base-Base interactions energy: -220.628
where: short stacking energy: -123.305
Base-Backbone interact. energy: -0.050
local terms energy: -160.202499
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -307.388035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.388035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.388035 (E_RNA)
where:
Base-Base interactions energy: -163.817
where: short stacking energy: -81.613
Base-Backbone interact. energy: -1.266
local terms energy: -142.305228
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -183.486677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.486677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.486677 (E_RNA)
where:
Base-Base interactions energy: -61.938
where: short stacking energy: -52.669
Base-Backbone interact. energy: 0.087
local terms energy: -121.635021
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -716.389647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.389647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.389647 (E_RNA)
where:
Base-Base interactions energy: -493.780
where: short stacking energy: -206.132
Base-Backbone interact. energy: -0.020
local terms energy: -222.590004
where:
bonds (distance) C4'-P energy: -45.621
bonds (distance) P-C4' energy: -43.512
flat angles C4'-P-C4' energy: -42.779
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -64.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -680.291960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.291960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.291960 (E_RNA)
where:
Base-Base interactions energy: -459.294
where: short stacking energy: -218.115
Base-Backbone interact. energy: 1.067
local terms energy: -222.064775
where:
bonds (distance) C4'-P energy: -43.344
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -44.581
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -69.474
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: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -667.696898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.696898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.696898 (E_RNA)
where:
Base-Base interactions energy: -448.786
where: short stacking energy: -195.285
Base-Backbone interact. energy: -0.738
local terms energy: -218.173583
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -58.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -571.196215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.196215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.196215 (E_RNA)
where:
Base-Base interactions energy: -369.501
where: short stacking energy: -176.907
Base-Backbone interact. energy: -0.179
local terms energy: -201.516576
where:
bonds (distance) C4'-P energy: -43.298
bonds (distance) P-C4' energy: -42.168
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -50.692
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: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -590.683212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.683212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.683212 (E_RNA)
where:
Base-Base interactions energy: -386.782
where: short stacking energy: -175.545
Base-Backbone interact. energy: -0.047
local terms energy: -203.854329
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -41.516
flat angles P-C4'-P energy: -31.602
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: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -453.678933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.678933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.678933 (E_RNA)
where:
Base-Base interactions energy: -294.419
where: short stacking energy: -143.661
Base-Backbone interact. energy: -0.347
local terms energy: -158.913490
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -32.418
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: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -471.706737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.706737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.706737 (E_RNA)
where:
Base-Base interactions energy: -291.078
where: short stacking energy: -141.629
Base-Backbone interact. energy: -0.778
local terms energy: -179.851288
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -40.461
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -344.693653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.693653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.693653 (E_RNA)
where:
Base-Base interactions energy: -189.073
where: short stacking energy: -91.293
Base-Backbone interact. energy: -0.265
local terms energy: -155.355614
where:
bonds (distance) C4'-P energy: -37.285
bonds (distance) P-C4' energy: -41.061
flat angles C4'-P-C4' energy: -44.795
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -9.258
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: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -302.297677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.297677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.297677 (E_RNA)
where:
Base-Base interactions energy: -165.281
where: short stacking energy: -94.728
Base-Backbone interact. energy: -0.380
local terms energy: -136.637378
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -188.000524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.000524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.000524 (E_RNA)
where:
Base-Base interactions energy: -67.511
where: short stacking energy: -49.537
Base-Backbone interact. energy: 1.996
local terms energy: -122.485064
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: 0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -723.742318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.742318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.742318 (E_RNA)
where:
Base-Base interactions energy: -498.502
where: short stacking energy: -200.962
Base-Backbone interact. energy: 1.380
local terms energy: -226.620303
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -47.270
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -58.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -692.910064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.910064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.910064 (E_RNA)
where:
Base-Base interactions energy: -462.358
where: short stacking energy: -211.523
Base-Backbone interact. energy: -0.599
local terms energy: -229.953303
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -47.186
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -66.606
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: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -667.441635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.441635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.441635 (E_RNA)
where:
Base-Base interactions energy: -444.413
where: short stacking energy: -207.503
Base-Backbone interact. energy: -0.674
local terms energy: -222.354854
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -39.173
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -65.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -612.221005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.221005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.221005 (E_RNA)
where:
Base-Base interactions energy: -410.922
where: short stacking energy: -188.853
Base-Backbone interact. energy: -1.902
local terms energy: -199.396555
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -30.149
tors. eta vs tors. theta energy: -53.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -599.995102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.995102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.995102 (E_RNA)
where:
Base-Base interactions energy: -398.444
where: short stacking energy: -184.529
Base-Backbone interact. energy: -1.220
local terms energy: -200.331637
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -33.327
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: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -467.110187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.110187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.110187 (E_RNA)
where:
Base-Base interactions energy: -285.729
where: short stacking energy: -131.171
Base-Backbone interact. energy: -0.453
local terms energy: -180.928272
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -32.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -444.082833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.082833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.082833 (E_RNA)
where:
Base-Base interactions energy: -282.937
where: short stacking energy: -116.481
Base-Backbone interact. energy: -1.230
local terms energy: -159.915850
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -355.752364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.752364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.752364 (E_RNA)
where:
Base-Base interactions energy: -202.640
where: short stacking energy: -104.024
Base-Backbone interact. energy: 0.018
local terms energy: -153.131066
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -339.020867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.020867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.020867 (E_RNA)
where:
Base-Base interactions energy: -201.554
where: short stacking energy: -99.347
Base-Backbone interact. energy: -1.513
local terms energy: -135.953870
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -216.647767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.647767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.647767 (E_RNA)
where:
Base-Base interactions energy: -73.843
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.677
local terms energy: -142.127237
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -738.226246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.226246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.226246 (E_RNA)
where:
Base-Base interactions energy: -501.672
where: short stacking energy: -227.022
Base-Backbone interact. energy: 0.449
local terms energy: -237.003266
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -42.139
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -34.408
tors. eta vs tors. theta energy: -74.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -694.191514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.191514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.191514 (E_RNA)
where:
Base-Base interactions energy: -456.124
where: short stacking energy: -200.020
Base-Backbone interact. energy: -0.284
local terms energy: -237.782775
where:
bonds (distance) C4'-P energy: -36.540
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -70.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -662.162111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.162111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.162111 (E_RNA)
where:
Base-Base interactions energy: -434.106
where: short stacking energy: -204.480
Base-Backbone interact. energy: -0.677
local terms energy: -227.379502
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -29.884
tors. eta vs tors. theta energy: -69.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -592.052750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.052750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.052750 (E_RNA)
where:
Base-Base interactions energy: -386.825
where: short stacking energy: -183.711
Base-Backbone interact. energy: 0.162
local terms energy: -205.389322
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -42.955
flat angles P-C4'-P energy: -36.813
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: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -561.523252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.523252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.523252 (E_RNA)
where:
Base-Base interactions energy: -376.374
where: short stacking energy: -163.337
Base-Backbone interact. energy: -0.480
local terms energy: -184.669031
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -51.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -488.801207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.801207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.801207 (E_RNA)
where:
Base-Base interactions energy: -296.840
where: short stacking energy: -138.158
Base-Backbone interact. energy: 1.702
local terms energy: -193.662878
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -43.327
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -39.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -477.717477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.717477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.717477 (E_RNA)
where:
Base-Base interactions energy: -316.830
where: short stacking energy: -128.374
Base-Backbone interact. energy: -1.643
local terms energy: -159.244173
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -35.727
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: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -357.347048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.347048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.347048 (E_RNA)
where:
Base-Base interactions energy: -192.840
where: short stacking energy: -91.170
Base-Backbone interact. energy: 0.427
local terms energy: -164.934724
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -24.584
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: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -332.985515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.985515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.985515 (E_RNA)
where:
Base-Base interactions energy: -182.721
where: short stacking energy: -86.433
Base-Backbone interact. energy: -0.307
local terms energy: -149.957830
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -186.836339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.836339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.836339 (E_RNA)
where:
Base-Base interactions energy: -60.153
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.589
local terms energy: -126.094552
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -703.546176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.546176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.546176 (E_RNA)
where:
Base-Base interactions energy: -476.258
where: short stacking energy: -220.641
Base-Backbone interact. energy: -0.278
local terms energy: -227.010517
where:
bonds (distance) C4'-P energy: -48.673
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -70.019
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: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -747.193075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.193075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.193075 (E_RNA)
where:
Base-Base interactions energy: -523.627
where: short stacking energy: -233.403
Base-Backbone interact. energy: -1.073
local terms energy: -222.492335
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -42.132
flat angles C4'-P-C4' energy: -48.438
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -69.105
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: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -652.978165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.978165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.978165 (E_RNA)
where:
Base-Base interactions energy: -439.623
where: short stacking energy: -204.377
Base-Backbone interact. energy: -0.031
local terms energy: -213.324943
where:
bonds (distance) C4'-P energy: -37.848
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -38.079
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -64.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -588.787817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.787817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.787817 (E_RNA)
where:
Base-Base interactions energy: -395.312
where: short stacking energy: -193.163
Base-Backbone interact. energy: -0.576
local terms energy: -192.900206
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -42.727
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -54.161
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: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -585.173614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.173614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.173614 (E_RNA)
where:
Base-Base interactions energy: -384.307
where: short stacking energy: -185.375
Base-Backbone interact. energy: -0.217
local terms energy: -200.648885
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -56.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -458.601663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.601663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.601663 (E_RNA)
where:
Base-Base interactions energy: -295.740
where: short stacking energy: -121.526
Base-Backbone interact. energy: -0.929
local terms energy: -161.933373
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -40.010
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -28.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -457.925369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.925369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.925369 (E_RNA)
where:
Base-Base interactions energy: -297.708
where: short stacking energy: -135.574
Base-Backbone interact. energy: -0.176
local terms energy: -160.041177
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -38.590
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -32.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -341.567019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.567019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.567019 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -97.317
Base-Backbone interact. energy: -2.591
local terms energy: -125.604390
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -37.053
flat angles C4'-P-C4' energy: -40.851
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -310.999845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.999845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.999845 (E_RNA)
where:
Base-Base interactions energy: -180.548
where: short stacking energy: -91.182
Base-Backbone interact. energy: 0.570
local terms energy: -131.022064
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -37.162
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -197.472564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.472564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.472564 (E_RNA)
where:
Base-Base interactions energy: -67.650
where: short stacking energy: -58.328
Base-Backbone interact. energy: 0.444
local terms energy: -130.266427
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -699.522881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.522881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.522881 (E_RNA)
where:
Base-Base interactions energy: -456.349
where: short stacking energy: -210.488
Base-Backbone interact. energy: -0.423
local terms energy: -242.751233
where:
bonds (distance) C4'-P energy: -45.423
bonds (distance) P-C4' energy: -44.872
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -68.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -749.855019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.855019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.855019 (E_RNA)
where:
Base-Base interactions energy: -512.602
where: short stacking energy: -229.808
Base-Backbone interact. energy: -0.207
local terms energy: -237.046114
where:
bonds (distance) C4'-P energy: -44.242
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -34.808
tors. eta vs tors. theta energy: -71.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -651.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.269730 (E_RNA)
where:
Base-Base interactions energy: -434.622
where: short stacking energy: -208.342
Base-Backbone interact. energy: -1.135
local terms energy: -215.512303
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -597.234492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.234492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.234492 (E_RNA)
where:
Base-Base interactions energy: -385.219
where: short stacking energy: -184.159
Base-Backbone interact. energy: -1.231
local terms energy: -210.785012
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -39.737
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -56.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -593.995265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.995265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.995265 (E_RNA)
where:
Base-Base interactions energy: -382.645
where: short stacking energy: -171.685
Base-Backbone interact. energy: -0.195
local terms energy: -211.156121
where:
bonds (distance) C4'-P energy: -42.185
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -52.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -505.803845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.803845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.803845 (E_RNA)
where:
Base-Base interactions energy: -322.963
where: short stacking energy: -131.841
Base-Backbone interact. energy: -0.848
local terms energy: -181.993010
where:
bonds (distance) C4'-P energy: -38.783
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -42.651
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -36.837
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -445.327283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.327283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.327283 (E_RNA)
where:
Base-Base interactions energy: -271.768
where: short stacking energy: -121.005
Base-Backbone interact. energy: -0.829
local terms energy: -172.730718
where:
bonds (distance) C4'-P energy: -39.541
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -28.438
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: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -349.406665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.406665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.406665 (E_RNA)
where:
Base-Base interactions energy: -204.115
where: short stacking energy: -105.407
Base-Backbone interact. energy: -0.326
local terms energy: -144.965618
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -292.006015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.006015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.006015 (E_RNA)
where:
Base-Base interactions energy: -152.211
where: short stacking energy: -79.737
Base-Backbone interact. energy: -1.028
local terms energy: -138.767425
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -8.373
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -185.814034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.814034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.814034 (E_RNA)
where:
Base-Base interactions energy: -58.409
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.680
local terms energy: -126.725179
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -44.011
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: 11.942
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: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -738.346644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.346644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.346644 (E_RNA)
where:
Base-Base interactions energy: -497.957
where: short stacking energy: -230.131
Base-Backbone interact. energy: -0.368
local terms energy: -240.021701
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -46.362
flat angles P-C4'-P energy: -34.809
tors. eta vs tors. theta energy: -69.406
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: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -698.118328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.118328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.118328 (E_RNA)
where:
Base-Base interactions energy: -451.590
where: short stacking energy: -205.634
Base-Backbone interact. energy: -0.412
local terms energy: -246.115893
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -41.794
flat angles C4'-P-C4' energy: -47.837
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -75.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -624.194949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.194949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.194949 (E_RNA)
where:
Base-Base interactions energy: -412.091
where: short stacking energy: -191.812
Base-Backbone interact. energy: -1.452
local terms energy: -210.652210
where:
bonds (distance) C4'-P energy: -43.305
bonds (distance) P-C4' energy: -31.628
flat angles C4'-P-C4' energy: -41.698
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -69.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -644.588266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.588266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.588266 (E_RNA)
where:
Base-Base interactions energy: -431.173
where: short stacking energy: -205.240
Base-Backbone interact. energy: -0.559
local terms energy: -212.856306
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -62.726
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -489.638090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.638090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.638090 (E_RNA)
where:
Base-Base interactions energy: -310.785
where: short stacking energy: -131.310
Base-Backbone interact. energy: -1.411
local terms energy: -177.442548
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -37.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -590.941547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.941547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.941547 (E_RNA)
where:
Base-Base interactions energy: -396.515
where: short stacking energy: -170.565
Base-Backbone interact. energy: -0.006
local terms energy: -194.420657
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -41.967
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -57.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -465.026347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.026347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.026347 (E_RNA)
where:
Base-Base interactions energy: -293.086
where: short stacking energy: -145.333
Base-Backbone interact. energy: -0.283
local terms energy: -171.657413
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -41.711
flat angles C4'-P-C4' energy: -38.337
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -371.008182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.008182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.008182 (E_RNA)
where:
Base-Base interactions energy: -222.524
where: short stacking energy: -121.965
Base-Backbone interact. energy: 0.399
local terms energy: -148.882868
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -18.122
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -304.871067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.871067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.871067 (E_RNA)
where:
Base-Base interactions energy: -182.184
where: short stacking energy: -90.217
Base-Backbone interact. energy: -0.027
local terms energy: -122.659963
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -40.453
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -14.151
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -175.976931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.976931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.976931 (E_RNA)
where:
Base-Base interactions energy: -55.668
where: short stacking energy: -41.341
Base-Backbone interact. energy: 0.521
local terms energy: -120.830264
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -740.720769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.720769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.720769 (E_RNA)
where:
Base-Base interactions energy: -504.988
where: short stacking energy: -225.869
Base-Backbone interact. energy: -0.551
local terms energy: -235.181034
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -38.150
tors. eta vs tors. theta energy: -69.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -685.862058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.862058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.862058 (E_RNA)
where:
Base-Base interactions energy: -448.670
where: short stacking energy: -211.350
Base-Backbone interact. energy: -0.502
local terms energy: -236.690098
where:
bonds (distance) C4'-P energy: -45.751
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -65.259
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: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -623.224067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.224067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.224067 (E_RNA)
where:
Base-Base interactions energy: -412.286
where: short stacking energy: -195.189
Base-Backbone interact. energy: 0.430
local terms energy: -211.368749
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -40.198
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -59.382
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: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -611.233542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.233542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.233542 (E_RNA)
where:
Base-Base interactions energy: -404.109
where: short stacking energy: -187.979
Base-Backbone interact. energy: 1.969
local terms energy: -209.093335
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -57.863
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: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -485.276491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.276491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.276491 (E_RNA)
where:
Base-Base interactions energy: -298.804
where: short stacking energy: -137.376
Base-Backbone interact. energy: -0.062
local terms energy: -186.410970
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -38.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -594.122778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.122778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.122778 (E_RNA)
where:
Base-Base interactions energy: -384.021
where: short stacking energy: -188.201
Base-Backbone interact. energy: 0.690
local terms energy: -210.791901
where:
bonds (distance) C4'-P energy: -34.982
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -33.212
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: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -454.986913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.986913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.986913 (E_RNA)
where:
Base-Base interactions energy: -284.722
where: short stacking energy: -141.854
Base-Backbone interact. energy: -0.847
local terms energy: -169.417915
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -33.553
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: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -336.353799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.353799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.353799 (E_RNA)
where:
Base-Base interactions energy: -182.575
where: short stacking energy: -99.055
Base-Backbone interact. energy: -0.641
local terms energy: -153.137145
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -40.607
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -349.143757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.143757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.143757 (E_RNA)
where:
Base-Base interactions energy: -195.680
where: short stacking energy: -95.684
Base-Backbone interact. energy: -0.596
local terms energy: -152.867372
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -20.191
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -190.991944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.991944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.991944 (E_RNA)
where:
Base-Base interactions energy: -68.734
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.725
local terms energy: -121.533258
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: 9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -732.658921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.658921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.658921 (E_RNA)
where:
Base-Base interactions energy: -490.422
where: short stacking energy: -222.375
Base-Backbone interact. energy: -0.579
local terms energy: -241.657946
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -70.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -707.618811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.618811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.618811 (E_RNA)
where:
Base-Base interactions energy: -468.981
where: short stacking energy: -224.595
Base-Backbone interact. energy: -0.142
local terms energy: -238.496660
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -42.885
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -74.782
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: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -610.948387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.948387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.948387 (E_RNA)
where:
Base-Base interactions energy: -388.590
where: short stacking energy: -193.352
Base-Backbone interact. energy: -1.877
local terms energy: -220.481611
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -48.601
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -56.536
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -646.969173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.969173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.969173 (E_RNA)
where:
Base-Base interactions energy: -426.019
where: short stacking energy: -203.396
Base-Backbone interact. energy: -0.525
local terms energy: -220.425342
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -57.787
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -599.680455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.680455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.680455 (E_RNA)
where:
Base-Base interactions energy: -398.104
where: short stacking energy: -179.114
Base-Backbone interact. energy: 1.482
local terms energy: -203.058654
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -55.010
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: 198
Temperature: 1.150000
Total energy: -460.753972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.753972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.753972 (E_RNA)
where:
Base-Base interactions energy: -297.148
where: short stacking energy: -131.549
Base-Backbone interact. energy: -1.032
local terms energy: -162.574204
where:
bonds (distance) C4'-P energy: -36.952
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -42.647
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -434.623899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.623899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.623899 (E_RNA)
where:
Base-Base interactions energy: -265.322
where: short stacking energy: -125.595
Base-Backbone interact. energy: 1.272
local terms energy: -170.574186
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -45.211
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -30.093
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: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -353.855243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.855243 (E_RNA)
where:
Base-Base interactions energy: -212.215
where: short stacking energy: -109.230
Base-Backbone interact. energy: 0.376
local terms energy: -142.016686
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -40.203
flat angles P-C4'-P energy: -18.861
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -331.013969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.013969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.013969 (E_RNA)
where:
Base-Base interactions energy: -195.281
where: short stacking energy: -105.621
Base-Backbone interact. energy: -0.922
local terms energy: -134.810991
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -174.594797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.594797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.594797 (E_RNA)
where:
Base-Base interactions energy: -64.803
where: short stacking energy: -46.074
Base-Backbone interact. energy: -1.167
local terms energy: -108.625147
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: 9.713
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: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -724.356069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.356069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.356069 (E_RNA)
where:
Base-Base interactions energy: -485.885
where: short stacking energy: -212.089
Base-Backbone interact. energy: 0.013
local terms energy: -238.483535
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -48.304
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -67.923
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: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -708.487565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.487565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.487565 (E_RNA)
where:
Base-Base interactions energy: -474.754
where: short stacking energy: -217.306
Base-Backbone interact. energy: -0.792
local terms energy: -232.942291
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -42.181
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -75.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -603.854427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.854427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.854427 (E_RNA)
where:
Base-Base interactions energy: -406.655
where: short stacking energy: -189.678
Base-Backbone interact. energy: -0.075
local terms energy: -197.123798
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -52.196
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: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -659.012095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.012095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.012095 (E_RNA)
where:
Base-Base interactions energy: -441.082
where: short stacking energy: -215.571
Base-Backbone interact. energy: -0.074
local terms energy: -217.856188
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -29.436
tors. eta vs tors. theta energy: -66.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -628.833830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.833830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.833830 (E_RNA)
where:
Base-Base interactions energy: -418.475
where: short stacking energy: -192.578
Base-Backbone interact. energy: -0.465
local terms energy: -209.893755
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -61.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -471.635746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.635746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.635746 (E_RNA)
where:
Base-Base interactions energy: -289.864
where: short stacking energy: -146.140
Base-Backbone interact. energy: -0.680
local terms energy: -181.091237
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -45.095
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -36.628
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: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -432.554155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.554155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.554155 (E_RNA)
where:
Base-Base interactions energy: -264.631
where: short stacking energy: -125.064
Base-Backbone interact. energy: -0.745
local terms energy: -167.178606
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -42.249
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -30.944
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: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -335.235400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.235400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.235400 (E_RNA)
where:
Base-Base interactions energy: -201.452
where: short stacking energy: -107.990
Base-Backbone interact. energy: 0.798
local terms energy: -134.580798
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -333.334541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.334541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.334541 (E_RNA)
where:
Base-Base interactions energy: -193.612
where: short stacking energy: -104.562
Base-Backbone interact. energy: -3.154
local terms energy: -136.568730
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -205.550472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.550472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.550472 (E_RNA)
where:
Base-Base interactions energy: -78.125
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.323
local terms energy: -127.102157
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -735.266068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.266068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.266068 (E_RNA)
where:
Base-Base interactions energy: -505.537
where: short stacking energy: -225.050
Base-Backbone interact. energy: -0.866
local terms energy: -228.863414
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -65.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -700.353493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.353493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.353493 (E_RNA)
where:
Base-Base interactions energy: -474.828
where: short stacking energy: -214.045
Base-Backbone interact. energy: -0.356
local terms energy: -225.169493
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -39.434
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -72.688
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -664.353384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.353384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.353384 (E_RNA)
where:
Base-Base interactions energy: -456.091
where: short stacking energy: -205.229
Base-Backbone interact. energy: -0.106
local terms energy: -208.156220
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -62.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -625.920416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.920416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.920416 (E_RNA)
where:
Base-Base interactions energy: -409.624
where: short stacking energy: -208.839
Base-Backbone interact. energy: -0.368
local terms energy: -215.928500
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -62.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -595.465066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.465066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.465066 (E_RNA)
where:
Base-Base interactions energy: -396.981
where: short stacking energy: -186.734
Base-Backbone interact. energy: -0.522
local terms energy: -197.962027
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -42.515
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -57.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -462.122475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.122475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.122475 (E_RNA)
where:
Base-Base interactions energy: -282.308
where: short stacking energy: -142.627
Base-Backbone interact. energy: 0.364
local terms energy: -180.178609
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -34.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -455.032896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.032896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.032896 (E_RNA)
where:
Base-Base interactions energy: -282.838
where: short stacking energy: -145.391
Base-Backbone interact. energy: -1.070
local terms energy: -171.124631
where:
bonds (distance) C4'-P energy: -34.552
bonds (distance) P-C4' energy: -42.811
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -38.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -359.118770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.118770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.118770 (E_RNA)
where:
Base-Base interactions energy: -205.434
where: short stacking energy: -105.775
Base-Backbone interact. energy: -0.760
local terms energy: -152.924932
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -18.037
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -307.588915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.588915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.588915 (E_RNA)
where:
Base-Base interactions energy: -165.914
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.933
local terms energy: -140.741600
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -218.431670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431670 (E_RNA)
where:
Base-Base interactions energy: -111.565
where: short stacking energy: -56.780
Base-Backbone interact. energy: -0.765
local terms energy: -106.101485
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: 7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -737.441754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.441754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.441754 (E_RNA)
where:
Base-Base interactions energy: -487.947
where: short stacking energy: -222.574
Base-Backbone interact. energy: -0.920
local terms energy: -248.574282
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -47.864
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -77.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -694.739979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.739979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.739979 (E_RNA)
where:
Base-Base interactions energy: -470.540
where: short stacking energy: -220.292
Base-Backbone interact. energy: -0.954
local terms energy: -223.245583
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -674.613969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.613969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.613969 (E_RNA)
where:
Base-Base interactions energy: -452.000
where: short stacking energy: -211.750
Base-Backbone interact. energy: -0.341
local terms energy: -222.273033
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -61.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -610.094751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.094751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.094751 (E_RNA)
where:
Base-Base interactions energy: -405.384
where: short stacking energy: -164.715
Base-Backbone interact. energy: -0.178
local terms energy: -204.532446
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -53.723
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: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -589.606267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.606267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.606267 (E_RNA)
where:
Base-Base interactions energy: -384.918
where: short stacking energy: -183.971
Base-Backbone interact. energy: -0.057
local terms energy: -204.631321
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -51.910
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: 201
Temperature: 1.150000
Total energy: -451.731390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.731390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.731390 (E_RNA)
where:
Base-Base interactions energy: -275.369
where: short stacking energy: -136.894
Base-Backbone interact. energy: -0.888
local terms energy: -175.474467
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -42.277
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -33.226
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: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -412.504424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.504424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.504424 (E_RNA)
where:
Base-Base interactions energy: -273.266
where: short stacking energy: -129.694
Base-Backbone interact. energy: 0.517
local terms energy: -139.755705
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -354.238953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.238953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.238953 (E_RNA)
where:
Base-Base interactions energy: -194.035
where: short stacking energy: -109.822
Base-Backbone interact. energy: -0.478
local terms energy: -159.726724
where:
bonds (distance) C4'-P energy: -39.963
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -35.502
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -314.335276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.335276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.335276 (E_RNA)
where:
Base-Base interactions energy: -169.970
where: short stacking energy: -103.007
Base-Backbone interact. energy: 0.070
local terms energy: -144.435133
where:
bonds (distance) C4'-P energy: -39.895
bonds (distance) P-C4' energy: -38.918
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -10.094
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: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -257.438400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.438400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.438400 (E_RNA)
where:
Base-Base interactions energy: -128.140
where: short stacking energy: -77.150
Base-Backbone interact. energy: -0.986
local terms energy: -128.312337
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -736.568642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.568642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.568642 (E_RNA)
where:
Base-Base interactions energy: -504.918
where: short stacking energy: -220.749
Base-Backbone interact. energy: -0.513
local terms energy: -231.137815
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -48.971
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -67.201
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -684.555502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.555502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.555502 (E_RNA)
where:
Base-Base interactions energy: -459.938
where: short stacking energy: -202.455
Base-Backbone interact. energy: -0.630
local terms energy: -223.987522
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -68.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -676.569376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.569376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.569376 (E_RNA)
where:
Base-Base interactions energy: -445.211
where: short stacking energy: -212.644
Base-Backbone interact. energy: -0.565
local terms energy: -230.792907
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -42.418
flat angles C4'-P-C4' energy: -51.493
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: -65.865
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: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -608.143579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.143579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.143579 (E_RNA)
where:
Base-Base interactions energy: -404.590
where: short stacking energy: -192.424
Base-Backbone interact. energy: -1.249
local terms energy: -202.305036
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -63.256
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: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -566.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.341514 (E_RNA)
where:
Base-Base interactions energy: -391.317
where: short stacking energy: -181.979
Base-Backbone interact. energy: -1.569
local terms energy: -173.455621
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -50.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -457.503742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.503742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.503742 (E_RNA)
where:
Base-Base interactions energy: -278.839
where: short stacking energy: -146.662
Base-Backbone interact. energy: 0.750
local terms energy: -179.414757
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -34.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -420.249452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.249452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.249452 (E_RNA)
where:
Base-Base interactions energy: -258.381
where: short stacking energy: -112.782
Base-Backbone interact. energy: -1.583
local terms energy: -160.284863
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -24.828
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: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -364.123567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.123567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.123567 (E_RNA)
where:
Base-Base interactions energy: -213.572
where: short stacking energy: -106.648
Base-Backbone interact. energy: -0.733
local terms energy: -149.819214
where:
bonds (distance) C4'-P energy: -35.263
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -314.383730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.383730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.383730 (E_RNA)
where:
Base-Base interactions energy: -175.561
where: short stacking energy: -90.260
Base-Backbone interact. energy: -1.368
local terms energy: -137.454398
where:
bonds (distance) C4'-P energy: -38.872
bonds (distance) P-C4' energy: -39.165
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -2.824
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: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -249.598239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.598239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.598239 (E_RNA)
where:
Base-Base interactions energy: -119.421
where: short stacking energy: -66.042
Base-Backbone interact. energy: -1.312
local terms energy: -128.865699
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -749.731601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.731601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.731601 (E_RNA)
where:
Base-Base interactions energy: -517.968
where: short stacking energy: -229.919
Base-Backbone interact. energy: -0.807
local terms energy: -230.956522
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -46.848
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -70.813
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -704.174871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.174871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.174871 (E_RNA)
where:
Base-Base interactions energy: -479.382
where: short stacking energy: -217.286
Base-Backbone interact. energy: -0.099
local terms energy: -224.693894
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -39.905
flat angles P-C4'-P energy: -36.364
tors. eta vs tors. theta energy: -68.554
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: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -670.479060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.479060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.479060 (E_RNA)
where:
Base-Base interactions energy: -447.888
where: short stacking energy: -204.661
Base-Backbone interact. energy: -0.908
local terms energy: -221.682778
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -39.427
flat angles C4'-P-C4' energy: -49.694
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -60.689
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -626.563886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.563886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.563886 (E_RNA)
where:
Base-Base interactions energy: -405.489
where: short stacking energy: -197.694
Base-Backbone interact. energy: -1.186
local terms energy: -219.889128
where:
bonds (distance) C4'-P energy: -36.261
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -60.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -578.546181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.546181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.546181 (E_RNA)
where:
Base-Base interactions energy: -379.001
where: short stacking energy: -186.360
Base-Backbone interact. energy: -0.169
local terms energy: -199.376555
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -42.634
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -49.993
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -451.840911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.840911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.840911 (E_RNA)
where:
Base-Base interactions energy: -273.739
where: short stacking energy: -139.237
Base-Backbone interact. energy: -1.408
local terms energy: -176.693691
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -428.541575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.541575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.541575 (E_RNA)
where:
Base-Base interactions energy: -274.979
where: short stacking energy: -145.249
Base-Backbone interact. energy: 1.746
local terms energy: -155.309214
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -24.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -362.008954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.008954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.008954 (E_RNA)
where:
Base-Base interactions energy: -209.638
where: short stacking energy: -102.612
Base-Backbone interact. energy: -2.108
local terms energy: -150.263049
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -23.286
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: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -298.116576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.116576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.116576 (E_RNA)
where:
Base-Base interactions energy: -184.077
where: short stacking energy: -93.066
Base-Backbone interact. energy: -0.558
local terms energy: -113.481336
where:
bonds (distance) C4'-P energy: -38.502
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -6.728
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: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -229.386017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.386017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.386017 (E_RNA)
where:
Base-Base interactions energy: -102.212
where: short stacking energy: -44.522
Base-Backbone interact. energy: 0.781
local terms energy: -127.955414
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -741.394047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.394047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.394047 (E_RNA)
where:
Base-Base interactions energy: -507.150
where: short stacking energy: -226.772
Base-Backbone interact. energy: -1.515
local terms energy: -232.729811
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -42.799
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -685.272441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.272441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.272441 (E_RNA)
where:
Base-Base interactions energy: -450.923
where: short stacking energy: -196.808
Base-Backbone interact. energy: 0.078
local terms energy: -234.427769
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -48.079
flat angles C4'-P-C4' energy: -44.709
flat angles P-C4'-P energy: -31.211
tors. eta vs tors. theta energy: -64.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -622.941600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.941600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.941600 (E_RNA)
where:
Base-Base interactions energy: -402.811
where: short stacking energy: -175.564
Base-Backbone interact. energy: -1.640
local terms energy: -218.490309
where:
bonds (distance) C4'-P energy: -37.427
bonds (distance) P-C4' energy: -40.716
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -656.543981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.543981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.543981 (E_RNA)
where:
Base-Base interactions energy: -448.451
where: short stacking energy: -205.709
Base-Backbone interact. energy: -1.082
local terms energy: -207.010921
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -38.322
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -67.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -578.749463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.749463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.749463 (E_RNA)
where:
Base-Base interactions energy: -385.810
where: short stacking energy: -177.279
Base-Backbone interact. energy: 1.981
local terms energy: -194.920092
where:
bonds (distance) C4'-P energy: -35.252
bonds (distance) P-C4' energy: -39.937
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -50.729
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: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -465.653458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.653458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.653458 (E_RNA)
where:
Base-Base interactions energy: -292.391
where: short stacking energy: -135.619
Base-Backbone interact. energy: -0.397
local terms energy: -172.865336
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -39.425
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -415.173277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.173277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.173277 (E_RNA)
where:
Base-Base interactions energy: -254.376
where: short stacking energy: -121.692
Base-Backbone interact. energy: -0.299
local terms energy: -160.498840
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -27.479
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -328.677296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.677296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.677296 (E_RNA)
where:
Base-Base interactions energy: -188.289
where: short stacking energy: -104.920
Base-Backbone interact. energy: -0.449
local terms energy: -139.938984
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -46.626
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -16.116
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: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -321.875346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.875346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.875346 (E_RNA)
where:
Base-Base interactions energy: -174.379
where: short stacking energy: -75.707
Base-Backbone interact. energy: -0.673
local terms energy: -146.823029
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -233.726893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.726893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.726893 (E_RNA)
where:
Base-Base interactions energy: -123.678
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.512
local terms energy: -109.536632
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -747.817665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.817665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.817665 (E_RNA)
where:
Base-Base interactions energy: -497.311
where: short stacking energy: -215.809
Base-Backbone interact. energy: -0.383
local terms energy: -250.122922
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -40.138
tors. eta vs tors. theta energy: -71.660
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: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -641.063548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.063548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.063548 (E_RNA)
where:
Base-Base interactions energy: -420.780
where: short stacking energy: -199.565
Base-Backbone interact. energy: -0.637
local terms energy: -219.646546
where:
bonds (distance) C4'-P energy: -42.297
bonds (distance) P-C4' energy: -39.017
flat angles C4'-P-C4' energy: -48.981
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -58.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -673.962052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.962052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.962052 (E_RNA)
where:
Base-Base interactions energy: -450.268
where: short stacking energy: -218.508
Base-Backbone interact. energy: 0.107
local terms energy: -223.801382
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -73.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -663.813877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.813877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.813877 (E_RNA)
where:
Base-Base interactions energy: -449.979
where: short stacking energy: -200.748
Base-Backbone interact. energy: -0.011
local terms energy: -213.823509
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -66.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -589.803215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.803215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.803215 (E_RNA)
where:
Base-Base interactions energy: -387.434
where: short stacking energy: -174.407
Base-Backbone interact. energy: -1.128
local terms energy: -201.240996
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -29.933
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -437.247952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.247952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.247952 (E_RNA)
where:
Base-Base interactions energy: -282.861
where: short stacking energy: -137.860
Base-Backbone interact. energy: -0.676
local terms energy: -153.711210
where:
bonds (distance) C4'-P energy: -34.715
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -42.544
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -478.721475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.721475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.721475 (E_RNA)
where:
Base-Base interactions energy: -320.594
where: short stacking energy: -139.487
Base-Backbone interact. energy: -0.518
local terms energy: -157.609784
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -373.411777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.411777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.411777 (E_RNA)
where:
Base-Base interactions energy: -220.984
where: short stacking energy: -111.303
Base-Backbone interact. energy: -2.202
local terms energy: -150.224904
where:
bonds (distance) C4'-P energy: -39.742
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -329.772993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.772993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.772993 (E_RNA)
where:
Base-Base interactions energy: -203.535
where: short stacking energy: -109.004
Base-Backbone interact. energy: -1.453
local terms energy: -124.785727
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -45.239
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -242.613582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.613582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.613582 (E_RNA)
where:
Base-Base interactions energy: -114.371
where: short stacking energy: -67.970
Base-Backbone interact. energy: 0.421
local terms energy: -128.663673
where:
bonds (distance) C4'-P energy: -36.224
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -747.174507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.174507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.174507 (E_RNA)
where:
Base-Base interactions energy: -509.834
where: short stacking energy: -232.977
Base-Backbone interact. energy: 0.045
local terms energy: -237.385042
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -46.654
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -34.644
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: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -642.924695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.924695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.924695 (E_RNA)
where:
Base-Base interactions energy: -421.113
where: short stacking energy: -221.496
Base-Backbone interact. energy: -0.397
local terms energy: -221.414814
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -66.842
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -681.705150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.705150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.705150 (E_RNA)
where:
Base-Base interactions energy: -446.704
where: short stacking energy: -194.549
Base-Backbone interact. energy: -0.323
local terms energy: -234.677994
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -45.780
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -61.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -664.270538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.270538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.270538 (E_RNA)
where:
Base-Base interactions energy: -439.493
where: short stacking energy: -198.543
Base-Backbone interact. energy: -1.014
local terms energy: -223.763423
where:
bonds (distance) C4'-P energy: -42.823
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -48.036
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -65.575
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: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -596.894021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.894021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.894021 (E_RNA)
where:
Base-Base interactions energy: -407.276
where: short stacking energy: -201.247
Base-Backbone interact. energy: -0.581
local terms energy: -189.037202
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -38.404
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -56.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -414.563449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.563449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.563449 (E_RNA)
where:
Base-Base interactions energy: -249.874
where: short stacking energy: -111.048
Base-Backbone interact. energy: 0.116
local terms energy: -164.805473
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -45.692
flat angles C4'-P-C4' energy: -42.905
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -21.007
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: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -442.952735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.952735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.952735 (E_RNA)
where:
Base-Base interactions energy: -283.345
where: short stacking energy: -123.855
Base-Backbone interact. energy: 1.075
local terms energy: -160.682531
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -367.398107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.398107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.398107 (E_RNA)
where:
Base-Base interactions energy: -216.573
where: short stacking energy: -116.630
Base-Backbone interact. energy: 0.666
local terms energy: -151.491360
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -253.833636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.833636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.833636 (E_RNA)
where:
Base-Base interactions energy: -120.064
where: short stacking energy: -78.171
Base-Backbone interact. energy: 0.827
local terms energy: -134.596859
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -252.115772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.115772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.115772 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -75.676
Base-Backbone interact. energy: 1.150
local terms energy: -115.472600
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -740.155154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.155154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.155154 (E_RNA)
where:
Base-Base interactions energy: -491.829
where: short stacking energy: -219.590
Base-Backbone interact. energy: -1.032
local terms energy: -247.293730
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -46.969
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -72.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -701.803611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.803611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.803611 (E_RNA)
where:
Base-Base interactions energy: -469.371
where: short stacking energy: -219.466
Base-Backbone interact. energy: -0.236
local terms energy: -232.195991
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -68.196
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -638.205263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.205263 (E_RNA)
where:
Base-Base interactions energy: -445.552
where: short stacking energy: -207.051
Base-Backbone interact. energy: 1.405
local terms energy: -194.057935
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -59.967
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: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -595.521787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.521787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.521787 (E_RNA)
where:
Base-Base interactions energy: -378.020
where: short stacking energy: -172.267
Base-Backbone interact. energy: -1.889
local terms energy: -215.612150
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -49.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -642.731284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.731284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.731284 (E_RNA)
where:
Base-Base interactions energy: -429.148
where: short stacking energy: -196.086
Base-Backbone interact. energy: -0.452
local terms energy: -213.131248
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -44.541
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -66.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -437.089736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.089736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.089736 (E_RNA)
where:
Base-Base interactions energy: -277.162
where: short stacking energy: -142.263
Base-Backbone interact. energy: -1.840
local terms energy: -158.088176
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -38.211
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -27.585
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: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -432.390818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.390818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.390818 (E_RNA)
where:
Base-Base interactions energy: -272.972
where: short stacking energy: -134.522
Base-Backbone interact. energy: 2.804
local terms energy: -162.222777
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -38.335
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -32.742
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -364.570259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.570259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.570259 (E_RNA)
where:
Base-Base interactions energy: -205.641
where: short stacking energy: -103.143
Base-Backbone interact. energy: 0.685
local terms energy: -159.614062
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -17.548
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: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -237.044684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.044684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.044684 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -76.912
Base-Backbone interact. energy: -2.576
local terms energy: -118.551750
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -249.246156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.246156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.246156 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.176
local terms energy: -121.459583
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -32.304
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -0.076
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: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -759.662968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.662968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.662968 (E_RNA)
where:
Base-Base interactions energy: -511.379
where: short stacking energy: -234.487
Base-Backbone interact. energy: -1.124
local terms energy: -247.159689
where:
bonds (distance) C4'-P energy: -45.105
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -74.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -696.033365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.033365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.033365 (E_RNA)
where:
Base-Base interactions energy: -475.668
where: short stacking energy: -215.006
Base-Backbone interact. energy: -0.186
local terms energy: -220.179418
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -65.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -640.091299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.091299 (E_RNA)
where:
Base-Base interactions energy: -417.426
where: short stacking energy: -208.743
Base-Backbone interact. energy: -0.989
local terms energy: -221.676334
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -57.894
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: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -593.741746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.741746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.741746 (E_RNA)
where:
Base-Base interactions energy: -385.484
where: short stacking energy: -179.151
Base-Backbone interact. energy: -0.797
local terms energy: -207.460613
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -45.107
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -641.292826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.292826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.292826 (E_RNA)
where:
Base-Base interactions energy: -428.384
where: short stacking energy: -178.977
Base-Backbone interact. energy: -0.172
local terms energy: -212.736470
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -47.035
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -54.436
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -468.419332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.419332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.419332 (E_RNA)
where:
Base-Base interactions energy: -298.276
where: short stacking energy: -139.919
Base-Backbone interact. energy: -0.359
local terms energy: -169.783692
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -436.684087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.684087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.684087 (E_RNA)
where:
Base-Base interactions energy: -274.105
where: short stacking energy: -147.242
Base-Backbone interact. energy: -1.725
local terms energy: -160.853562
where:
bonds (distance) C4'-P energy: -35.672
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -38.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -387.391321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.391321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.391321 (E_RNA)
where:
Base-Base interactions energy: -230.448
where: short stacking energy: -106.267
Base-Backbone interact. energy: 1.116
local terms energy: -158.059981
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -253.141141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.141141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.141141 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -89.639
Base-Backbone interact. energy: -2.618
local terms energy: -117.485817
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -225.501196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501196 (E_RNA)
where:
Base-Base interactions energy: -109.531
where: short stacking energy: -59.941
Base-Backbone interact. energy: 1.550
local terms energy: -117.519673
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: 7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -742.268826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.268826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.268826 (E_RNA)
where:
Base-Base interactions energy: -497.367
where: short stacking energy: -218.464
Base-Backbone interact. energy: -1.044
local terms energy: -243.857240
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -45.246
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -72.447
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: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -647.362701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.362701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.362701 (E_RNA)
where:
Base-Base interactions energy: -423.609
where: short stacking energy: -208.803
Base-Backbone interact. energy: -0.432
local terms energy: -223.321145
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -44.931
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -62.014
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: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -679.623393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.623393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.623393 (E_RNA)
where:
Base-Base interactions energy: -460.230
where: short stacking energy: -207.689
Base-Backbone interact. energy: -1.365
local terms energy: -218.027792
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -64.779
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: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -660.476530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.476530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.476530 (E_RNA)
where:
Base-Base interactions energy: -447.621
where: short stacking energy: -195.937
Base-Backbone interact. energy: 0.381
local terms energy: -213.236608
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -46.419
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -62.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -585.814563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.814563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.814563 (E_RNA)
where:
Base-Base interactions energy: -379.440
where: short stacking energy: -163.147
Base-Backbone interact. energy: -0.889
local terms energy: -205.485815
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -52.941
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: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -467.094551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.094551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.094551 (E_RNA)
where:
Base-Base interactions energy: -293.120
where: short stacking energy: -141.164
Base-Backbone interact. energy: -0.900
local terms energy: -173.074546
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -413.699813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.699813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.699813 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -126.655
Base-Backbone interact. energy: -0.506
local terms energy: -164.918512
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -384.646635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.646635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.646635 (E_RNA)
where:
Base-Base interactions energy: -231.907
where: short stacking energy: -106.402
Base-Backbone interact. energy: -1.809
local terms energy: -150.930287
where:
bonds (distance) C4'-P energy: -38.868
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -252.348220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.348220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.348220 (E_RNA)
where:
Base-Base interactions energy: -132.728
where: short stacking energy: -89.872
Base-Backbone interact. energy: 1.743
local terms energy: -121.363509
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -206.516001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.516001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.516001 (E_RNA)
where:
Base-Base interactions energy: -93.617
where: short stacking energy: -41.486
Base-Backbone interact. energy: -1.134
local terms energy: -111.764949
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 10.232
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: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -747.374282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.374282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.374282 (E_RNA)
where:
Base-Base interactions energy: -502.690
where: short stacking energy: -226.052
Base-Backbone interact. energy: -1.098
local terms energy: -243.585482
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -48.930
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -74.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -656.507884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.507884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.507884 (E_RNA)
where:
Base-Base interactions energy: -427.983
where: short stacking energy: -208.851
Base-Backbone interact. energy: -1.002
local terms energy: -227.521918
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -47.345
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -64.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -672.739377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.739377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.739377 (E_RNA)
where:
Base-Base interactions energy: -454.864
where: short stacking energy: -208.911
Base-Backbone interact. energy: -0.562
local terms energy: -217.313368
where:
bonds (distance) C4'-P energy: -36.751
bonds (distance) P-C4' energy: -42.224
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -64.954
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -644.408322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.408322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.408322 (E_RNA)
where:
Base-Base interactions energy: -434.496
where: short stacking energy: -195.576
Base-Backbone interact. energy: -0.326
local terms energy: -209.587165
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -65.958
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: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -550.411178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.411178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.411178 (E_RNA)
where:
Base-Base interactions energy: -347.762
where: short stacking energy: -149.115
Base-Backbone interact. energy: -1.044
local terms energy: -201.605439
where:
bonds (distance) C4'-P energy: -44.107
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -47.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -468.266881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.266881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.266881 (E_RNA)
where:
Base-Base interactions energy: -303.628
where: short stacking energy: -139.893
Base-Backbone interact. energy: -0.711
local terms energy: -163.927801
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -30.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -429.972542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.972542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.972542 (E_RNA)
where:
Base-Base interactions energy: -257.844
where: short stacking energy: -124.202
Base-Backbone interact. energy: 0.193
local terms energy: -172.321795
where:
bonds (distance) C4'-P energy: -40.320
bonds (distance) P-C4' energy: -43.383
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -33.241
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: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -345.895013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.895013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.895013 (E_RNA)
where:
Base-Base interactions energy: -198.231
where: short stacking energy: -109.676
Base-Backbone interact. energy: 4.532
local terms energy: -152.196505
where:
bonds (distance) C4'-P energy: -32.210
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -270.986719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.986719 (E_RNA)
where:
Base-Base interactions energy: -126.467
where: short stacking energy: -58.229
Base-Backbone interact. energy: 0.583
local terms energy: -145.102684
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -40.225
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -5.650
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: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -286.744475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.744475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.744475 (E_RNA)
where:
Base-Base interactions energy: -160.098
where: short stacking energy: -83.269
Base-Backbone interact. energy: 0.620
local terms energy: -127.266371
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -41.710
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -746.058119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.058119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.058119 (E_RNA)
where:
Base-Base interactions energy: -498.028
where: short stacking energy: -230.984
Base-Backbone interact. energy: -0.542
local terms energy: -247.488017
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -35.289
tors. eta vs tors. theta energy: -75.232
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: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -695.056650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.056650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.056650 (E_RNA)
where:
Base-Base interactions energy: -461.551
where: short stacking energy: -215.605
Base-Backbone interact. energy: -0.729
local terms energy: -232.776707
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -69.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -650.993610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.993610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.993610 (E_RNA)
where:
Base-Base interactions energy: -439.583
where: short stacking energy: -210.687
Base-Backbone interact. energy: -0.383
local terms energy: -211.027100
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -48.249
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -55.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -654.623451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.623451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.623451 (E_RNA)
where:
Base-Base interactions energy: -434.128
where: short stacking energy: -190.767
Base-Backbone interact. energy: -0.967
local terms energy: -219.528385
where:
bonds (distance) C4'-P energy: -41.534
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -46.327
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -61.146
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -580.267153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.267153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.267153 (E_RNA)
where:
Base-Base interactions energy: -382.633
where: short stacking energy: -174.851
Base-Backbone interact. energy: 0.035
local terms energy: -197.668571
where:
bonds (distance) C4'-P energy: -37.626
bonds (distance) P-C4' energy: -40.522
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -50.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -484.795351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.795351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.795351 (E_RNA)
where:
Base-Base interactions energy: -311.213
where: short stacking energy: -153.126
Base-Backbone interact. energy: -0.889
local terms energy: -172.693045
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -44.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -417.075260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.075260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.075260 (E_RNA)
where:
Base-Base interactions energy: -243.614
where: short stacking energy: -117.569
Base-Backbone interact. energy: -1.237
local terms energy: -172.224151
where:
bonds (distance) C4'-P energy: -40.730
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -38.193
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -24.367
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: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -352.929277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.929277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.929277 (E_RNA)
where:
Base-Base interactions energy: -203.989
where: short stacking energy: -106.653
Base-Backbone interact. energy: -0.008
local terms energy: -148.931732
where:
bonds (distance) C4'-P energy: -35.423
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -264.385655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.385655 (E_RNA)
where:
Base-Base interactions energy: -147.031
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.255
local terms energy: -117.099232
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: 8.374
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: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -280.671248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.671248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.671248 (E_RNA)
where:
Base-Base interactions energy: -151.365
where: short stacking energy: -73.763
Base-Backbone interact. energy: 0.445
local terms energy: -129.751302
where:
bonds (distance) C4'-P energy: -34.336
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -0.743
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: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -759.661768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.661768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.661768 (E_RNA)
where:
Base-Base interactions energy: -515.950
where: short stacking energy: -233.051
Base-Backbone interact. energy: -1.323
local terms energy: -242.389227
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -48.433
flat angles P-C4'-P energy: -32.380
tors. eta vs tors. theta energy: -75.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -704.459705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.459705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.459705 (E_RNA)
where:
Base-Base interactions energy: -490.025
where: short stacking energy: -229.299
Base-Backbone interact. energy: -0.066
local terms energy: -214.368270
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -45.792
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -70.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -659.552635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.552635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.552635 (E_RNA)
where:
Base-Base interactions energy: -448.391
where: short stacking energy: -200.419
Base-Backbone interact. energy: -1.654
local terms energy: -209.506957
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -41.265
flat angles P-C4'-P energy: -33.832
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -650.529798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.529798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.529798 (E_RNA)
where:
Base-Base interactions energy: -430.013
where: short stacking energy: -200.875
Base-Backbone interact. energy: -0.605
local terms energy: -219.912261
where:
bonds (distance) C4'-P energy: -39.383
bonds (distance) P-C4' energy: -41.532
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -563.216451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.216451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.216451 (E_RNA)
where:
Base-Base interactions energy: -381.601
where: short stacking energy: -171.275
Base-Backbone interact. energy: 4.878
local terms energy: -186.493023
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -49.019
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -474.087328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.087328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.087328 (E_RNA)
where:
Base-Base interactions energy: -304.749
where: short stacking energy: -149.143
Base-Backbone interact. energy: -0.471
local terms energy: -168.866655
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -37.838
flat angles C4'-P-C4' energy: -41.118
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -379.509280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.509280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.509280 (E_RNA)
where:
Base-Base interactions energy: -225.477
where: short stacking energy: -106.100
Base-Backbone interact. energy: 0.344
local terms energy: -154.376651
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -362.174926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.174926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.174926 (E_RNA)
where:
Base-Base interactions energy: -211.107
where: short stacking energy: -111.060
Base-Backbone interact. energy: -2.086
local terms energy: -148.982016
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -34.043
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -15.461
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: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -291.991466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.991466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.991466 (E_RNA)
where:
Base-Base interactions energy: -153.619
where: short stacking energy: -72.774
Base-Backbone interact. energy: -1.768
local terms energy: -136.604446
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -5.363
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -233.739133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.739133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.739133 (E_RNA)
where:
Base-Base interactions energy: -109.091
where: short stacking energy: -70.032
Base-Backbone interact. energy: -2.977
local terms energy: -121.670622
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -762.383123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.383123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.383123 (E_RNA)
where:
Base-Base interactions energy: -509.181
where: short stacking energy: -226.321
Base-Backbone interact. energy: -1.243
local terms energy: -251.959409
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -48.910
flat angles C4'-P-C4' energy: -48.529
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -79.312
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -683.307359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.307359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.307359 (E_RNA)
where:
Base-Base interactions energy: -447.122
where: short stacking energy: -216.760
Base-Backbone interact. energy: -1.105
local terms energy: -235.080726
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -47.159
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -68.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -687.426766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.426766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.426766 (E_RNA)
where:
Base-Base interactions energy: -457.015
where: short stacking energy: -220.793
Base-Backbone interact. energy: -0.673
local terms energy: -229.739076
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -40.618
flat angles C4'-P-C4' energy: -50.802
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -71.020
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: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -641.816879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.816879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.816879 (E_RNA)
where:
Base-Base interactions energy: -421.313
where: short stacking energy: -200.388
Base-Backbone interact. energy: -0.466
local terms energy: -220.037353
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -43.214
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: -59.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -597.864035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.864035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.864035 (E_RNA)
where:
Base-Base interactions energy: -395.977
where: short stacking energy: -181.529
Base-Backbone interact. energy: -0.971
local terms energy: -200.915482
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -51.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -457.707192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.707192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.707192 (E_RNA)
where:
Base-Base interactions energy: -278.561
where: short stacking energy: -136.973
Base-Backbone interact. energy: 0.056
local terms energy: -179.202967
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -34.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -392.417201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.417201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.417201 (E_RNA)
where:
Base-Base interactions energy: -245.407
where: short stacking energy: -134.773
Base-Backbone interact. energy: -0.317
local terms energy: -146.692843
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -325.449085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.449085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.449085 (E_RNA)
where:
Base-Base interactions energy: -178.769
where: short stacking energy: -103.446
Base-Backbone interact. energy: -0.250
local terms energy: -146.429508
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -314.993507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.993507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.993507 (E_RNA)
where:
Base-Base interactions energy: -178.920
where: short stacking energy: -88.257
Base-Backbone interact. energy: 0.920
local terms energy: -136.993416
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -10.985
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: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -167.314848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314848 (E_RNA)
where:
Base-Base interactions energy: -54.665
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.669
local terms energy: -111.981214
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: 7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -747.788304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.788304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.788304 (E_RNA)
where:
Base-Base interactions energy: -501.887
where: short stacking energy: -232.496
Base-Backbone interact. energy: -1.363
local terms energy: -244.537617
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -69.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -703.233141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.233141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.233141 (E_RNA)
where:
Base-Base interactions energy: -466.495
where: short stacking energy: -211.643
Base-Backbone interact. energy: -0.882
local terms energy: -235.855722
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -71.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -686.547841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.547841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.547841 (E_RNA)
where:
Base-Base interactions energy: -457.822
where: short stacking energy: -213.846
Base-Backbone interact. energy: -0.414
local terms energy: -228.311786
where:
bonds (distance) C4'-P energy: -36.918
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -34.651
tors. eta vs tors. theta energy: -69.577
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: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -618.869990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.869990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.869990 (E_RNA)
where:
Base-Base interactions energy: -406.733
where: short stacking energy: -185.480
Base-Backbone interact. energy: 0.408
local terms energy: -212.545041
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -57.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -566.583025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.583025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.583025 (E_RNA)
where:
Base-Base interactions energy: -359.333
where: short stacking energy: -183.412
Base-Backbone interact. energy: -0.428
local terms energy: -206.822600
where:
bonds (distance) C4'-P energy: -36.990
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -41.912
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -461.601819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.601819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.601819 (E_RNA)
where:
Base-Base interactions energy: -287.671
where: short stacking energy: -151.095
Base-Backbone interact. energy: 3.471
local terms energy: -177.402093
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -39.083
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: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -348.391573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.391573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.391573 (E_RNA)
where:
Base-Base interactions energy: -193.984
where: short stacking energy: -93.184
Base-Backbone interact. energy: -0.389
local terms energy: -154.018757
where:
bonds (distance) C4'-P energy: -41.670
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -341.095050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.095050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.095050 (E_RNA)
where:
Base-Base interactions energy: -207.415
where: short stacking energy: -115.230
Base-Backbone interact. energy: 2.451
local terms energy: -136.131206
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -19.773
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -329.075897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.075897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.075897 (E_RNA)
where:
Base-Base interactions energy: -190.395
where: short stacking energy: -96.114
Base-Backbone interact. energy: 0.966
local terms energy: -139.646040
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -40.611
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -190.284799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284799 (E_RNA)
where:
Base-Base interactions energy: -61.926
where: short stacking energy: -50.413
Base-Backbone interact. energy: -0.376
local terms energy: -127.982775
where:
bonds (distance) C4'-P energy: -39.314
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -749.990314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.990314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.990314 (E_RNA)
where:
Base-Base interactions energy: -495.074
where: short stacking energy: -223.206
Base-Backbone interact. energy: -0.438
local terms energy: -254.477891
where:
bonds (distance) C4'-P energy: -44.326
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -49.924
flat angles P-C4'-P energy: -38.804
tors. eta vs tors. theta energy: -75.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -705.243993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.243993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.243993 (E_RNA)
where:
Base-Base interactions energy: -484.934
where: short stacking energy: -226.561
Base-Backbone interact. energy: -0.350
local terms energy: -219.960163
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -76.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -686.707962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.707962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.707962 (E_RNA)
where:
Base-Base interactions energy: -464.818
where: short stacking energy: -215.585
Base-Backbone interact. energy: -0.530
local terms energy: -221.359773
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -43.659
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -70.406
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: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -592.150612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.150612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.150612 (E_RNA)
where:
Base-Base interactions energy: -392.528
where: short stacking energy: -184.298
Base-Backbone interact. energy: -1.249
local terms energy: -198.373853
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -55.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -601.621731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.621731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.621731 (E_RNA)
where:
Base-Base interactions energy: -405.144
where: short stacking energy: -190.579
Base-Backbone interact. energy: -0.509
local terms energy: -195.967901
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -45.553
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -58.516
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: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -440.386754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.386754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.386754 (E_RNA)
where:
Base-Base interactions energy: -271.666
where: short stacking energy: -124.723
Base-Backbone interact. energy: -2.153
local terms energy: -166.568499
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -42.328
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -30.883
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: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -375.489734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.489734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.489734 (E_RNA)
where:
Base-Base interactions energy: -220.850
where: short stacking energy: -101.464
Base-Backbone interact. energy: -0.430
local terms energy: -154.209373
where:
bonds (distance) C4'-P energy: -37.330
bonds (distance) P-C4' energy: -35.176
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -346.173461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.173461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.173461 (E_RNA)
where:
Base-Base interactions energy: -212.742
where: short stacking energy: -105.614
Base-Backbone interact. energy: -1.003
local terms energy: -132.428446
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -364.085062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.085062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.085062 (E_RNA)
where:
Base-Base interactions energy: -221.287
where: short stacking energy: -93.598
Base-Backbone interact. energy: -0.636
local terms energy: -142.162401
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -172.590988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590988 (E_RNA)
where:
Base-Base interactions energy: -59.800
where: short stacking energy: -59.275
Base-Backbone interact. energy: 1.741
local terms energy: -114.532307
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -755.523796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.523796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.523796 (E_RNA)
where:
Base-Base interactions energy: -520.959
where: short stacking energy: -240.403
Base-Backbone interact. energy: -0.839
local terms energy: -233.725150
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -42.800
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -70.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -700.179389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.179389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.179389 (E_RNA)
where:
Base-Base interactions energy: -457.246
where: short stacking energy: -211.757
Base-Backbone interact. energy: -0.034
local terms energy: -242.899895
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -72.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -673.887130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.887130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.887130 (E_RNA)
where:
Base-Base interactions energy: -458.291
where: short stacking energy: -200.734
Base-Backbone interact. energy: -0.953
local terms energy: -214.643304
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -28.199
tors. eta vs tors. theta energy: -67.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -620.367285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.367285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.367285 (E_RNA)
where:
Base-Base interactions energy: -406.693
where: short stacking energy: -200.508
Base-Backbone interact. energy: -0.241
local terms energy: -213.433471
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -46.980
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -62.715
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: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -581.375423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.375423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.375423 (E_RNA)
where:
Base-Base interactions energy: -382.677
where: short stacking energy: -170.397
Base-Backbone interact. energy: -0.366
local terms energy: -198.332464
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -43.014
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -54.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -464.035127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.035127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.035127 (E_RNA)
where:
Base-Base interactions energy: -293.044
where: short stacking energy: -140.698
Base-Backbone interact. energy: -1.390
local terms energy: -169.601235
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -43.689
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -340.319339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.319339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.319339 (E_RNA)
where:
Base-Base interactions energy: -197.071
where: short stacking energy: -103.845
Base-Backbone interact. energy: -1.727
local terms energy: -141.521490
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -347.330045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.330045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.330045 (E_RNA)
where:
Base-Base interactions energy: -207.586
where: short stacking energy: -88.722
Base-Backbone interact. energy: -0.734
local terms energy: -139.010077
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -27.157
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -345.741249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.741249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.741249 (E_RNA)
where:
Base-Base interactions energy: -218.601
where: short stacking energy: -114.245
Base-Backbone interact. energy: -0.014
local terms energy: -127.126922
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -183.896019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.896019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.896019 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -55.766
Base-Backbone interact. energy: 0.681
local terms energy: -101.235001
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: 10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -743.320782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.320782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.320782 (E_RNA)
where:
Base-Base interactions energy: -510.160
where: short stacking energy: -230.748
Base-Backbone interact. energy: -0.530
local terms energy: -232.630605
where:
bonds (distance) C4'-P energy: -40.364
bonds (distance) P-C4' energy: -39.035
flat angles C4'-P-C4' energy: -46.641
flat angles P-C4'-P energy: -35.321
tors. eta vs tors. theta energy: -71.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -702.283659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.283659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.283659 (E_RNA)
where:
Base-Base interactions energy: -459.852
where: short stacking energy: -207.748
Base-Backbone interact. energy: -1.484
local terms energy: -240.947409
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -47.163
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -72.141
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -679.495527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.495527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.495527 (E_RNA)
where:
Base-Base interactions energy: -457.924
where: short stacking energy: -209.336
Base-Backbone interact. energy: 0.518
local terms energy: -222.089240
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: -69.784
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: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -604.955182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.955182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.955182 (E_RNA)
where:
Base-Base interactions energy: -387.003
where: short stacking energy: -180.940
Base-Backbone interact. energy: -0.703
local terms energy: -217.249860
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -61.383
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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -605.211019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.211019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.211019 (E_RNA)
where:
Base-Base interactions energy: -393.202
where: short stacking energy: -184.434
Base-Backbone interact. energy: -0.150
local terms energy: -211.859635
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -44.287
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -61.821
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: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -456.554777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.554777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.554777 (E_RNA)
where:
Base-Base interactions energy: -278.852
where: short stacking energy: -119.335
Base-Backbone interact. energy: 0.120
local terms energy: -177.822498
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -360.047763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.047763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.047763 (E_RNA)
where:
Base-Base interactions energy: -198.487
where: short stacking energy: -113.504
Base-Backbone interact. energy: -0.219
local terms energy: -161.341053
where:
bonds (distance) C4'-P energy: -36.862
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -382.514520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.514520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.514520 (E_RNA)
where:
Base-Base interactions energy: -220.992
where: short stacking energy: -100.932
Base-Backbone interact. energy: -0.637
local terms energy: -160.885355
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -35.049
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -344.418039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.418039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.418039 (E_RNA)
where:
Base-Base interactions energy: -187.541
where: short stacking energy: -105.054
Base-Backbone interact. energy: -0.838
local terms energy: -156.039028
where:
bonds (distance) C4'-P energy: -36.000
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -179.746933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746933 (E_RNA)
where:
Base-Base interactions energy: -48.690
where: short stacking energy: -43.950
Base-Backbone interact. energy: -1.022
local terms energy: -130.035067
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: 5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -739.720003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.720003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.720003 (E_RNA)
where:
Base-Base interactions energy: -515.548
where: short stacking energy: -222.457
Base-Backbone interact. energy: 0.173
local terms energy: -224.344345
where:
bonds (distance) C4'-P energy: -45.299
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -64.819
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: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -694.716674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.716674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.716674 (E_RNA)
where:
Base-Base interactions energy: -461.944
where: short stacking energy: -202.141
Base-Backbone interact. energy: 0.630
local terms energy: -233.403419
where:
bonds (distance) C4'-P energy: -43.574
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -42.725
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -67.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -699.331656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.331656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.331656 (E_RNA)
where:
Base-Base interactions energy: -462.877
where: short stacking energy: -203.976
Base-Backbone interact. energy: -0.734
local terms energy: -235.721221
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -70.515
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: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -609.404935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.404935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.404935 (E_RNA)
where:
Base-Base interactions energy: -403.365
where: short stacking energy: -177.765
Base-Backbone interact. energy: -0.515
local terms energy: -205.524067
where:
bonds (distance) C4'-P energy: -44.097
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -42.381
flat angles P-C4'-P energy: -30.241
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -598.560501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.560501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.560501 (E_RNA)
where:
Base-Base interactions energy: -392.936
where: short stacking energy: -177.754
Base-Backbone interact. energy: -0.468
local terms energy: -205.156378
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -43.698
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -53.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -509.307101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.307101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.307101 (E_RNA)
where:
Base-Base interactions energy: -329.884
where: short stacking energy: -161.064
Base-Backbone interact. energy: 1.218
local terms energy: -180.641227
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -37.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -367.329043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.329043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.329043 (E_RNA)
where:
Base-Base interactions energy: -211.907
where: short stacking energy: -107.894
Base-Backbone interact. energy: -0.644
local terms energy: -154.777976
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -355.253568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.253568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.253568 (E_RNA)
where:
Base-Base interactions energy: -209.821
where: short stacking energy: -106.037
Base-Backbone interact. energy: -0.263
local terms energy: -145.169538
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -323.647274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.647274 (E_RNA)
where:
Base-Base interactions energy: -182.953
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.160
local terms energy: -140.534630
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -10.419
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: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -181.682214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.682214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.682214 (E_RNA)
where:
Base-Base interactions energy: -62.485
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.305
local terms energy: -118.892748
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -40.598
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -722.604641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.604641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.604641 (E_RNA)
where:
Base-Base interactions energy: -491.852
where: short stacking energy: -219.746
Base-Backbone interact. energy: -1.864
local terms energy: -228.888053
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -45.592
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -703.754690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.754690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.754690 (E_RNA)
where:
Base-Base interactions energy: -475.006
where: short stacking energy: -224.890
Base-Backbone interact. energy: -0.144
local terms energy: -228.604453
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -41.983
flat angles C4'-P-C4' energy: -49.130
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -68.816
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -691.312344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.312344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.312344 (E_RNA)
where:
Base-Base interactions energy: -461.993
where: short stacking energy: -215.869
Base-Backbone interact. energy: -0.737
local terms energy: -228.582504
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -70.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -587.494814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.494814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.494814 (E_RNA)
where:
Base-Base interactions energy: -384.615
where: short stacking energy: -178.039
Base-Backbone interact. energy: -0.605
local terms energy: -202.274717
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -53.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -569.001186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.001186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.001186 (E_RNA)
where:
Base-Base interactions energy: -365.841
where: short stacking energy: -165.576
Base-Backbone interact. energy: 1.013
local terms energy: -204.173886
where:
bonds (distance) C4'-P energy: -40.264
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -42.960
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -46.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -468.099577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.099577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.099577 (E_RNA)
where:
Base-Base interactions energy: -303.346
where: short stacking energy: -147.388
Base-Backbone interact. energy: 1.298
local terms energy: -166.051605
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -31.021
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -403.465023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.465023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.465023 (E_RNA)
where:
Base-Base interactions energy: -250.284
where: short stacking energy: -99.608
Base-Backbone interact. energy: 0.987
local terms energy: -154.168444
where:
bonds (distance) C4'-P energy: -38.343
bonds (distance) P-C4' energy: -44.756
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -401.269848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.269848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.269848 (E_RNA)
where:
Base-Base interactions energy: -236.111
where: short stacking energy: -125.620
Base-Backbone interact. energy: -0.309
local terms energy: -164.850151
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -26.501
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: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -358.943170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.943170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.943170 (E_RNA)
where:
Base-Base interactions energy: -229.790
where: short stacking energy: -90.284
Base-Backbone interact. energy: -0.068
local terms energy: -129.085266
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -10.333
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: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -190.258130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.258130 (E_RNA)
where:
Base-Base interactions energy: -65.813
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.906
local terms energy: -123.539093
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -44.417
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: 3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -701.657991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.657991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.657991 (E_RNA)
where:
Base-Base interactions energy: -466.502
where: short stacking energy: -213.486
Base-Backbone interact. energy: -0.515
local terms energy: -234.641091
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -68.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -732.273436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.273436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.273436 (E_RNA)
where:
Base-Base interactions energy: -501.762
where: short stacking energy: -214.885
Base-Backbone interact. energy: -1.917
local terms energy: -228.593788
where:
bonds (distance) C4'-P energy: -43.466
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -34.342
tors. eta vs tors. theta energy: -67.685
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -668.657347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.657347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.657347 (E_RNA)
where:
Base-Base interactions energy: -451.230
where: short stacking energy: -202.040
Base-Backbone interact. energy: -0.398
local terms energy: -217.029221
where:
bonds (distance) C4'-P energy: -37.505
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -40.733
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -71.303
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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -591.673818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.673818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.673818 (E_RNA)
where:
Base-Base interactions energy: -384.151
where: short stacking energy: -185.431
Base-Backbone interact. energy: 1.685
local terms energy: -209.207488
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -50.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -575.161860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.161860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.161860 (E_RNA)
where:
Base-Base interactions energy: -381.869
where: short stacking energy: -161.058
Base-Backbone interact. energy: -0.196
local terms energy: -193.097447
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -40.856
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -29.153
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: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -477.336235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.336235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.336235 (E_RNA)
where:
Base-Base interactions energy: -287.515
where: short stacking energy: -147.297
Base-Backbone interact. energy: -1.125
local terms energy: -188.697062
where:
bonds (distance) C4'-P energy: -38.425
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -42.087
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -428.733310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.733310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.733310 (E_RNA)
where:
Base-Base interactions energy: -269.435
where: short stacking energy: -133.711
Base-Backbone interact. energy: 3.063
local terms energy: -162.361412
where:
bonds (distance) C4'-P energy: -32.669
bonds (distance) P-C4' energy: -46.516
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -376.465073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.465073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.465073 (E_RNA)
where:
Base-Base interactions energy: -230.965
where: short stacking energy: -107.998
Base-Backbone interact. energy: -0.577
local terms energy: -144.922635
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -314.698361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.698361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.698361 (E_RNA)
where:
Base-Base interactions energy: -166.570
where: short stacking energy: -64.205
Base-Backbone interact. energy: -1.625
local terms energy: -146.503425
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -178.835769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.835769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.835769 (E_RNA)
where:
Base-Base interactions energy: -56.802
where: short stacking energy: -44.730
Base-Backbone interact. energy: -1.021
local terms energy: -121.012789
where:
bonds (distance) C4'-P energy: -38.295
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -727.031830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.031830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.031830 (E_RNA)
where:
Base-Base interactions energy: -482.907
where: short stacking energy: -223.768
Base-Backbone interact. energy: -0.284
local terms energy: -243.840246
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -76.428
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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -726.319585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.319585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.319585 (E_RNA)
where:
Base-Base interactions energy: -491.227
where: short stacking energy: -213.736
Base-Backbone interact. energy: -1.243
local terms energy: -233.848990
where:
bonds (distance) C4'-P energy: -43.712
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -64.542
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -676.123217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.123217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.123217 (E_RNA)
where:
Base-Base interactions energy: -452.968
where: short stacking energy: -213.811
Base-Backbone interact. energy: -0.596
local terms energy: -222.559804
where:
bonds (distance) C4'-P energy: -43.731
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -581.832690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.832690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.832690 (E_RNA)
where:
Base-Base interactions energy: -377.920
where: short stacking energy: -162.190
Base-Backbone interact. energy: 0.182
local terms energy: -204.094540
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -44.068
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -49.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -579.916437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.916437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.916437 (E_RNA)
where:
Base-Base interactions energy: -375.019
where: short stacking energy: -164.319
Base-Backbone interact. energy: -1.091
local terms energy: -203.806185
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -44.600
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -47.982
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: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -487.714747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.714747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.714747 (E_RNA)
where:
Base-Base interactions energy: -314.592
where: short stacking energy: -126.974
Base-Backbone interact. energy: -0.999
local terms energy: -172.123887
where:
bonds (distance) C4'-P energy: -40.838
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -453.034856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.034856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.034856 (E_RNA)
where:
Base-Base interactions energy: -292.707
where: short stacking energy: -151.882
Base-Backbone interact. energy: -0.142
local terms energy: -160.186612
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -40.003
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: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -357.519319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.519319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.519319 (E_RNA)
where:
Base-Base interactions energy: -208.925
where: short stacking energy: -115.865
Base-Backbone interact. energy: -1.222
local terms energy: -147.372373
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -369.251835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.251835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.251835 (E_RNA)
where:
Base-Base interactions energy: -214.884
where: short stacking energy: -102.351
Base-Backbone interact. energy: -0.690
local terms energy: -153.678753
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -40.272
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -199.067494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.067494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.067494 (E_RNA)
where:
Base-Base interactions energy: -71.021
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.537
local terms energy: -127.509722
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -733.041117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.041117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.041117 (E_RNA)
where:
Base-Base interactions energy: -507.484
where: short stacking energy: -214.800
Base-Backbone interact. energy: -0.588
local terms energy: -224.969739
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -46.347
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -66.003
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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -699.441738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.441738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.441738 (E_RNA)
where:
Base-Base interactions energy: -474.316
where: short stacking energy: -215.735
Base-Backbone interact. energy: -0.629
local terms energy: -224.496427
where:
bonds (distance) C4'-P energy: -43.373
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -70.968
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: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -683.197852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.197852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.197852 (E_RNA)
where:
Base-Base interactions energy: -455.431
where: short stacking energy: -217.055
Base-Backbone interact. energy: -0.500
local terms energy: -227.266695
where:
bonds (distance) C4'-P energy: -38.760
bonds (distance) P-C4' energy: -41.048
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -74.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -571.511620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.511620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.511620 (E_RNA)
where:
Base-Base interactions energy: -376.323
where: short stacking energy: -177.562
Base-Backbone interact. energy: -1.380
local terms energy: -193.807976
where:
bonds (distance) C4'-P energy: -39.600
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -47.084
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: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -572.025945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.025945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.025945 (E_RNA)
where:
Base-Base interactions energy: -375.984
where: short stacking energy: -171.298
Base-Backbone interact. energy: 1.595
local terms energy: -197.637425
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -41.401
flat angles C4'-P-C4' energy: -41.930
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -51.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -498.412870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.412870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.412870 (E_RNA)
where:
Base-Base interactions energy: -318.409
where: short stacking energy: -160.527
Base-Backbone interact. energy: -0.824
local terms energy: -179.180202
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: -36.269
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: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -413.791776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.791776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.791776 (E_RNA)
where:
Base-Base interactions energy: -258.838
where: short stacking energy: -129.069
Base-Backbone interact. energy: -0.159
local terms energy: -154.794662
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -345.069895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.069895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.069895 (E_RNA)
where:
Base-Base interactions energy: -187.931
where: short stacking energy: -105.166
Base-Backbone interact. energy: 0.696
local terms energy: -157.834813
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -378.546014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.546014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.546014 (E_RNA)
where:
Base-Base interactions energy: -222.718
where: short stacking energy: -108.195
Base-Backbone interact. energy: 0.149
local terms energy: -155.976633
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -194.319753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.319753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.319753 (E_RNA)
where:
Base-Base interactions energy: -74.058
where: short stacking energy: -62.606
Base-Backbone interact. energy: 0.920
local terms energy: -121.182310
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -730.725824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.725824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.725824 (E_RNA)
where:
Base-Base interactions energy: -505.582
where: short stacking energy: -225.818
Base-Backbone interact. energy: -1.181
local terms energy: -223.962797
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -67.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -685.667846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.667846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.667846 (E_RNA)
where:
Base-Base interactions energy: -447.866
where: short stacking energy: -205.271
Base-Backbone interact. energy: -0.096
local terms energy: -237.706000
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -71.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -691.383443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.383443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.383443 (E_RNA)
where:
Base-Base interactions energy: -448.113
where: short stacking energy: -200.711
Base-Backbone interact. energy: -1.140
local terms energy: -242.130735
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -69.631
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -580.235184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.235184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.235184 (E_RNA)
where:
Base-Base interactions energy: -364.078
where: short stacking energy: -163.709
Base-Backbone interact. energy: 0.268
local terms energy: -216.425552
where:
bonds (distance) C4'-P energy: -42.451
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -48.131
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -49.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -553.184170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.184170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.184170 (E_RNA)
where:
Base-Base interactions energy: -357.715
where: short stacking energy: -170.487
Base-Backbone interact. energy: -0.698
local terms energy: -194.771330
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -38.154
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -49.027
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: 223
Temperature: 1.150000
Total energy: -458.702415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.702415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.702415 (E_RNA)
where:
Base-Base interactions energy: -285.579
where: short stacking energy: -126.795
Base-Backbone interact. energy: -1.237
local terms energy: -171.886695
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -36.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -416.427267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.427267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.427267 (E_RNA)
where:
Base-Base interactions energy: -261.162
where: short stacking energy: -127.401
Base-Backbone interact. energy: 4.290
local terms energy: -159.554751
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -24.768
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: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -399.080785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.080785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.080785 (E_RNA)
where:
Base-Base interactions energy: -242.665
where: short stacking energy: -119.862
Base-Backbone interact. energy: 0.108
local terms energy: -156.523969
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -29.452
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -315.935053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.935053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.935053 (E_RNA)
where:
Base-Base interactions energy: -176.069
where: short stacking energy: -82.375
Base-Backbone interact. energy: -1.356
local terms energy: -138.509901
where:
bonds (distance) C4'-P energy: -39.125
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -182.350518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.350518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.350518 (E_RNA)
where:
Base-Base interactions energy: -59.817
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.672
local terms energy: -121.861878
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -41.435
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: 3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -738.846306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.846306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.846306 (E_RNA)
where:
Base-Base interactions energy: -491.916
where: short stacking energy: -214.142
Base-Backbone interact. energy: 0.379
local terms energy: -247.309405
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -45.693
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -72.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -683.049726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.049726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.049726 (E_RNA)
where:
Base-Base interactions energy: -458.464
where: short stacking energy: -209.008
Base-Backbone interact. energy: -0.290
local terms energy: -224.294905
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -71.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -678.009110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.009110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.009110 (E_RNA)
where:
Base-Base interactions energy: -453.590
where: short stacking energy: -211.917
Base-Backbone interact. energy: 1.327
local terms energy: -225.746796
where:
bonds (distance) C4'-P energy: -39.753
bonds (distance) P-C4' energy: -36.345
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -34.962
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: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -597.385560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.385560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.385560 (E_RNA)
where:
Base-Base interactions energy: -375.200
where: short stacking energy: -182.536
Base-Backbone interact. energy: -0.902
local terms energy: -221.283664
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -43.821
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -57.744
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: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -575.472901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.472901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.472901 (E_RNA)
where:
Base-Base interactions energy: -382.417
where: short stacking energy: -187.370
Base-Backbone interact. energy: -0.927
local terms energy: -192.128669
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -488.574633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.574633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.574633 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -149.357
Base-Backbone interact. energy: -1.889
local terms energy: -181.249033
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -42.594
flat angles P-C4'-P energy: -24.444
tors. eta vs tors. theta energy: -40.195
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: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -409.259787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.259787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.259787 (E_RNA)
where:
Base-Base interactions energy: -248.752
where: short stacking energy: -116.018
Base-Backbone interact. energy: -1.756
local terms energy: -158.751995
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -35.829
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -20.614
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -344.789686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.789686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.789686 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -106.491
Base-Backbone interact. energy: 0.268
local terms energy: -165.074580
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -22.638
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: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -313.501867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.501867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.501867 (E_RNA)
where:
Base-Base interactions energy: -179.364
where: short stacking energy: -79.963
Base-Backbone interact. energy: -3.479
local terms energy: -130.659158
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -38.786
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -188.257758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.257758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.257758 (E_RNA)
where:
Base-Base interactions energy: -70.604
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.351
local terms energy: -117.302705
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: 5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -735.304530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.304530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.304530 (E_RNA)
where:
Base-Base interactions energy: -496.364
where: short stacking energy: -214.840
Base-Backbone interact. energy: -1.820
local terms energy: -237.120570
where:
bonds (distance) C4'-P energy: -46.080
bonds (distance) P-C4' energy: -37.954
flat angles C4'-P-C4' energy: -48.988
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -73.702
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -685.782202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.782202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.782202 (E_RNA)
where:
Base-Base interactions energy: -458.912
where: short stacking energy: -214.429
Base-Backbone interact. energy: -0.359
local terms energy: -226.511073
where:
bonds (distance) C4'-P energy: -40.757
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -67.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -689.395158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.395158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.395158 (E_RNA)
where:
Base-Base interactions energy: -457.205
where: short stacking energy: -210.908
Base-Backbone interact. energy: -0.196
local terms energy: -231.994373
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -75.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -594.861308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.861308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.861308 (E_RNA)
where:
Base-Base interactions energy: -382.897
where: short stacking energy: -180.839
Base-Backbone interact. energy: -0.904
local terms energy: -211.060440
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -44.876
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -558.615295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.615295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.615295 (E_RNA)
where:
Base-Base interactions energy: -373.213
where: short stacking energy: -173.631
Base-Backbone interact. energy: 0.960
local terms energy: -186.362132
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -40.063
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -46.746
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: 225
Temperature: 1.150000
Total energy: -448.453636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.453636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.453636 (E_RNA)
where:
Base-Base interactions energy: -286.329
where: short stacking energy: -140.149
Base-Backbone interact. energy: 2.029
local terms energy: -164.153147
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -41.917
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -28.996
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -392.287129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.287129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.287129 (E_RNA)
where:
Base-Base interactions energy: -237.885
where: short stacking energy: -126.157
Base-Backbone interact. energy: 1.482
local terms energy: -155.884053
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -335.098538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.098538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.098538 (E_RNA)
where:
Base-Base interactions energy: -193.603
where: short stacking energy: -105.441
Base-Backbone interact. energy: -1.176
local terms energy: -140.319084
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -40.079
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -344.058272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.058272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.058272 (E_RNA)
where:
Base-Base interactions energy: -216.441
where: short stacking energy: -108.428
Base-Backbone interact. energy: 0.438
local terms energy: -128.054828
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -202.940989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.940989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.940989 (E_RNA)
where:
Base-Base interactions energy: -69.956
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.250
local terms energy: -132.734397
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: 8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -749.281609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.281609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.281609 (E_RNA)
where:
Base-Base interactions energy: -509.809
where: short stacking energy: -226.193
Base-Backbone interact. energy: -1.258
local terms energy: -238.214672
where:
bonds (distance) C4'-P energy: -38.625
bonds (distance) P-C4' energy: -50.429
flat angles C4'-P-C4' energy: -46.054
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -70.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -684.041426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.041426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.041426 (E_RNA)
where:
Base-Base interactions energy: -458.165
where: short stacking energy: -212.533
Base-Backbone interact. energy: -0.379
local terms energy: -225.497311
where:
bonds (distance) C4'-P energy: -30.172
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -72.142
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: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -680.080242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.080242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.080242 (E_RNA)
where:
Base-Base interactions energy: -462.518
where: short stacking energy: -203.440
Base-Backbone interact. energy: -0.453
local terms energy: -217.109022
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -573.263210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.263210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.263210 (E_RNA)
where:
Base-Base interactions energy: -390.651
where: short stacking energy: -166.829
Base-Backbone interact. energy: -1.900
local terms energy: -180.712179
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -555.836611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.836611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.836611 (E_RNA)
where:
Base-Base interactions energy: -357.846
where: short stacking energy: -174.437
Base-Backbone interact. energy: -0.263
local terms energy: -197.728245
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -41.820
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -480.346748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.346748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.346748 (E_RNA)
where:
Base-Base interactions energy: -310.732
where: short stacking energy: -145.081
Base-Backbone interact. energy: -1.025
local terms energy: -168.590019
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -32.772
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -411.069667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.069667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.069667 (E_RNA)
where:
Base-Base interactions energy: -268.005
where: short stacking energy: -118.969
Base-Backbone interact. energy: 0.049
local terms energy: -143.113957
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -19.480
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: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -349.045311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.045311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.045311 (E_RNA)
where:
Base-Base interactions energy: -199.689
where: short stacking energy: -90.702
Base-Backbone interact. energy: 0.279
local terms energy: -149.634484
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -331.639292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.639292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.639292 (E_RNA)
where:
Base-Base interactions energy: -193.739
where: short stacking energy: -100.276
Base-Backbone interact. energy: -0.767
local terms energy: -137.133374
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -184.754144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.754144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.754144 (E_RNA)
where:
Base-Base interactions energy: -62.278
where: short stacking energy: -55.513
Base-Backbone interact. energy: -0.770
local terms energy: -121.706775
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -39.742
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -0.518
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: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -737.127451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.127451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.127451 (E_RNA)
where:
Base-Base interactions energy: -500.657
where: short stacking energy: -227.642
Base-Backbone interact. energy: -0.009
local terms energy: -236.461884
where:
bonds (distance) C4'-P energy: -40.885
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -47.991
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -697.757170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.757170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.757170 (E_RNA)
where:
Base-Base interactions energy: -463.482
where: short stacking energy: -226.117
Base-Backbone interact. energy: -0.309
local terms energy: -233.965952
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -48.442
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -74.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -656.146244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.146244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.146244 (E_RNA)
where:
Base-Base interactions energy: -436.941
where: short stacking energy: -185.546
Base-Backbone interact. energy: 0.006
local terms energy: -219.211592
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -43.509
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -63.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -586.406917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.406917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.406917 (E_RNA)
where:
Base-Base interactions energy: -401.009
where: short stacking energy: -180.603
Base-Backbone interact. energy: -0.331
local terms energy: -185.067066
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -32.609
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: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -542.894436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.894436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.894436 (E_RNA)
where:
Base-Base interactions energy: -363.975
where: short stacking energy: -160.148
Base-Backbone interact. energy: -0.406
local terms energy: -178.514053
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -26.705
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: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -538.149223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.149223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.149223 (E_RNA)
where:
Base-Base interactions energy: -355.490
where: short stacking energy: -155.449
Base-Backbone interact. energy: -1.945
local terms energy: -180.713782
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -43.867
flat angles C4'-P-C4' energy: -43.240
flat angles P-C4'-P energy: -27.799
tors. eta vs tors. theta energy: -38.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -443.714592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.714592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.714592 (E_RNA)
where:
Base-Base interactions energy: -278.117
where: short stacking energy: -130.014
Base-Backbone interact. energy: -0.487
local terms energy: -165.110753
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -384.337599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.337599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.337599 (E_RNA)
where:
Base-Base interactions energy: -222.959
where: short stacking energy: -100.679
Base-Backbone interact. energy: -0.589
local terms energy: -160.789205
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -45.403
flat angles C4'-P-C4' energy: -40.409
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -23.365
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: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -394.458775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.458775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.458775 (E_RNA)
where:
Base-Base interactions energy: -241.618
where: short stacking energy: -113.938
Base-Backbone interact. energy: -0.414
local terms energy: -152.426531
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -22.553
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: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -196.572802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.572802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.572802 (E_RNA)
where:
Base-Base interactions energy: -79.283
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.446
local terms energy: -116.844293
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -4.474
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -746.757587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.757587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.757587 (E_RNA)
where:
Base-Base interactions energy: -509.831
where: short stacking energy: -219.775
Base-Backbone interact. energy: 1.817
local terms energy: -238.743178
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -52.851
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -68.491
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: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -692.273511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.273511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.273511 (E_RNA)
where:
Base-Base interactions energy: -459.315
where: short stacking energy: -215.758
Base-Backbone interact. energy: -0.205
local terms energy: -232.753736
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -70.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -659.393026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.393026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.393026 (E_RNA)
where:
Base-Base interactions energy: -436.794
where: short stacking energy: -201.368
Base-Backbone interact. energy: -0.676
local terms energy: -221.923371
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -42.766
flat angles C4'-P-C4' energy: -46.336
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -60.506
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: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -597.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.422899 (E_RNA)
where:
Base-Base interactions energy: -401.493
where: short stacking energy: -178.124
Base-Backbone interact. energy: -1.126
local terms energy: -194.804466
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -35.775
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -49.369
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: 228
Temperature: 1.100000
Total energy: -554.589181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.589181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.589181 (E_RNA)
where:
Base-Base interactions energy: -380.841
where: short stacking energy: -166.442
Base-Backbone interact. energy: -0.910
local terms energy: -172.838816
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -37.234
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -517.011379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.011379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.011379 (E_RNA)
where:
Base-Base interactions energy: -317.483
where: short stacking energy: -133.461
Base-Backbone interact. energy: -0.536
local terms energy: -198.992093
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -46.194
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: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -406.726808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.726808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.726808 (E_RNA)
where:
Base-Base interactions energy: -253.012
where: short stacking energy: -133.722
Base-Backbone interact. energy: 2.603
local terms energy: -156.317492
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -38.005
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -349.805205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.805205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.805205 (E_RNA)
where:
Base-Base interactions energy: -202.643
where: short stacking energy: -96.175
Base-Backbone interact. energy: -0.395
local terms energy: -146.767005
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -368.031788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.031788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.031788 (E_RNA)
where:
Base-Base interactions energy: -219.870
where: short stacking energy: -92.322
Base-Backbone interact. energy: -0.096
local terms energy: -148.065861
where:
bonds (distance) C4'-P energy: -32.175
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -10.436
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: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -181.941667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.941667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.941667 (E_RNA)
where:
Base-Base interactions energy: -79.765
where: short stacking energy: -43.536
Base-Backbone interact. energy: -0.590
local terms energy: -101.587328
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -743.105536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.105536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.105536 (E_RNA)
where:
Base-Base interactions energy: -505.417
where: short stacking energy: -227.662
Base-Backbone interact. energy: -0.049
local terms energy: -237.639855
where:
bonds (distance) C4'-P energy: -41.245
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -67.624
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: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -714.825643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.825643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.825643 (E_RNA)
where:
Base-Base interactions energy: -477.685
where: short stacking energy: -217.312
Base-Backbone interact. energy: -0.485
local terms energy: -236.655317
where:
bonds (distance) C4'-P energy: -43.779
bonds (distance) P-C4' energy: -45.841
flat angles C4'-P-C4' energy: -45.953
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -70.443
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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -640.814554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.814554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.814554 (E_RNA)
where:
Base-Base interactions energy: -417.228
where: short stacking energy: -190.590
Base-Backbone interact. energy: -0.704
local terms energy: -222.883342
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -58.368
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -579.922246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.922246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.922246 (E_RNA)
where:
Base-Base interactions energy: -384.966
where: short stacking energy: -152.603
Base-Backbone interact. energy: 1.668
local terms energy: -196.623761
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -42.574
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -42.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -560.168875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.168875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.168875 (E_RNA)
where:
Base-Base interactions energy: -368.215
where: short stacking energy: -173.220
Base-Backbone interact. energy: -0.372
local terms energy: -191.581705
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -42.237
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -45.551
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: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -529.054977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.054977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.054977 (E_RNA)
where:
Base-Base interactions energy: -338.557
where: short stacking energy: -158.491
Base-Backbone interact. energy: -0.223
local terms energy: -190.275123
where:
bonds (distance) C4'-P energy: -34.037
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -49.067
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: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -417.560639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.560639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.560639 (E_RNA)
where:
Base-Base interactions energy: -264.658
where: short stacking energy: -125.587
Base-Backbone interact. energy: -0.660
local terms energy: -152.243033
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -29.364
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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -413.905091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.905091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.905091 (E_RNA)
where:
Base-Base interactions energy: -237.736
where: short stacking energy: -115.738
Base-Backbone interact. energy: -1.086
local terms energy: -175.083924
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -40.022
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -27.948
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: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -353.317251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.317251 (E_RNA)
where:
Base-Base interactions energy: -194.618
where: short stacking energy: -93.893
Base-Backbone interact. energy: -0.350
local terms energy: -158.349438
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -194.283064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.283064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.283064 (E_RNA)
where:
Base-Base interactions energy: -80.322
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.926
local terms energy: -113.035565
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -720.746508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.746508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.746508 (E_RNA)
where:
Base-Base interactions energy: -480.238
where: short stacking energy: -224.061
Base-Backbone interact. energy: -0.616
local terms energy: -239.892479
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -70.290
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: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -727.490979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.490979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.490979 (E_RNA)
where:
Base-Base interactions energy: -489.730
where: short stacking energy: -219.573
Base-Backbone interact. energy: 2.002
local terms energy: -239.763719
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -72.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -647.114067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.114067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.114067 (E_RNA)
where:
Base-Base interactions energy: -429.309
where: short stacking energy: -195.414
Base-Backbone interact. energy: -0.568
local terms energy: -217.237254
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -59.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -581.758831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.758831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.758831 (E_RNA)
where:
Base-Base interactions energy: -401.041
where: short stacking energy: -167.812
Base-Backbone interact. energy: -0.671
local terms energy: -180.047264
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -44.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -572.760365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.760365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.760365 (E_RNA)
where:
Base-Base interactions energy: -363.480
where: short stacking energy: -175.976
Base-Backbone interact. energy: -1.489
local terms energy: -207.792188
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -51.538
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -510.065281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.065281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.065281 (E_RNA)
where:
Base-Base interactions energy: -318.775
where: short stacking energy: -156.388
Base-Backbone interact. energy: 0.662
local terms energy: -191.952965
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -39.262
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: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -421.601677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.601677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.601677 (E_RNA)
where:
Base-Base interactions energy: -262.969
where: short stacking energy: -134.078
Base-Backbone interact. energy: 0.801
local terms energy: -159.433911
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -41.462
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -29.181
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -386.391205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.391205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.391205 (E_RNA)
where:
Base-Base interactions energy: -230.379
where: short stacking energy: -104.526
Base-Backbone interact. energy: -0.883
local terms energy: -155.129305
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -338.022122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.022122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.022122 (E_RNA)
where:
Base-Base interactions energy: -190.974
where: short stacking energy: -98.736
Base-Backbone interact. energy: -0.621
local terms energy: -146.427482
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -202.585171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.585171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.585171 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -44.883
Base-Backbone interact. energy: -1.739
local terms energy: -110.489156
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: 12.282
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: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -708.728257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.728257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.728257 (E_RNA)
where:
Base-Base interactions energy: -466.080
where: short stacking energy: -218.586
Base-Backbone interact. energy: -0.300
local terms energy: -242.348712
where:
bonds (distance) C4'-P energy: -47.747
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -49.501
flat angles P-C4'-P energy: -31.314
tors. eta vs tors. theta energy: -69.808
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: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -729.000554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.000554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.000554 (E_RNA)
where:
Base-Base interactions energy: -490.488
where: short stacking energy: -224.685
Base-Backbone interact. energy: -0.424
local terms energy: -238.089052
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -39.173
flat angles C4'-P-C4' energy: -50.380
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -74.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -653.927114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.927114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.927114 (E_RNA)
where:
Base-Base interactions energy: -425.537
where: short stacking energy: -193.126
Base-Backbone interact. energy: 1.428
local terms energy: -229.817900
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -46.242
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -64.990
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: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -582.558609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.558609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.558609 (E_RNA)
where:
Base-Base interactions energy: -381.812
where: short stacking energy: -173.418
Base-Backbone interact. energy: -0.679
local terms energy: -200.067586
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -33.286
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -548.076104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.076104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.076104 (E_RNA)
where:
Base-Base interactions energy: -376.309
where: short stacking energy: -173.893
Base-Backbone interact. energy: -0.247
local terms energy: -171.520045
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -33.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -492.047726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.047726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.047726 (E_RNA)
where:
Base-Base interactions energy: -303.566
where: short stacking energy: -150.295
Base-Backbone interact. energy: -1.275
local terms energy: -187.206565
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -422.427897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.427897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.427897 (E_RNA)
where:
Base-Base interactions energy: -267.567
where: short stacking energy: -109.789
Base-Backbone interact. energy: -1.000
local terms energy: -153.860845
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -43.224
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -388.938561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.938561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.938561 (E_RNA)
where:
Base-Base interactions energy: -239.894
where: short stacking energy: -114.715
Base-Backbone interact. energy: -0.634
local terms energy: -148.410841
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -35.598
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -348.465847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.465847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.465847 (E_RNA)
where:
Base-Base interactions energy: -225.049
where: short stacking energy: -107.113
Base-Backbone interact. energy: -2.134
local terms energy: -121.282512
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -199.190734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.190734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.190734 (E_RNA)
where:
Base-Base interactions energy: -72.505
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.457
local terms energy: -126.228339
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -744.201548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.201548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.201548 (E_RNA)
where:
Base-Base interactions energy: -509.766
where: short stacking energy: -229.601
Base-Backbone interact. energy: -0.057
local terms energy: -234.378922
where:
bonds (distance) C4'-P energy: -38.295
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -48.304
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -70.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -693.223295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.223295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.223295 (E_RNA)
where:
Base-Base interactions energy: -470.365
where: short stacking energy: -221.239
Base-Backbone interact. energy: -0.221
local terms energy: -222.637301
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -44.957
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -69.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -655.746242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.746242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.746242 (E_RNA)
where:
Base-Base interactions energy: -420.542
where: short stacking energy: -194.245
Base-Backbone interact. energy: -1.046
local terms energy: -234.158681
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -47.649
flat angles C4'-P-C4' energy: -48.590
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -66.004
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: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -601.270535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.270535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.270535 (E_RNA)
where:
Base-Base interactions energy: -373.766
where: short stacking energy: -181.730
Base-Backbone interact. energy: -1.918
local terms energy: -225.587341
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -532.475962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.475962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.475962 (E_RNA)
where:
Base-Base interactions energy: -357.098
where: short stacking energy: -157.455
Base-Backbone interact. energy: 0.811
local terms energy: -176.188852
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -39.070
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -468.128996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.128996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.128996 (E_RNA)
where:
Base-Base interactions energy: -287.412
where: short stacking energy: -135.446
Base-Backbone interact. energy: -0.574
local terms energy: -180.143359
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -40.543
flat angles C4'-P-C4' energy: -40.618
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -422.489847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.489847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.489847 (E_RNA)
where:
Base-Base interactions energy: -247.737
where: short stacking energy: -123.091
Base-Backbone interact. energy: -1.094
local terms energy: -173.658608
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -30.614
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: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -388.485882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.485882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.485882 (E_RNA)
where:
Base-Base interactions energy: -247.455
where: short stacking energy: -112.054
Base-Backbone interact. energy: 1.411
local terms energy: -142.441567
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -356.316441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.316441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.316441 (E_RNA)
where:
Base-Base interactions energy: -230.191
where: short stacking energy: -102.482
Base-Backbone interact. energy: 1.696
local terms energy: -127.821365
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -181.478123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.478123 (E_RNA)
where:
Base-Base interactions energy: -51.894
where: short stacking energy: -42.418
Base-Backbone interact. energy: -0.539
local terms energy: -129.045103
where:
bonds (distance) C4'-P energy: -41.168
bonds (distance) P-C4' energy: -36.081
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: 6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -740.666383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.666383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.666383 (E_RNA)
where:
Base-Base interactions energy: -497.149
where: short stacking energy: -222.000
Base-Backbone interact. energy: -1.930
local terms energy: -241.587679
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -43.520
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -73.137
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: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -687.206698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.206698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.206698 (E_RNA)
where:
Base-Base interactions energy: -462.549
where: short stacking energy: -213.317
Base-Backbone interact. energy: -0.024
local terms energy: -224.633598
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: -68.717
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: 233
Temperature: 1.000000
Total energy: -649.466113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.466113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.466113 (E_RNA)
where:
Base-Base interactions energy: -433.285
where: short stacking energy: -206.609
Base-Backbone interact. energy: -0.055
local terms energy: -216.125764
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -44.274
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -61.169
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: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -595.670050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.670050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.670050 (E_RNA)
where:
Base-Base interactions energy: -396.098
where: short stacking energy: -191.779
Base-Backbone interact. energy: -0.361
local terms energy: -199.210412
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: -58.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -534.256332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.256332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.256332 (E_RNA)
where:
Base-Base interactions energy: -355.908
where: short stacking energy: -156.836
Base-Backbone interact. energy: 2.235
local terms energy: -180.583584
where:
bonds (distance) C4'-P energy: -37.721
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -44.321
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: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -491.058492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.058492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.058492 (E_RNA)
where:
Base-Base interactions energy: -306.052
where: short stacking energy: -146.682
Base-Backbone interact. energy: -1.061
local terms energy: -183.945256
where:
bonds (distance) C4'-P energy: -42.478
bonds (distance) P-C4' energy: -42.048
flat angles C4'-P-C4' energy: -41.725
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -417.581791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.581791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.581791 (E_RNA)
where:
Base-Base interactions energy: -258.132
where: short stacking energy: -120.797
Base-Backbone interact. energy: 0.326
local terms energy: -159.775136
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -42.664
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -415.838364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.838364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.838364 (E_RNA)
where:
Base-Base interactions energy: -251.997
where: short stacking energy: -116.112
Base-Backbone interact. energy: -0.900
local terms energy: -162.941510
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -317.718280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.718280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.718280 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -98.375
Base-Backbone interact. energy: -0.683
local terms energy: -137.909544
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -47.448
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -189.914629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.914629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.914629 (E_RNA)
where:
Base-Base interactions energy: -55.755
where: short stacking energy: -52.809
Base-Backbone interact. energy: 1.760
local terms energy: -135.920251
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: 5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -738.013739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.013739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.013739 (E_RNA)
where:
Base-Base interactions energy: -499.399
where: short stacking energy: -220.861
Base-Backbone interact. energy: 0.204
local terms energy: -238.818779
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -39.674
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: -77.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -701.601162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.601162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.601162 (E_RNA)
where:
Base-Base interactions energy: -471.692
where: short stacking energy: -220.327
Base-Backbone interact. energy: -0.433
local terms energy: -229.476646
where:
bonds (distance) C4'-P energy: -40.052
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -72.516
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -614.607600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.607600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.607600 (E_RNA)
where:
Base-Base interactions energy: -403.377
where: short stacking energy: -186.553
Base-Backbone interact. energy: -0.616
local terms energy: -210.614974
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -61.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -635.791853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.791853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.791853 (E_RNA)
where:
Base-Base interactions energy: -416.260
where: short stacking energy: -199.158
Base-Backbone interact. energy: -0.969
local terms energy: -218.562954
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -45.802
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -62.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -548.682407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.682407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.682407 (E_RNA)
where:
Base-Base interactions energy: -352.063
where: short stacking energy: -155.723
Base-Backbone interact. energy: -0.565
local terms energy: -196.054388
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -45.912
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -31.903
tors. eta vs tors. theta energy: -41.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -509.858201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.858201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.858201 (E_RNA)
where:
Base-Base interactions energy: -329.619
where: short stacking energy: -168.780
Base-Backbone interact. energy: -0.293
local terms energy: -179.946296
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -41.663
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -415.173672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.173672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.173672 (E_RNA)
where:
Base-Base interactions energy: -270.781
where: short stacking energy: -118.872
Base-Backbone interact. energy: 0.550
local terms energy: -144.943182
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -388.954731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.954731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.954731 (E_RNA)
where:
Base-Base interactions energy: -236.810
where: short stacking energy: -117.390
Base-Backbone interact. energy: 0.019
local terms energy: -152.163594
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -27.487
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: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -335.867218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.867218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.867218 (E_RNA)
where:
Base-Base interactions energy: -192.674
where: short stacking energy: -95.047
Base-Backbone interact. energy: -0.989
local terms energy: -142.205121
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -179.832634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.832634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.832634 (E_RNA)
where:
Base-Base interactions energy: -53.976
where: short stacking energy: -44.759
Base-Backbone interact. energy: 4.627
local terms energy: -130.484080
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -38.114
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -725.163731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.163731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.163731 (E_RNA)
where:
Base-Base interactions energy: -499.338
where: short stacking energy: -211.156
Base-Backbone interact. energy: -0.621
local terms energy: -225.204449
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: -63.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -698.029244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.029244 (E_RNA)
where:
Base-Base interactions energy: -468.555
where: short stacking energy: -201.204
Base-Backbone interact. energy: -0.178
local terms energy: -229.296460
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -47.130
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -64.989
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: 235
Temperature: 1.000000
Total energy: -629.319077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.319077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.319077 (E_RNA)
where:
Base-Base interactions energy: -411.355
where: short stacking energy: -183.963
Base-Backbone interact. energy: -0.124
local terms energy: -217.839539
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -57.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -636.837913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.837913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.837913 (E_RNA)
where:
Base-Base interactions energy: -407.616
where: short stacking energy: -194.400
Base-Backbone interact. energy: -0.906
local terms energy: -228.315993
where:
bonds (distance) C4'-P energy: -43.164
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -59.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -579.690001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.690001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.690001 (E_RNA)
where:
Base-Base interactions energy: -381.505
where: short stacking energy: -179.894
Base-Backbone interact. energy: -0.357
local terms energy: -197.828161
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -40.007
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -472.030396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.030396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.030396 (E_RNA)
where:
Base-Base interactions energy: -286.289
where: short stacking energy: -140.130
Base-Backbone interact. energy: -0.191
local terms energy: -185.550861
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -44.664
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -36.204
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -446.492993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.492993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.492993 (E_RNA)
where:
Base-Base interactions energy: -270.428
where: short stacking energy: -131.664
Base-Backbone interact. energy: -0.738
local terms energy: -175.326994
where:
bonds (distance) C4'-P energy: -36.215
bonds (distance) P-C4' energy: -37.757
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -32.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -368.620946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.620946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.620946 (E_RNA)
where:
Base-Base interactions energy: -237.893
where: short stacking energy: -126.519
Base-Backbone interact. energy: -1.208
local terms energy: -129.520348
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -35.987
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -28.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -391.792637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.792637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.792637 (E_RNA)
where:
Base-Base interactions energy: -240.881
where: short stacking energy: -119.706
Base-Backbone interact. energy: 0.087
local terms energy: -150.998108
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -188.405719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.405719 (E_RNA)
where:
Base-Base interactions energy: -59.364
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.745
local terms energy: -128.296078
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -741.286933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.286933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.286933 (E_RNA)
where:
Base-Base interactions energy: -510.777
where: short stacking energy: -224.291
Base-Backbone interact. energy: -0.211
local terms energy: -230.298927
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: -72.900
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: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -700.516593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.516593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.516593 (E_RNA)
where:
Base-Base interactions energy: -467.020
where: short stacking energy: -220.323
Base-Backbone interact. energy: -0.023
local terms energy: -233.473657
where:
bonds (distance) C4'-P energy: -36.862
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -48.297
flat angles P-C4'-P energy: -36.587
tors. eta vs tors. theta energy: -75.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -627.571652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.571652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.571652 (E_RNA)
where:
Base-Base interactions energy: -418.795
where: short stacking energy: -180.071
Base-Backbone interact. energy: 0.014
local terms energy: -208.791136
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -53.591
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: 236
Temperature: 1.050000
Total energy: -604.797231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.797231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.797231 (E_RNA)
where:
Base-Base interactions energy: -407.960
where: short stacking energy: -182.987
Base-Backbone interact. energy: -1.169
local terms energy: -195.667926
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -33.874
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -47.834
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: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -563.655080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.655080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.655080 (E_RNA)
where:
Base-Base interactions energy: -383.942
where: short stacking energy: -158.268
Base-Backbone interact. energy: -1.603
local terms energy: -178.110318
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -37.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -495.634185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.634185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.634185 (E_RNA)
where:
Base-Base interactions energy: -318.196
where: short stacking energy: -143.774
Base-Backbone interact. energy: -0.233
local terms energy: -177.204854
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -36.541
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -34.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -469.469832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.469832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.469832 (E_RNA)
where:
Base-Base interactions energy: -286.708
where: short stacking energy: -132.002
Base-Backbone interact. energy: -0.371
local terms energy: -182.390266
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -42.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -371.281371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.281371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.281371 (E_RNA)
where:
Base-Base interactions energy: -234.721
where: short stacking energy: -116.720
Base-Backbone interact. energy: 1.537
local terms energy: -138.097691
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -335.034395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.034395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.034395 (E_RNA)
where:
Base-Base interactions energy: -183.547
where: short stacking energy: -93.973
Base-Backbone interact. energy: 0.607
local terms energy: -152.094125
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -21.431
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: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -195.790379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.790379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790379 (E_RNA)
where:
Base-Base interactions energy: -69.812
where: short stacking energy: -65.058
Base-Backbone interact. energy: 4.629
local terms energy: -130.607327
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -41.431
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -33.486
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: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -745.005270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.005270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.005270 (E_RNA)
where:
Base-Base interactions energy: -499.265
where: short stacking energy: -225.098
Base-Backbone interact. energy: -0.408
local terms energy: -245.332467
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -77.831
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -706.498998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.498998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.498998 (E_RNA)
where:
Base-Base interactions energy: -469.725
where: short stacking energy: -216.815
Base-Backbone interact. energy: -0.111
local terms energy: -236.663197
where:
bonds (distance) C4'-P energy: -41.011
bonds (distance) P-C4' energy: -41.683
flat angles C4'-P-C4' energy: -49.477
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -71.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -617.141651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.141651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.141651 (E_RNA)
where:
Base-Base interactions energy: -402.418
where: short stacking energy: -187.569
Base-Backbone interact. energy: -0.904
local terms energy: -213.819177
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -47.245
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -59.497
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: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -595.384523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.384523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.384523 (E_RNA)
where:
Base-Base interactions energy: -383.524
where: short stacking energy: -164.886
Base-Backbone interact. energy: 1.310
local terms energy: -213.171209
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -47.464
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -48.993
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: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -581.506094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.506094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.506094 (E_RNA)
where:
Base-Base interactions energy: -387.066
where: short stacking energy: -160.096
Base-Backbone interact. energy: -1.330
local terms energy: -193.109797
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -38.782
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -31.879
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: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -520.895305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.895305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.895305 (E_RNA)
where:
Base-Base interactions energy: -329.287
where: short stacking energy: -141.569
Base-Backbone interact. energy: -0.427
local terms energy: -191.181102
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -43.532
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: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -489.840449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.840449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.840449 (E_RNA)
where:
Base-Base interactions energy: -310.596
where: short stacking energy: -135.752
Base-Backbone interact. energy: -1.147
local terms energy: -178.097557
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -340.492696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.492696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.492696 (E_RNA)
where:
Base-Base interactions energy: -195.515
where: short stacking energy: -106.112
Base-Backbone interact. energy: -0.987
local terms energy: -143.990940
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -40.122
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -341.307401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.307401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.307401 (E_RNA)
where:
Base-Base interactions energy: -202.060
where: short stacking energy: -108.223
Base-Backbone interact. energy: 3.419
local terms energy: -142.665722
where:
bonds (distance) C4'-P energy: -42.504
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -216.470460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.470460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.470460 (E_RNA)
where:
Base-Base interactions energy: -95.270
where: short stacking energy: -67.556
Base-Backbone interact. energy: -0.949
local terms energy: -120.250812
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -40.745
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -2.963
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -741.225640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.225640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.225640 (E_RNA)
where:
Base-Base interactions energy: -501.278
where: short stacking energy: -227.276
Base-Backbone interact. energy: -1.147
local terms energy: -238.800725
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -49.124
flat angles P-C4'-P energy: -35.280
tors. eta vs tors. theta energy: -71.737
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -726.108315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.108315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.108315 (E_RNA)
where:
Base-Base interactions energy: -481.173
where: short stacking energy: -230.622
Base-Backbone interact. energy: -0.710
local terms energy: -244.225223
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -74.367
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -657.701470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.701470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.701470 (E_RNA)
where:
Base-Base interactions energy: -437.488
where: short stacking energy: -201.193
Base-Backbone interact. energy: -0.482
local terms energy: -219.731539
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -66.524
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: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -596.258370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.258370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.258370 (E_RNA)
where:
Base-Base interactions energy: -394.187
where: short stacking energy: -169.827
Base-Backbone interact. energy: -1.249
local terms energy: -200.822312
where:
bonds (distance) C4'-P energy: -43.154
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -48.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -558.962759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.962759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.962759 (E_RNA)
where:
Base-Base interactions energy: -365.969
where: short stacking energy: -160.471
Base-Backbone interact. energy: 0.608
local terms energy: -193.601303
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -44.004
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -523.323471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.323471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.323471 (E_RNA)
where:
Base-Base interactions energy: -353.794
where: short stacking energy: -146.715
Base-Backbone interact. energy: -0.682
local terms energy: -168.847685
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -43.810
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -38.690
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: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -454.678252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.678252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.678252 (E_RNA)
where:
Base-Base interactions energy: -274.768
where: short stacking energy: -129.495
Base-Backbone interact. energy: -0.511
local terms energy: -179.399031
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: -38.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -354.602504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.602504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.602504 (E_RNA)
where:
Base-Base interactions energy: -205.150
where: short stacking energy: -116.805
Base-Backbone interact. energy: 0.503
local terms energy: -149.955470
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -42.152
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -365.430251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.430251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.430251 (E_RNA)
where:
Base-Base interactions energy: -204.494
where: short stacking energy: -113.408
Base-Backbone interact. energy: -1.322
local terms energy: -159.613840
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -179.908363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908363 (E_RNA)
where:
Base-Base interactions energy: -50.974
where: short stacking energy: -39.739
Base-Backbone interact. energy: -0.926
local terms energy: -128.007812
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: 5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -745.788908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.788908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.788908 (E_RNA)
where:
Base-Base interactions energy: -500.222
where: short stacking energy: -221.724
Base-Backbone interact. energy: -0.832
local terms energy: -244.735169
where:
bonds (distance) C4'-P energy: -44.221
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -50.379
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -70.380
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -724.862901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.862901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.862901 (E_RNA)
where:
Base-Base interactions energy: -481.568
where: short stacking energy: -228.884
Base-Backbone interact. energy: -0.317
local terms energy: -242.977353
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -75.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -630.088552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.088552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.088552 (E_RNA)
where:
Base-Base interactions energy: -427.263
where: short stacking energy: -191.379
Base-Backbone interact. energy: -0.242
local terms energy: -202.583661
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -49.124
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -56.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -597.716386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.716386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.716386 (E_RNA)
where:
Base-Base interactions energy: -390.224
where: short stacking energy: -174.111
Base-Backbone interact. energy: -2.736
local terms energy: -204.756260
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -44.166
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -33.914
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -559.783636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.783636 (E_RNA)
where:
Base-Base interactions energy: -353.452
where: short stacking energy: -181.346
Base-Backbone interact. energy: -0.101
local terms energy: -206.230487
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -45.391
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -558.135626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.135626 (E_RNA)
where:
Base-Base interactions energy: -372.936
where: short stacking energy: -167.538
Base-Backbone interact. energy: -0.643
local terms energy: -184.555960
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -36.767
flat angles C4'-P-C4' energy: -43.757
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -46.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -447.198635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.198635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.198635 (E_RNA)
where:
Base-Base interactions energy: -277.103
where: short stacking energy: -137.209
Base-Backbone interact. energy: -0.649
local terms energy: -169.446922
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -36.555
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -40.162
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: 239
Temperature: 1.250000
Total energy: -397.598799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.598799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.598799 (E_RNA)
where:
Base-Base interactions energy: -244.207
where: short stacking energy: -123.761
Base-Backbone interact. energy: -0.297
local terms energy: -153.095113
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -359.395689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.395689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.395689 (E_RNA)
where:
Base-Base interactions energy: -205.943
where: short stacking energy: -98.232
Base-Backbone interact. energy: -1.303
local terms energy: -152.149550
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -17.291
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: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -196.007600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.007600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.007600 (E_RNA)
where:
Base-Base interactions energy: -65.286
where: short stacking energy: -57.859
Base-Backbone interact. energy: 0.295
local terms energy: -131.016543
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -30.616
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -743.993343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.993343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.993343 (E_RNA)
where:
Base-Base interactions energy: -510.663
where: short stacking energy: -223.626
Base-Backbone interact. energy: -0.298
local terms energy: -233.031509
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -42.481
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -65.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -728.578236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.578236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.578236 (E_RNA)
where:
Base-Base interactions energy: -483.268
where: short stacking energy: -231.993
Base-Backbone interact. energy: -1.553
local terms energy: -243.756651
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -50.418
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: -75.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -642.964748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.964748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.964748 (E_RNA)
where:
Base-Base interactions energy: -432.084
where: short stacking energy: -189.720
Base-Backbone interact. energy: -1.079
local terms energy: -209.801682
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -56.683
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: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -605.196879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.196879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.196879 (E_RNA)
where:
Base-Base interactions energy: -394.633
where: short stacking energy: -172.265
Base-Backbone interact. energy: -1.720
local terms energy: -208.843471
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -54.178
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: 240
Temperature: 1.100000
Total energy: -594.809051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.809051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.809051 (E_RNA)
where:
Base-Base interactions energy: -392.100
where: short stacking energy: -164.860
Base-Backbone interact. energy: -1.544
local terms energy: -201.164361
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -44.159
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -49.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -525.150833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.150833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.150833 (E_RNA)
where:
Base-Base interactions energy: -337.486
where: short stacking energy: -153.824
Base-Backbone interact. energy: -0.076
local terms energy: -187.588361
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -41.949
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -412.750790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.750790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.750790 (E_RNA)
where:
Base-Base interactions energy: -243.240
where: short stacking energy: -111.617
Base-Backbone interact. energy: 0.760
local terms energy: -170.270934
where:
bonds (distance) C4'-P energy: -41.558
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -29.445
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -414.604538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.604538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.604538 (E_RNA)
where:
Base-Base interactions energy: -259.277
where: short stacking energy: -138.973
Base-Backbone interact. energy: -1.953
local terms energy: -153.375324
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -33.980
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -27.885
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: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -353.285113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.285113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.285113 (E_RNA)
where:
Base-Base interactions energy: -208.652
where: short stacking energy: -108.000
Base-Backbone interact. energy: -0.110
local terms energy: -144.522507
where:
bonds (distance) C4'-P energy: -37.005
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -205.387045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.387045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.387045 (E_RNA)
where:
Base-Base interactions energy: -93.521
where: short stacking energy: -55.666
Base-Backbone interact. energy: 0.054
local terms energy: -111.920052
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -744.849995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.849995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.849995 (E_RNA)
where:
Base-Base interactions energy: -505.529
where: short stacking energy: -228.199
Base-Backbone interact. energy: -0.646
local terms energy: -238.675139
where:
bonds (distance) C4'-P energy: -41.286
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -44.017
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -71.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -694.416760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.416760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.416760 (E_RNA)
where:
Base-Base interactions energy: -468.023
where: short stacking energy: -215.114
Base-Backbone interact. energy: -0.012
local terms energy: -226.382373
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -41.891
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -71.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -628.440210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.440210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.440210 (E_RNA)
where:
Base-Base interactions energy: -426.199
where: short stacking energy: -184.498
Base-Backbone interact. energy: -0.255
local terms energy: -201.986609
where:
bonds (distance) C4'-P energy: -43.585
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -40.795
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -55.486
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: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -605.093131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.093131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.093131 (E_RNA)
where:
Base-Base interactions energy: -409.841
where: short stacking energy: -183.098
Base-Backbone interact. energy: -0.364
local terms energy: -194.888046
where:
bonds (distance) C4'-P energy: -46.085
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -40.070
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -50.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -576.879800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.879800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.879800 (E_RNA)
where:
Base-Base interactions energy: -386.275
where: short stacking energy: -159.349
Base-Backbone interact. energy: 1.030
local terms energy: -191.635089
where:
bonds (distance) C4'-P energy: -38.306
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -41.218
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -45.092
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: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -547.206791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.206791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.206791 (E_RNA)
where:
Base-Base interactions energy: -345.666
where: short stacking energy: -163.980
Base-Backbone interact. energy: -0.276
local terms energy: -201.264547
where:
bonds (distance) C4'-P energy: -40.580
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -48.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -431.069028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.069028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.069028 (E_RNA)
where:
Base-Base interactions energy: -260.866
where: short stacking energy: -121.927
Base-Backbone interact. energy: -0.213
local terms energy: -169.990068
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -40.071
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -23.694
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: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -393.736734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.736734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.736734 (E_RNA)
where:
Base-Base interactions energy: -234.471
where: short stacking energy: -114.389
Base-Backbone interact. energy: -0.977
local terms energy: -158.289171
where:
bonds (distance) C4'-P energy: -40.167
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -40.021
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -22.833
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: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -339.904239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.904239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.904239 (E_RNA)
where:
Base-Base interactions energy: -207.487
where: short stacking energy: -96.337
Base-Backbone interact. energy: 4.417
local terms energy: -136.833525
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -209.386321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.386321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.386321 (E_RNA)
where:
Base-Base interactions energy: -92.239
where: short stacking energy: -51.885
Base-Backbone interact. energy: -0.608
local terms energy: -116.539577
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -46.096
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: 1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -753.135444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.135444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.135444 (E_RNA)
where:
Base-Base interactions energy: -505.946
where: short stacking energy: -222.600
Base-Backbone interact. energy: -0.668
local terms energy: -246.521128
where:
bonds (distance) C4'-P energy: -38.029
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -74.998
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: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -704.609183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.609183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.609183 (E_RNA)
where:
Base-Base interactions energy: -462.093
where: short stacking energy: -213.581
Base-Backbone interact. energy: -0.229
local terms energy: -242.286938
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -49.410
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -67.551
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: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -614.412685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.412685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.412685 (E_RNA)
where:
Base-Base interactions energy: -421.133
where: short stacking energy: -197.708
Base-Backbone interact. energy: -0.089
local terms energy: -193.190554
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -44.754
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -56.226
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: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -623.681984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.681984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.681984 (E_RNA)
where:
Base-Base interactions energy: -423.469
where: short stacking energy: -181.492
Base-Backbone interact. energy: -0.653
local terms energy: -199.560529
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -31.717
tors. eta vs tors. theta energy: -49.621
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -591.965414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.965414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.965414 (E_RNA)
where:
Base-Base interactions energy: -398.351
where: short stacking energy: -174.005
Base-Backbone interact. energy: -0.508
local terms energy: -193.105662
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -38.063
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -53.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -537.213451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.213451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.213451 (E_RNA)
where:
Base-Base interactions energy: -353.570
where: short stacking energy: -172.055
Base-Backbone interact. energy: -0.339
local terms energy: -183.304588
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -397.832079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.832079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.832079 (E_RNA)
where:
Base-Base interactions energy: -243.322
where: short stacking energy: -123.499
Base-Backbone interact. energy: -0.545
local terms energy: -153.965305
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -401.210335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.210335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.210335 (E_RNA)
where:
Base-Base interactions energy: -234.084
where: short stacking energy: -120.678
Base-Backbone interact. energy: -0.366
local terms energy: -166.760837
where:
bonds (distance) C4'-P energy: -38.082
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -370.924480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.924480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.924480 (E_RNA)
where:
Base-Base interactions energy: -207.845
where: short stacking energy: -111.376
Base-Backbone interact. energy: -1.116
local terms energy: -161.963732
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -30.209
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: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -190.872710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872710 (E_RNA)
where:
Base-Base interactions energy: -70.220
where: short stacking energy: -60.006
Base-Backbone interact. energy: 1.144
local terms energy: -121.797178
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -46.396
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -0.022
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -739.803580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.803580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.803580 (E_RNA)
where:
Base-Base interactions energy: -497.555
where: short stacking energy: -232.689
Base-Backbone interact. energy: -0.201
local terms energy: -242.047775
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -76.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -690.335465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.335465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.335465 (E_RNA)
where:
Base-Base interactions energy: -465.437
where: short stacking energy: -210.524
Base-Backbone interact. energy: 1.186
local terms energy: -226.084548
where:
bonds (distance) C4'-P energy: -46.124
bonds (distance) P-C4' energy: -46.277
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -63.979
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: 243
Temperature: 1.000000
Total energy: -634.776029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.776029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.776029 (E_RNA)
where:
Base-Base interactions energy: -422.258
where: short stacking energy: -180.277
Base-Backbone interact. energy: -0.598
local terms energy: -211.919882
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -37.185
flat angles C4'-P-C4' energy: -46.305
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -62.731
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: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -634.107700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.107700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.107700 (E_RNA)
where:
Base-Base interactions energy: -412.730
where: short stacking energy: -205.397
Base-Backbone interact. energy: 1.551
local terms energy: -222.928393
where:
bonds (distance) C4'-P energy: -44.122
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -29.296
tors. eta vs tors. theta energy: -61.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -589.315105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.315105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.315105 (E_RNA)
where:
Base-Base interactions energy: -392.518
where: short stacking energy: -181.714
Base-Backbone interact. energy: -0.258
local terms energy: -196.538797
where:
bonds (distance) C4'-P energy: -31.847
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -44.428
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -53.674
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: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -559.287063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.287063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.287063 (E_RNA)
where:
Base-Base interactions energy: -364.021
where: short stacking energy: -177.329
Base-Backbone interact. energy: 1.175
local terms energy: -196.440567
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -53.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -397.107586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.107586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.107586 (E_RNA)
where:
Base-Base interactions energy: -245.578
where: short stacking energy: -122.303
Base-Backbone interact. energy: 1.419
local terms energy: -152.948474
where:
bonds (distance) C4'-P energy: -35.733
bonds (distance) P-C4' energy: -31.981
flat angles C4'-P-C4' energy: -41.346
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -393.653323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.653323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.653323 (E_RNA)
where:
Base-Base interactions energy: -243.252
where: short stacking energy: -123.721
Base-Backbone interact. energy: 0.515
local terms energy: -150.916192
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -352.186065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.186065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.186065 (E_RNA)
where:
Base-Base interactions energy: -205.152
where: short stacking energy: -118.685
Base-Backbone interact. energy: -0.895
local terms energy: -146.138711
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -28.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -188.400983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.400983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.400983 (E_RNA)
where:
Base-Base interactions energy: -76.552
where: short stacking energy: -56.233
Base-Backbone interact. energy: 0.670
local terms energy: -112.518810
where:
bonds (distance) C4'-P energy: -39.877
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -701.669093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.669093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.669093 (E_RNA)
where:
Base-Base interactions energy: -471.089
where: short stacking energy: -221.739
Base-Backbone interact. energy: -0.108
local terms energy: -230.471318
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -74.122
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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -726.323628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.323628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.323628 (E_RNA)
where:
Base-Base interactions energy: -490.697
where: short stacking energy: -209.576
Base-Backbone interact. energy: -0.993
local terms energy: -234.633934
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -52.080
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -69.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -637.372898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.372898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.372898 (E_RNA)
where:
Base-Base interactions energy: -417.479
where: short stacking energy: -202.441
Base-Backbone interact. energy: -1.084
local terms energy: -218.810023
where:
bonds (distance) C4'-P energy: -41.060
bonds (distance) P-C4' energy: -41.186
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -59.041
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -595.252757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.252757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.252757 (E_RNA)
where:
Base-Base interactions energy: -399.196
where: short stacking energy: -172.065
Base-Backbone interact. energy: -1.209
local terms energy: -194.847986
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -47.482
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -48.959
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: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -585.688053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.688053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.688053 (E_RNA)
where:
Base-Base interactions energy: -385.396
where: short stacking energy: -192.509
Base-Backbone interact. energy: -0.916
local terms energy: -199.375958
where:
bonds (distance) C4'-P energy: -35.997
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -54.236
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: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -578.531655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.531655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.531655 (E_RNA)
where:
Base-Base interactions energy: -392.924
where: short stacking energy: -175.423
Base-Backbone interact. energy: -0.267
local terms energy: -185.340100
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: -47.379
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: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -443.438858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.438858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.438858 (E_RNA)
where:
Base-Base interactions energy: -265.939
where: short stacking energy: -134.827
Base-Backbone interact. energy: -0.393
local terms energy: -177.106881
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -48.617
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -37.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -404.194796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.194796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.194796 (E_RNA)
where:
Base-Base interactions energy: -259.718
where: short stacking energy: -127.215
Base-Backbone interact. energy: -1.315
local terms energy: -143.161838
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -38.123
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -26.756
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: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -367.141251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.141251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.141251 (E_RNA)
where:
Base-Base interactions energy: -217.498
where: short stacking energy: -105.738
Base-Backbone interact. energy: -0.086
local terms energy: -149.557153
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -195.672182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.672182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.672182 (E_RNA)
where:
Base-Base interactions energy: -62.760
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.175
local terms energy: -132.737305
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -5.578
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -720.935670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.935670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.935670 (E_RNA)
where:
Base-Base interactions energy: -478.035
where: short stacking energy: -221.415
Base-Backbone interact. energy: -1.111
local terms energy: -241.789660
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -36.290
tors. eta vs tors. theta energy: -75.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -739.745925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.745925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.745925 (E_RNA)
where:
Base-Base interactions energy: -498.709
where: short stacking energy: -225.734
Base-Backbone interact. energy: -0.023
local terms energy: -241.014040
where:
bonds (distance) C4'-P energy: -44.367
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -31.659
tors. eta vs tors. theta energy: -74.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -663.264461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.264461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.264461 (E_RNA)
where:
Base-Base interactions energy: -432.889
where: short stacking energy: -205.228
Base-Backbone interact. energy: -0.989
local terms energy: -229.386438
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -42.403
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -27.548
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -611.398309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.398309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.398309 (E_RNA)
where:
Base-Base interactions energy: -404.742
where: short stacking energy: -183.488
Base-Backbone interact. energy: 0.075
local terms energy: -206.731010
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -42.661
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -59.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -550.833642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.833642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.833642 (E_RNA)
where:
Base-Base interactions energy: -366.158
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.375
local terms energy: -184.300134
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -48.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -544.080245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.080245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.080245 (E_RNA)
where:
Base-Base interactions energy: -361.438
where: short stacking energy: -145.959
Base-Backbone interact. energy: 0.259
local terms energy: -182.901883
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -26.288
tors. eta vs tors. theta energy: -38.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -442.388040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.388040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.388040 (E_RNA)
where:
Base-Base interactions energy: -277.378
where: short stacking energy: -119.506
Base-Backbone interact. energy: 0.599
local terms energy: -165.608901
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -40.632
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -391.175536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.175536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.175536 (E_RNA)
where:
Base-Base interactions energy: -245.920
where: short stacking energy: -121.551
Base-Backbone interact. energy: -0.854
local terms energy: -144.402058
where:
bonds (distance) C4'-P energy: -35.457
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -22.153
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: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -327.744065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.744065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.744065 (E_RNA)
where:
Base-Base interactions energy: -174.190
where: short stacking energy: -87.589
Base-Backbone interact. energy: 2.176
local terms energy: -155.730707
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -44.947
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -16.493
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: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -194.624384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.624384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.624384 (E_RNA)
where:
Base-Base interactions energy: -90.092
where: short stacking energy: -62.463
Base-Backbone interact. energy: 0.409
local terms energy: -104.941596
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -40.969
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -751.582536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.582536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.582536 (E_RNA)
where:
Base-Base interactions energy: -511.384
where: short stacking energy: -235.805
Base-Backbone interact. energy: -0.899
local terms energy: -239.299919
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -76.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -701.187778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.187778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.187778 (E_RNA)
where:
Base-Base interactions energy: -473.887
where: short stacking energy: -210.565
Base-Backbone interact. energy: -0.216
local terms energy: -227.084538
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -45.050
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -66.958
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: 246
Temperature: 1.000000
Total energy: -656.235101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.235101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.235101 (E_RNA)
where:
Base-Base interactions energy: -443.465
where: short stacking energy: -199.312
Base-Backbone interact. energy: -0.692
local terms energy: -212.078209
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -40.816
flat angles C4'-P-C4' energy: -41.965
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -629.281419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.281419 (E_RNA)
where:
Base-Base interactions energy: -420.738
where: short stacking energy: -191.141
Base-Backbone interact. energy: -0.825
local terms energy: -207.717761
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -60.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -529.560738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.560738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.560738 (E_RNA)
where:
Base-Base interactions energy: -345.512
where: short stacking energy: -170.510
Base-Backbone interact. energy: 0.350
local terms energy: -184.398777
where:
bonds (distance) C4'-P energy: -36.855
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -42.918
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: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -514.179488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.179488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.179488 (E_RNA)
where:
Base-Base interactions energy: -335.091
where: short stacking energy: -136.183
Base-Backbone interact. energy: -1.470
local terms energy: -177.618857
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -43.132
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -37.807
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: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -399.039254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.039254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.039254 (E_RNA)
where:
Base-Base interactions energy: -227.942
where: short stacking energy: -106.039
Base-Backbone interact. energy: -0.030
local terms energy: -171.067722
where:
bonds (distance) C4'-P energy: -38.419
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -21.676
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: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -426.903249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.903249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.903249 (E_RNA)
where:
Base-Base interactions energy: -255.342
where: short stacking energy: -127.731
Base-Backbone interact. energy: -0.138
local terms energy: -171.423362
where:
bonds (distance) C4'-P energy: -38.204
bonds (distance) P-C4' energy: -43.412
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -25.085
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: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -341.016024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.016024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.016024 (E_RNA)
where:
Base-Base interactions energy: -189.829
where: short stacking energy: -99.643
Base-Backbone interact. energy: 0.256
local terms energy: -151.443339
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -39.886
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -200.089622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.089622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.089622 (E_RNA)
where:
Base-Base interactions energy: -78.343
where: short stacking energy: -52.328
Base-Backbone interact. energy: 1.261
local terms energy: -123.007857
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: 5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -742.997885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.997885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.997885 (E_RNA)
where:
Base-Base interactions energy: -498.979
where: short stacking energy: -223.847
Base-Backbone interact. energy: -1.915
local terms energy: -242.103647
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -48.365
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -72.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -689.911135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.911135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.911135 (E_RNA)
where:
Base-Base interactions energy: -468.338
where: short stacking energy: -201.610
Base-Backbone interact. energy: -0.287
local terms energy: -221.286357
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -42.488
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -65.255
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -680.298112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.298112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.298112 (E_RNA)
where:
Base-Base interactions energy: -460.184
where: short stacking energy: -210.786
Base-Backbone interact. energy: -0.529
local terms energy: -219.584786
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -26.875
tors. eta vs tors. theta energy: -68.507
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -610.196929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.196929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.196929 (E_RNA)
where:
Base-Base interactions energy: -397.231
where: short stacking energy: -176.159
Base-Backbone interact. energy: -0.708
local terms energy: -212.258723
where:
bonds (distance) C4'-P energy: -36.377
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -54.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -555.574579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.574579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.574579 (E_RNA)
where:
Base-Base interactions energy: -363.622
where: short stacking energy: -166.798
Base-Backbone interact. energy: -0.332
local terms energy: -191.620892
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -47.326
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -50.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -486.736319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.736319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.736319 (E_RNA)
where:
Base-Base interactions energy: -319.407
where: short stacking energy: -137.210
Base-Backbone interact. energy: -0.179
local terms energy: -167.151227
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -40.482
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -37.263
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -437.872668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.872668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.872668 (E_RNA)
where:
Base-Base interactions energy: -250.751
where: short stacking energy: -129.159
Base-Backbone interact. energy: -0.489
local terms energy: -186.633062
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -47.348
flat angles C4'-P-C4' energy: -44.813
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -36.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -339.892900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.892900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.892900 (E_RNA)
where:
Base-Base interactions energy: -203.004
where: short stacking energy: -92.879
Base-Backbone interact. energy: 0.018
local terms energy: -136.906881
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -378.687373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.687373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.687373 (E_RNA)
where:
Base-Base interactions energy: -225.082
where: short stacking energy: -97.007
Base-Backbone interact. energy: 1.605
local terms energy: -155.210176
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -26.032
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: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -202.000488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.000488 (E_RNA)
where:
Base-Base interactions energy: -72.965
where: short stacking energy: -69.846
Base-Backbone interact. energy: 0.857
local terms energy: -129.891876
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -741.174207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.174207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.174207 (E_RNA)
where:
Base-Base interactions energy: -498.279
where: short stacking energy: -224.978
Base-Backbone interact. energy: -0.339
local terms energy: -242.555599
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: -75.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -698.918928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.918928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.918928 (E_RNA)
where:
Base-Base interactions energy: -451.837
where: short stacking energy: -215.751
Base-Backbone interact. energy: -0.993
local terms energy: -246.088969
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -43.994
flat angles C4'-P-C4' energy: -49.618
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -73.319
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: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -691.943099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.943099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.943099 (E_RNA)
where:
Base-Base interactions energy: -480.534
where: short stacking energy: -223.845
Base-Backbone interact. energy: 0.079
local terms energy: -211.487860
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -70.935
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: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -621.105932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.105932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.105932 (E_RNA)
where:
Base-Base interactions energy: -397.388
where: short stacking energy: -192.201
Base-Backbone interact. energy: -0.174
local terms energy: -223.543326
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -58.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -562.359598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.359598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.359598 (E_RNA)
where:
Base-Base interactions energy: -360.365
where: short stacking energy: -183.322
Base-Backbone interact. energy: -1.116
local terms energy: -200.879038
where:
bonds (distance) C4'-P energy: -41.592
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -42.523
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -45.330
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: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -503.418987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.418987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.418987 (E_RNA)
where:
Base-Base interactions energy: -329.301
where: short stacking energy: -119.580
Base-Backbone interact. energy: -0.112
local terms energy: -174.005702
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -410.644531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.644531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.644531 (E_RNA)
where:
Base-Base interactions energy: -240.019
where: short stacking energy: -116.127
Base-Backbone interact. energy: -0.667
local terms energy: -169.959227
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -39.188
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -32.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -366.200583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.200583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.200583 (E_RNA)
where:
Base-Base interactions energy: -227.301
where: short stacking energy: -122.116
Base-Backbone interact. energy: -0.242
local terms energy: -138.657248
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -25.515
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: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -414.855349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.855349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.855349 (E_RNA)
where:
Base-Base interactions energy: -270.595
where: short stacking energy: -115.317
Base-Backbone interact. energy: -2.055
local terms energy: -142.205097
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -193.074655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.074655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.074655 (E_RNA)
where:
Base-Base interactions energy: -74.151
where: short stacking energy: -67.694
Base-Backbone interact. energy: 2.142
local terms energy: -121.065944
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -749.955350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.955350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.955350 (E_RNA)
where:
Base-Base interactions energy: -510.862
where: short stacking energy: -226.591
Base-Backbone interact. energy: 0.904
local terms energy: -239.997606
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -45.019
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -69.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -688.018797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.018797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.018797 (E_RNA)
where:
Base-Base interactions energy: -458.339
where: short stacking energy: -219.449
Base-Backbone interact. energy: -0.500
local terms energy: -229.179328
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -39.824
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -69.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -681.486254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.486254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.486254 (E_RNA)
where:
Base-Base interactions energy: -460.525
where: short stacking energy: -207.227
Base-Backbone interact. energy: -0.839
local terms energy: -220.121960
where:
bonds (distance) C4'-P energy: -41.692
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -43.877
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -640.136481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.136481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.136481 (E_RNA)
where:
Base-Base interactions energy: -417.108
where: short stacking energy: -201.315
Base-Backbone interact. energy: -0.602
local terms energy: -222.426716
where:
bonds (distance) C4'-P energy: -42.785
bonds (distance) P-C4' energy: -37.696
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -65.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -557.003617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.003617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.003617 (E_RNA)
where:
Base-Base interactions energy: -360.838
where: short stacking energy: -185.122
Base-Backbone interact. energy: -0.723
local terms energy: -195.443186
where:
bonds (distance) C4'-P energy: -44.088
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -46.421
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -515.474760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.474760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.474760 (E_RNA)
where:
Base-Base interactions energy: -324.347
where: short stacking energy: -134.178
Base-Backbone interact. energy: -0.682
local terms energy: -190.446096
where:
bonds (distance) C4'-P energy: -35.996
bonds (distance) P-C4' energy: -50.589
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -35.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -412.064173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.064173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.064173 (E_RNA)
where:
Base-Base interactions energy: -245.531
where: short stacking energy: -111.537
Base-Backbone interact. energy: 0.480
local terms energy: -167.013122
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -387.518382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.518382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.518382 (E_RNA)
where:
Base-Base interactions energy: -229.755
where: short stacking energy: -113.491
Base-Backbone interact. energy: -0.221
local terms energy: -157.542147
where:
bonds (distance) C4'-P energy: -40.173
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -331.981790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.981790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.981790 (E_RNA)
where:
Base-Base interactions energy: -184.893
where: short stacking energy: -93.293
Base-Backbone interact. energy: 0.236
local terms energy: -147.325025
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -180.748445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.748445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.748445 (E_RNA)
where:
Base-Base interactions energy: -68.993
where: short stacking energy: -58.635
Base-Backbone interact. energy: 1.159
local terms energy: -112.914985
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -734.197411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.197411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.197411 (E_RNA)
where:
Base-Base interactions energy: -498.375
where: short stacking energy: -216.297
Base-Backbone interact. energy: -0.657
local terms energy: -235.165720
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -44.749
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -68.572
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: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -680.584381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.584381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.584381 (E_RNA)
where:
Base-Base interactions energy: -448.356
where: short stacking energy: -206.300
Base-Backbone interact. energy: 0.330
local terms energy: -232.558097
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -43.331
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: -65.520
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -655.490170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.490170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.490170 (E_RNA)
where:
Base-Base interactions energy: -439.987
where: short stacking energy: -207.700
Base-Backbone interact. energy: 2.071
local terms energy: -217.574147
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -61.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -676.572711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.572711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.572711 (E_RNA)
where:
Base-Base interactions energy: -442.463
where: short stacking energy: -195.908
Base-Backbone interact. energy: -1.873
local terms energy: -232.236068
where:
bonds (distance) C4'-P energy: -45.519
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -31.291
tors. eta vs tors. theta energy: -64.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -533.658341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.658341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.658341 (E_RNA)
where:
Base-Base interactions energy: -362.179
where: short stacking energy: -148.644
Base-Backbone interact. energy: -1.596
local terms energy: -169.883004
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -39.277
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -34.624
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: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -480.966883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.966883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.966883 (E_RNA)
where:
Base-Base interactions energy: -311.641
where: short stacking energy: -161.212
Base-Backbone interact. energy: -0.344
local terms energy: -168.981771
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -42.742
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -35.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -415.377337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.377337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.377337 (E_RNA)
where:
Base-Base interactions energy: -261.813
where: short stacking energy: -124.224
Base-Backbone interact. energy: -0.060
local terms energy: -153.504629
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -20.667
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -383.597024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.597024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.597024 (E_RNA)
where:
Base-Base interactions energy: -243.292
where: short stacking energy: -103.730
Base-Backbone interact. energy: -0.036
local terms energy: -140.268750
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -33.376
flat angles C4'-P-C4' energy: -34.414
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -11.236
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -357.560319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.560319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.560319 (E_RNA)
where:
Base-Base interactions energy: -213.072
where: short stacking energy: -109.829
Base-Backbone interact. energy: -0.397
local terms energy: -144.091141
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -41.257
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -178.707146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.707146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.707146 (E_RNA)
where:
Base-Base interactions energy: -53.910
where: short stacking energy: -43.086
Base-Backbone interact. energy: 0.452
local terms energy: -125.248938
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: 2.087
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: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -750.054986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.054986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.054986 (E_RNA)
where:
Base-Base interactions energy: -498.599
where: short stacking energy: -234.598
Base-Backbone interact. energy: -0.782
local terms energy: -250.674388
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -50.846
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -76.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -720.074614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.074614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.074614 (E_RNA)
where:
Base-Base interactions energy: -472.131
where: short stacking energy: -226.508
Base-Backbone interact. energy: -0.017
local terms energy: -247.926515
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -50.885
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -77.208
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -639.576470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.576470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.576470 (E_RNA)
where:
Base-Base interactions energy: -408.804
where: short stacking energy: -191.937
Base-Backbone interact. energy: -0.664
local terms energy: -230.108216
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -43.459
flat angles C4'-P-C4' energy: -44.351
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -65.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -653.858081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.858081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.858081 (E_RNA)
where:
Base-Base interactions energy: -434.035
where: short stacking energy: -199.064
Base-Backbone interact. energy: -1.808
local terms energy: -218.015484
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -60.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -541.165902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.165902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.165902 (E_RNA)
where:
Base-Base interactions energy: -349.162
where: short stacking energy: -142.349
Base-Backbone interact. energy: -1.103
local terms energy: -190.900734
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -38.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -508.969660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.969660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.969660 (E_RNA)
where:
Base-Base interactions energy: -317.006
where: short stacking energy: -164.368
Base-Backbone interact. energy: -0.986
local terms energy: -190.977095
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -41.756
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -46.697
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: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -428.852151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.852151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.852151 (E_RNA)
where:
Base-Base interactions energy: -276.120
where: short stacking energy: -117.245
Base-Backbone interact. energy: -1.071
local terms energy: -151.660824
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -41.003
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -29.398
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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -386.121270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.121270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.121270 (E_RNA)
where:
Base-Base interactions energy: -241.978
where: short stacking energy: -111.720
Base-Backbone interact. energy: -1.576
local terms energy: -142.567490
where:
bonds (distance) C4'-P energy: -40.328
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -348.545329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.545329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.545329 (E_RNA)
where:
Base-Base interactions energy: -192.309
where: short stacking energy: -103.096
Base-Backbone interact. energy: -1.492
local terms energy: -154.744654
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -45.609
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -19.843
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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -185.878631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.878631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.878631 (E_RNA)
where:
Base-Base interactions energy: -62.913
where: short stacking energy: -45.401
Base-Backbone interact. energy: 0.380
local terms energy: -123.345789
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -5.739
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -740.407852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.407852 (E_RNA)
where:
Base-Base interactions energy: -503.043
where: short stacking energy: -221.324
Base-Backbone interact. energy: -0.520
local terms energy: -236.844762
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -48.250
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -69.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -700.496319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.496319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.496319 (E_RNA)
where:
Base-Base interactions energy: -473.255
where: short stacking energy: -222.557
Base-Backbone interact. energy: -0.006
local terms energy: -227.235495
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -28.139
tors. eta vs tors. theta energy: -73.593
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -667.767778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.767778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.767778 (E_RNA)
where:
Base-Base interactions energy: -438.153
where: short stacking energy: -194.643
Base-Backbone interact. energy: -0.179
local terms energy: -229.434987
where:
bonds (distance) C4'-P energy: -46.915
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -47.220
flat angles P-C4'-P energy: -33.154
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: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -624.103425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.103425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.103425 (E_RNA)
where:
Base-Base interactions energy: -399.201
where: short stacking energy: -189.926
Base-Backbone interact. energy: -0.233
local terms energy: -224.669409
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -67.677
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -475.637505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.637505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.637505 (E_RNA)
where:
Base-Base interactions energy: -287.773
where: short stacking energy: -136.372
Base-Backbone interact. energy: -0.385
local terms energy: -187.479424
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -49.975
flat angles P-C4'-P energy: -30.727
tors. eta vs tors. theta energy: -32.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -502.486502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.486502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.486502 (E_RNA)
where:
Base-Base interactions energy: -326.658
where: short stacking energy: -138.261
Base-Backbone interact. energy: 1.657
local terms energy: -177.484739
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -389.381964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.381964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.381964 (E_RNA)
where:
Base-Base interactions energy: -240.729
where: short stacking energy: -113.020
Base-Backbone interact. energy: 1.888
local terms energy: -150.540172
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -424.263786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.263786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.263786 (E_RNA)
where:
Base-Base interactions energy: -273.458
where: short stacking energy: -117.320
Base-Backbone interact. energy: 0.373
local terms energy: -151.178885
where:
bonds (distance) C4'-P energy: -41.930
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -23.458
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: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -209.015588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015588 (E_RNA)
where:
Base-Base interactions energy: -86.016
where: short stacking energy: -56.983
Base-Backbone interact. energy: -0.815
local terms energy: -122.184605
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -349.282869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.282869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.282869 (E_RNA)
where:
Base-Base interactions energy: -211.334
where: short stacking energy: -100.805
Base-Backbone interact. energy: -0.672
local terms energy: -137.277011
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -744.114851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.114851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.114851 (E_RNA)
where:
Base-Base interactions energy: -515.957
where: short stacking energy: -240.233
Base-Backbone interact. energy: -0.388
local terms energy: -227.769099
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -47.247
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -691.793234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.793234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.793234 (E_RNA)
where:
Base-Base interactions energy: -460.073
where: short stacking energy: -205.645
Base-Backbone interact. energy: -0.807
local terms energy: -230.913270
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -43.476
flat angles C4'-P-C4' energy: -47.647
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: -64.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -684.482085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.482085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.482085 (E_RNA)
where:
Base-Base interactions energy: -448.610
where: short stacking energy: -202.006
Base-Backbone interact. energy: -1.306
local terms energy: -234.566635
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -44.172
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -28.315
tors. eta vs tors. theta energy: -67.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -606.651188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.651188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.651188 (E_RNA)
where:
Base-Base interactions energy: -386.351
where: short stacking energy: -178.438
Base-Backbone interact. energy: -0.099
local terms energy: -220.201556
where:
bonds (distance) C4'-P energy: -39.975
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -60.446
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: 253
Temperature: 1.100000
Total energy: -518.313171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.313171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.313171 (E_RNA)
where:
Base-Base interactions energy: -328.991
where: short stacking energy: -155.642
Base-Backbone interact. energy: -0.807
local terms energy: -188.514852
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -36.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -439.554186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.554186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.554186 (E_RNA)
where:
Base-Base interactions energy: -268.588
where: short stacking energy: -132.917
Base-Backbone interact. energy: 0.172
local terms energy: -171.138816
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -44.429
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -27.674
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: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -481.589162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.589162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.589162 (E_RNA)
where:
Base-Base interactions energy: -330.475
where: short stacking energy: -133.750
Base-Backbone interact. energy: 1.410
local terms energy: -152.524163
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -35.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -396.855957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.855957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.855957 (E_RNA)
where:
Base-Base interactions energy: -231.355
where: short stacking energy: -107.792
Base-Backbone interact. energy: -1.227
local terms energy: -164.274150
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -45.438
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -203.907005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.907005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.907005 (E_RNA)
where:
Base-Base interactions energy: -94.732
where: short stacking energy: -60.510
Base-Backbone interact. energy: 0.249
local terms energy: -109.423820
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -40.999
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: 3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -355.834545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.834545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.834545 (E_RNA)
where:
Base-Base interactions energy: -200.211
where: short stacking energy: -93.138
Base-Backbone interact. energy: -0.701
local terms energy: -154.922563
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -742.363265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.363265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.363265 (E_RNA)
where:
Base-Base interactions energy: -504.073
where: short stacking energy: -226.917
Base-Backbone interact. energy: -0.874
local terms energy: -237.416173
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -39.314
flat angles C4'-P-C4' energy: -52.358
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -74.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -707.665029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.665029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.665029 (E_RNA)
where:
Base-Base interactions energy: -479.053
where: short stacking energy: -215.815
Base-Backbone interact. energy: -0.079
local terms energy: -228.533242
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -68.893
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -686.270591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.270591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.270591 (E_RNA)
where:
Base-Base interactions energy: -457.079
where: short stacking energy: -209.349
Base-Backbone interact. energy: 0.563
local terms energy: -229.753946
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -67.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -619.869630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.869630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.869630 (E_RNA)
where:
Base-Base interactions energy: -415.298
where: short stacking energy: -190.519
Base-Backbone interact. energy: -0.250
local terms energy: -204.322241
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -52.239
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -466.638248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.638248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.638248 (E_RNA)
where:
Base-Base interactions energy: -281.159
where: short stacking energy: -129.043
Base-Backbone interact. energy: -1.199
local terms energy: -184.280009
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -36.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -532.353623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.353623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.353623 (E_RNA)
where:
Base-Base interactions energy: -341.355
where: short stacking energy: -157.094
Base-Backbone interact. energy: -0.738
local terms energy: -190.260613
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -42.473
flat angles P-C4'-P energy: -27.086
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -406.419428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.419428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.419428 (E_RNA)
where:
Base-Base interactions energy: -238.878
where: short stacking energy: -126.631
Base-Backbone interact. energy: -0.534
local terms energy: -167.007562
where:
bonds (distance) C4'-P energy: -43.313
bonds (distance) P-C4' energy: -38.189
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -454.425576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.425576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.425576 (E_RNA)
where:
Base-Base interactions energy: -281.007
where: short stacking energy: -121.801
Base-Backbone interact. energy: 0.868
local terms energy: -174.287183
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -37.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -336.099046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.099046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.099046 (E_RNA)
where:
Base-Base interactions energy: -183.361
where: short stacking energy: -95.799
Base-Backbone interact. energy: -0.945
local terms energy: -151.793663
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -204.822219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.822219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.822219 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -45.892
Base-Backbone interact. energy: 0.542
local terms energy: -108.075726
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -40.038
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: 7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -726.819089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.819089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.819089 (E_RNA)
where:
Base-Base interactions energy: -486.779
where: short stacking energy: -214.649
Base-Backbone interact. energy: 0.500
local terms energy: -240.540009
where:
bonds (distance) C4'-P energy: -49.913
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -48.272
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -68.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -701.363757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.363757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.363757 (E_RNA)
where:
Base-Base interactions energy: -460.082
where: short stacking energy: -212.716
Base-Backbone interact. energy: -0.581
local terms energy: -240.701023
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -45.312
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -73.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -678.820205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.820205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.820205 (E_RNA)
where:
Base-Base interactions energy: -455.137
where: short stacking energy: -212.903
Base-Backbone interact. energy: -0.284
local terms energy: -223.398832
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -67.919
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -659.300036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.300036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.300036 (E_RNA)
where:
Base-Base interactions energy: -433.936
where: short stacking energy: -195.245
Base-Backbone interact. energy: -1.332
local terms energy: -224.031655
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -499.114935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.114935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.114935 (E_RNA)
where:
Base-Base interactions energy: -309.947
where: short stacking energy: -162.926
Base-Backbone interact. energy: 0.168
local terms energy: -189.335945
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -45.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -531.153535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.153535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.153535 (E_RNA)
where:
Base-Base interactions energy: -337.555
where: short stacking energy: -174.932
Base-Backbone interact. energy: -0.880
local terms energy: -192.718748
where:
bonds (distance) C4'-P energy: -43.577
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -38.785
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -47.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -412.384830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.384830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.384830 (E_RNA)
where:
Base-Base interactions energy: -250.593
where: short stacking energy: -120.431
Base-Backbone interact. energy: -0.870
local terms energy: -160.922113
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -38.112
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -339.138406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.138406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.138406 (E_RNA)
where:
Base-Base interactions energy: -192.200
where: short stacking energy: -97.591
Base-Backbone interact. energy: -1.441
local terms energy: -145.497332
where:
bonds (distance) C4'-P energy: -38.195
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -380.859482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.859482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.859482 (E_RNA)
where:
Base-Base interactions energy: -254.261
where: short stacking energy: -111.711
Base-Backbone interact. energy: 4.349
local terms energy: -130.948120
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -21.081
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: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -196.155590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.155590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.155590 (E_RNA)
where:
Base-Base interactions energy: -74.515
where: short stacking energy: -67.530
Base-Backbone interact. energy: -1.118
local terms energy: -120.521914
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -733.097619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.097619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.097619 (E_RNA)
where:
Base-Base interactions energy: -495.424
where: short stacking energy: -216.309
Base-Backbone interact. energy: -0.003
local terms energy: -237.669878
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -42.768
flat angles C4'-P-C4' energy: -49.390
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -69.176
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: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -700.788283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.788283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.788283 (E_RNA)
where:
Base-Base interactions energy: -469.907
where: short stacking energy: -192.729
Base-Backbone interact. energy: -0.761
local terms energy: -230.119682
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -45.234
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -57.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -695.419471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.419471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.419471 (E_RNA)
where:
Base-Base interactions energy: -470.783
where: short stacking energy: -207.098
Base-Backbone interact. energy: 0.564
local terms energy: -225.201166
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -45.380
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -73.329
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -628.290902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.290902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.290902 (E_RNA)
where:
Base-Base interactions energy: -423.200
where: short stacking energy: -217.147
Base-Backbone interact. energy: 1.342
local terms energy: -206.432942
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -44.785
flat angles P-C4'-P energy: -25.266
tors. eta vs tors. theta energy: -57.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -560.206961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.206961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.206961 (E_RNA)
where:
Base-Base interactions energy: -376.504
where: short stacking energy: -171.539
Base-Backbone interact. energy: -0.433
local terms energy: -183.269541
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -41.629
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -43.126
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -494.579341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.579341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.579341 (E_RNA)
where:
Base-Base interactions energy: -303.105
where: short stacking energy: -148.499
Base-Backbone interact. energy: -0.531
local terms energy: -190.943223
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: -43.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -418.566253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.566253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.566253 (E_RNA)
where:
Base-Base interactions energy: -262.429
where: short stacking energy: -115.215
Base-Backbone interact. energy: -0.863
local terms energy: -155.274700
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -39.719
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -19.593
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: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -343.311121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.311121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.311121 (E_RNA)
where:
Base-Base interactions energy: -193.410
where: short stacking energy: -106.256
Base-Backbone interact. energy: 1.010
local terms energy: -150.911384
where:
bonds (distance) C4'-P energy: -39.967
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -369.483780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.483780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.483780 (E_RNA)
where:
Base-Base interactions energy: -227.564
where: short stacking energy: -97.145
Base-Backbone interact. energy: 1.276
local terms energy: -143.195779
where:
bonds (distance) C4'-P energy: -31.301
bonds (distance) P-C4' energy: -40.685
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -202.273986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.273986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.273986 (E_RNA)
where:
Base-Base interactions energy: -77.827
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.526
local terms energy: -123.920908
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -5.930
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -738.768384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.768384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.768384 (E_RNA)
where:
Base-Base interactions energy: -492.014
where: short stacking energy: -213.912
Base-Backbone interact. energy: -0.747
local terms energy: -246.006974
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -35.491
tors. eta vs tors. theta energy: -68.486
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: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -677.487153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.487153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.487153 (E_RNA)
where:
Base-Base interactions energy: -449.317
where: short stacking energy: -202.822
Base-Backbone interact. energy: -0.219
local terms energy: -227.951787
where:
bonds (distance) C4'-P energy: -39.201
bonds (distance) P-C4' energy: -46.096
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -33.495
tors. eta vs tors. theta energy: -66.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -692.693035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.693035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.693035 (E_RNA)
where:
Base-Base interactions energy: -458.692
where: short stacking energy: -207.518
Base-Backbone interact. energy: -0.142
local terms energy: -233.858385
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -45.566
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -72.272
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -620.945137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.945137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.945137 (E_RNA)
where:
Base-Base interactions energy: -409.945
where: short stacking energy: -203.112
Base-Backbone interact. energy: -0.334
local terms energy: -210.665959
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -63.137
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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -560.483934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.483934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.483934 (E_RNA)
where:
Base-Base interactions energy: -367.337
where: short stacking energy: -173.505
Base-Backbone interact. energy: -0.488
local terms energy: -192.659796
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -53.259
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: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -444.806489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.806489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.806489 (E_RNA)
where:
Base-Base interactions energy: -288.276
where: short stacking energy: -138.245
Base-Backbone interact. energy: -0.990
local terms energy: -155.540903
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -31.170
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -407.823715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.823715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.823715 (E_RNA)
where:
Base-Base interactions energy: -252.634
where: short stacking energy: -132.516
Base-Backbone interact. energy: -2.563
local terms energy: -152.626865
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -24.046
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: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -402.128591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.128591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.128591 (E_RNA)
where:
Base-Base interactions energy: -251.211
where: short stacking energy: -126.834
Base-Backbone interact. energy: 1.228
local terms energy: -152.145769
where:
bonds (distance) C4'-P energy: -37.735
bonds (distance) P-C4' energy: -39.043
flat angles C4'-P-C4' energy: -32.079
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -347.434836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.434836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.434836 (E_RNA)
where:
Base-Base interactions energy: -208.461
where: short stacking energy: -91.932
Base-Backbone interact. energy: 0.453
local terms energy: -139.427479
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -183.982006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982006 (E_RNA)
where:
Base-Base interactions energy: -64.985
where: short stacking energy: -43.858
Base-Backbone interact. energy: -0.771
local terms energy: -118.225806
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: 11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -731.337377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.337377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.337377 (E_RNA)
where:
Base-Base interactions energy: -492.316
where: short stacking energy: -209.782
Base-Backbone interact. energy: 1.428
local terms energy: -240.449543
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -72.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -700.019010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.019010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.019010 (E_RNA)
where:
Base-Base interactions energy: -468.611
where: short stacking energy: -213.310
Base-Backbone interact. energy: -0.206
local terms energy: -231.201856
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -45.700
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -34.412
tors. eta vs tors. theta energy: -64.678
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -686.523712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.523712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.523712 (E_RNA)
where:
Base-Base interactions energy: -455.571
where: short stacking energy: -215.322
Base-Backbone interact. energy: -0.650
local terms energy: -230.302770
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -50.139
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -71.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -599.826174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.826174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.826174 (E_RNA)
where:
Base-Base interactions energy: -409.969
where: short stacking energy: -195.655
Base-Backbone interact. energy: 0.219
local terms energy: -190.076969
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -55.780
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: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -562.775518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.775518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.775518 (E_RNA)
where:
Base-Base interactions energy: -360.412
where: short stacking energy: -162.966
Base-Backbone interact. energy: -1.392
local terms energy: -200.971703
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -50.838
flat angles C4'-P-C4' energy: -45.174
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -39.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -426.030685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.030685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.030685 (E_RNA)
where:
Base-Base interactions energy: -264.532
where: short stacking energy: -117.946
Base-Backbone interact. energy: -1.957
local terms energy: -159.541710
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -27.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -457.203267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.203267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.203267 (E_RNA)
where:
Base-Base interactions energy: -286.677
where: short stacking energy: -132.716
Base-Backbone interact. energy: 2.270
local terms energy: -172.797085
where:
bonds (distance) C4'-P energy: -43.401
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -30.380
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: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -410.040638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.040638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.040638 (E_RNA)
where:
Base-Base interactions energy: -248.693
where: short stacking energy: -112.190
Base-Backbone interact. energy: 1.077
local terms energy: -162.425034
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -359.954525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.954525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.954525 (E_RNA)
where:
Base-Base interactions energy: -207.701
where: short stacking energy: -90.038
Base-Backbone interact. energy: 1.139
local terms energy: -153.392262
where:
bonds (distance) C4'-P energy: -36.509
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -44.297
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -231.140494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.140494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.140494 (E_RNA)
where:
Base-Base interactions energy: -95.571
where: short stacking energy: -60.310
Base-Backbone interact. energy: 0.029
local terms energy: -135.598069
where:
bonds (distance) C4'-P energy: -38.894
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: 4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -750.432873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.432873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.432873 (E_RNA)
where:
Base-Base interactions energy: -514.107
where: short stacking energy: -222.441
Base-Backbone interact. energy: -0.056
local terms energy: -236.270187
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -45.007
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -74.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -686.041126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.041126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.041126 (E_RNA)
where:
Base-Base interactions energy: -455.317
where: short stacking energy: -206.732
Base-Backbone interact. energy: -0.277
local terms energy: -230.446844
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -47.175
flat angles P-C4'-P energy: -34.180
tors. eta vs tors. theta energy: -64.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -652.777632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.777632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.777632 (E_RNA)
where:
Base-Base interactions energy: -436.436
where: short stacking energy: -194.490
Base-Backbone interact. energy: 0.210
local terms energy: -216.551439
where:
bonds (distance) C4'-P energy: -37.615
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -46.738
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -61.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -621.179631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.179631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.179631 (E_RNA)
where:
Base-Base interactions energy: -392.627
where: short stacking energy: -186.363
Base-Backbone interact. energy: -0.509
local terms energy: -228.043608
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -62.586
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -541.884625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.884625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.884625 (E_RNA)
where:
Base-Base interactions energy: -354.597
where: short stacking energy: -159.395
Base-Backbone interact. energy: -0.971
local terms energy: -186.316044
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -454.260349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.260349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.260349 (E_RNA)
where:
Base-Base interactions energy: -269.854
where: short stacking energy: -118.724
Base-Backbone interact. energy: 0.181
local terms energy: -184.587162
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -31.312
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: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -409.911658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.911658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.911658 (E_RNA)
where:
Base-Base interactions energy: -259.607
where: short stacking energy: -116.310
Base-Backbone interact. energy: -0.617
local terms energy: -149.688033
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -392.267290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.267290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.267290 (E_RNA)
where:
Base-Base interactions energy: -242.253
where: short stacking energy: -100.299
Base-Backbone interact. energy: 2.223
local terms energy: -152.236666
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -334.036979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.036979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.036979 (E_RNA)
where:
Base-Base interactions energy: -184.365
where: short stacking energy: -94.485
Base-Backbone interact. energy: -0.205
local terms energy: -149.466755
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -222.678299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.678299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.678299 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -74.214
Base-Backbone interact. energy: 1.601
local terms energy: -115.056503
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -715.193749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.193749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.193749 (E_RNA)
where:
Base-Base interactions energy: -470.990
where: short stacking energy: -227.691
Base-Backbone interact. energy: -0.975
local terms energy: -243.229434
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -47.991
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -73.072
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: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -718.539002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.539002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.539002 (E_RNA)
where:
Base-Base interactions energy: -487.779
where: short stacking energy: -207.571
Base-Backbone interact. energy: 1.320
local terms energy: -232.079545
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -45.845
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -68.000
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: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -644.361921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.361921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.361921 (E_RNA)
where:
Base-Base interactions energy: -422.472
where: short stacking energy: -206.057
Base-Backbone interact. energy: -1.159
local terms energy: -220.730625
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -37.030
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -32.747
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -629.774400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.774400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.774400 (E_RNA)
where:
Base-Base interactions energy: -415.584
where: short stacking energy: -184.770
Base-Backbone interact. energy: -0.832
local terms energy: -213.358066
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -59.583
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: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -554.815884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.815884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.815884 (E_RNA)
where:
Base-Base interactions energy: -368.479
where: short stacking energy: -148.089
Base-Backbone interact. energy: -0.977
local terms energy: -185.359412
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -47.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -442.102405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.102405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.102405 (E_RNA)
where:
Base-Base interactions energy: -264.702
where: short stacking energy: -124.754
Base-Backbone interact. energy: -1.012
local terms energy: -176.388862
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -43.912
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -452.653126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.653126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.653126 (E_RNA)
where:
Base-Base interactions energy: -290.531
where: short stacking energy: -133.199
Base-Backbone interact. energy: 1.842
local terms energy: -163.963991
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -41.615
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -392.659001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.659001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.659001 (E_RNA)
where:
Base-Base interactions energy: -238.847
where: short stacking energy: -112.156
Base-Backbone interact. energy: 2.252
local terms energy: -156.063848
where:
bonds (distance) C4'-P energy: -27.716
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -43.571
flat angles P-C4'-P energy: -29.676
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -350.645518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.645518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.645518 (E_RNA)
where:
Base-Base interactions energy: -200.817
where: short stacking energy: -98.691
Base-Backbone interact. energy: -0.623
local terms energy: -149.205482
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -176.795425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.795425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.795425 (E_RNA)
where:
Base-Base interactions energy: -63.283
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.003
local terms energy: -113.509980
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -1.634
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: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -712.754135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.754135 (E_RNA)
where:
Base-Base interactions energy: -473.188
where: short stacking energy: -218.484
Base-Backbone interact. energy: -0.788
local terms energy: -238.778028
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -70.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -726.707953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.707953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.707953 (E_RNA)
where:
Base-Base interactions energy: -501.514
where: short stacking energy: -223.002
Base-Backbone interact. energy: -0.452
local terms energy: -224.741888
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -72.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -646.995088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.995088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.995088 (E_RNA)
where:
Base-Base interactions energy: -423.338
where: short stacking energy: -201.829
Base-Backbone interact. energy: -0.546
local terms energy: -223.110876
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -33.509
tors. eta vs tors. theta energy: -65.509
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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -651.144890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.144890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.144890 (E_RNA)
where:
Base-Base interactions energy: -430.633
where: short stacking energy: -195.398
Base-Backbone interact. energy: 0.570
local terms energy: -221.081869
where:
bonds (distance) C4'-P energy: -39.308
bonds (distance) P-C4' energy: -41.641
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -61.610
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: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -530.329582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.329582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.329582 (E_RNA)
where:
Base-Base interactions energy: -327.408
where: short stacking energy: -161.716
Base-Backbone interact. energy: -1.566
local terms energy: -201.355223
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -45.011
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -49.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -461.808633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.808633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.808633 (E_RNA)
where:
Base-Base interactions energy: -301.334
where: short stacking energy: -131.172
Base-Backbone interact. energy: 1.141
local terms energy: -161.615573
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -43.816
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -452.992635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.992635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.992635 (E_RNA)
where:
Base-Base interactions energy: -285.984
where: short stacking energy: -118.803
Base-Backbone interact. energy: 0.725
local terms energy: -167.733297
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -37.238
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -36.283
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: 261
Temperature: 1.250000
Total energy: -390.354285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.354285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.354285 (E_RNA)
where:
Base-Base interactions energy: -227.455
where: short stacking energy: -105.406
Base-Backbone interact. energy: -0.266
local terms energy: -162.633682
where:
bonds (distance) C4'-P energy: -33.986
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -40.561
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -373.165644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.165644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.165644 (E_RNA)
where:
Base-Base interactions energy: -232.214
where: short stacking energy: -100.645
Base-Backbone interact. energy: -0.479
local terms energy: -140.472151
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -190.277177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.277177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.277177 (E_RNA)
where:
Base-Base interactions energy: -59.393
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.470
local terms energy: -130.413638
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -36.111
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -736.942055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.942055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.942055 (E_RNA)
where:
Base-Base interactions energy: -502.881
where: short stacking energy: -233.395
Base-Backbone interact. energy: -0.111
local terms energy: -233.949766
where:
bonds (distance) C4'-P energy: -39.921
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -74.665
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: 262
Temperature: 0.950000
Total energy: -696.786641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.786641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.786641 (E_RNA)
where:
Base-Base interactions energy: -471.232
where: short stacking energy: -214.956
Base-Backbone interact. energy: -0.078
local terms energy: -225.476452
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -48.969
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -67.302
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -657.633027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.633027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.633027 (E_RNA)
where:
Base-Base interactions energy: -448.485
where: short stacking energy: -209.328
Base-Backbone interact. energy: -0.479
local terms energy: -208.669347
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -45.310
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -64.312
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: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -633.036105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.036105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.036105 (E_RNA)
where:
Base-Base interactions energy: -410.527
where: short stacking energy: -191.084
Base-Backbone interact. energy: 0.720
local terms energy: -223.229209
where:
bonds (distance) C4'-P energy: -39.817
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -45.092
flat angles P-C4'-P energy: -37.399
tors. eta vs tors. theta energy: -62.821
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: 262
Temperature: 1.100000
Total energy: -457.721449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.721449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.721449 (E_RNA)
where:
Base-Base interactions energy: -298.891
where: short stacking energy: -153.755
Base-Backbone interact. energy: 0.192
local terms energy: -159.022770
where:
bonds (distance) C4'-P energy: -37.455
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -33.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -495.471930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.471930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.471930 (E_RNA)
where:
Base-Base interactions energy: -321.347
where: short stacking energy: -161.101
Base-Backbone interact. energy: -0.442
local terms energy: -173.683769
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -42.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -483.628678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.628678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.628678 (E_RNA)
where:
Base-Base interactions energy: -306.689
where: short stacking energy: -139.065
Base-Backbone interact. energy: 1.981
local terms energy: -178.920766
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -38.619
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -406.813547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.813547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.813547 (E_RNA)
where:
Base-Base interactions energy: -244.406
where: short stacking energy: -121.201
Base-Backbone interact. energy: -0.311
local terms energy: -162.096851
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -349.655438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.655438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.655438 (E_RNA)
where:
Base-Base interactions energy: -211.815
where: short stacking energy: -92.351
Base-Backbone interact. energy: -1.281
local terms energy: -136.559886
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -12.801
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: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -180.160502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160502 (E_RNA)
where:
Base-Base interactions energy: -50.990
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.890
local terms energy: -128.279811
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -39.239
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: 12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -748.810787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.810787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.810787 (E_RNA)
where:
Base-Base interactions energy: -501.209
where: short stacking energy: -223.154
Base-Backbone interact. energy: -0.313
local terms energy: -247.288699
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -44.026
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -73.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -680.126598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.126598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.126598 (E_RNA)
where:
Base-Base interactions energy: -453.695
where: short stacking energy: -205.735
Base-Backbone interact. energy: -0.775
local terms energy: -225.657114
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -69.994
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -678.255656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.255656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.255656 (E_RNA)
where:
Base-Base interactions energy: -453.196
where: short stacking energy: -205.401
Base-Backbone interact. energy: 0.358
local terms energy: -225.417169
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -66.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -587.307918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.307918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.307918 (E_RNA)
where:
Base-Base interactions energy: -379.052
where: short stacking energy: -173.743
Base-Backbone interact. energy: -0.894
local terms energy: -207.361451
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -40.827
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -52.842
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: 263
Temperature: 1.100000
Total energy: -480.195048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.195048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.195048 (E_RNA)
where:
Base-Base interactions energy: -300.972
where: short stacking energy: -136.036
Base-Backbone interact. energy: -0.296
local terms energy: -178.927396
where:
bonds (distance) C4'-P energy: -44.426
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -44.602
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -515.867633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.867633 (E_RNA)
where:
Base-Base interactions energy: -315.340
where: short stacking energy: -145.994
Base-Backbone interact. energy: -0.469
local terms energy: -200.058460
where:
bonds (distance) C4'-P energy: -40.174
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -44.939
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -40.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -501.318812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.318812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.318812 (E_RNA)
where:
Base-Base interactions energy: -334.042
where: short stacking energy: -153.266
Base-Backbone interact. energy: -0.454
local terms energy: -166.823011
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -37.945
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -44.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -383.297060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.297060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.297060 (E_RNA)
where:
Base-Base interactions energy: -224.753
where: short stacking energy: -118.967
Base-Backbone interact. energy: -0.972
local terms energy: -157.572059
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -37.834
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -17.103
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: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -327.640162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.640162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.640162 (E_RNA)
where:
Base-Base interactions energy: -182.010
where: short stacking energy: -93.671
Base-Backbone interact. energy: -1.257
local terms energy: -144.373295
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -38.818
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -14.690
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: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -173.843512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.843512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.843512 (E_RNA)
where:
Base-Base interactions energy: -58.469
where: short stacking energy: -57.528
Base-Backbone interact. energy: -2.090
local terms energy: -113.284792
where:
bonds (distance) C4'-P energy: -32.031
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -739.875320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.875320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.875320 (E_RNA)
where:
Base-Base interactions energy: -500.460
where: short stacking energy: -227.971
Base-Backbone interact. energy: -1.363
local terms energy: -238.052564
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -42.688
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -70.674
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: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -679.635033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.635033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.635033 (E_RNA)
where:
Base-Base interactions energy: -442.132
where: short stacking energy: -198.000
Base-Backbone interact. energy: -0.638
local terms energy: -236.865140
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -47.579
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -69.700
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -685.516374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.516374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.516374 (E_RNA)
where:
Base-Base interactions energy: -453.575
where: short stacking energy: -211.729
Base-Backbone interact. energy: -0.046
local terms energy: -231.895687
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -45.483
flat angles C4'-P-C4' energy: -44.477
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -69.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -574.180055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.180055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.180055 (E_RNA)
where:
Base-Base interactions energy: -373.973
where: short stacking energy: -167.931
Base-Backbone interact. energy: -0.510
local terms energy: -199.697065
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -526.337504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.337504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.337504 (E_RNA)
where:
Base-Base interactions energy: -350.153
where: short stacking energy: -153.104
Base-Backbone interact. energy: -0.403
local terms energy: -175.782351
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -424.967041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.967041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.967041 (E_RNA)
where:
Base-Base interactions energy: -260.324
where: short stacking energy: -108.114
Base-Backbone interact. energy: -0.109
local terms energy: -164.534290
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -27.466
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -509.810675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.810675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.810675 (E_RNA)
where:
Base-Base interactions energy: -316.807
where: short stacking energy: -151.885
Base-Backbone interact. energy: -0.449
local terms energy: -192.554911
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -45.809
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -48.324
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: 264
Temperature: 1.250000
Total energy: -405.765136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.765136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.765136 (E_RNA)
where:
Base-Base interactions energy: -244.750
where: short stacking energy: -110.046
Base-Backbone interact. energy: -0.655
local terms energy: -160.359613
where:
bonds (distance) C4'-P energy: -45.085
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -23.604
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -337.750128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.750128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.750128 (E_RNA)
where:
Base-Base interactions energy: -199.318
where: short stacking energy: -107.166
Base-Backbone interact. energy: 0.820
local terms energy: -139.251154
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -26.019
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -190.365761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.365761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.365761 (E_RNA)
where:
Base-Base interactions energy: -60.643
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.695
local terms energy: -129.028005
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: 0.612
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: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -745.057574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.057574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.057574 (E_RNA)
where:
Base-Base interactions energy: -507.086
where: short stacking energy: -214.052
Base-Backbone interact. energy: -1.046
local terms energy: -236.925329
where:
bonds (distance) C4'-P energy: -41.917
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -46.421
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -67.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -692.055078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.055078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.055078 (E_RNA)
where:
Base-Base interactions energy: -458.382
where: short stacking energy: -201.653
Base-Backbone interact. energy: -0.106
local terms energy: -233.567035
where:
bonds (distance) C4'-P energy: -43.148
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -65.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -682.637776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.637776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.637776 (E_RNA)
where:
Base-Base interactions energy: -454.257
where: short stacking energy: -209.973
Base-Backbone interact. energy: -0.240
local terms energy: -228.139948
where:
bonds (distance) C4'-P energy: -41.482
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -45.087
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -66.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -613.031249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.031249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.031249 (E_RNA)
where:
Base-Base interactions energy: -407.286
where: short stacking energy: -196.570
Base-Backbone interact. energy: -2.689
local terms energy: -203.056561
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -41.039
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -521.613196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.613196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.613196 (E_RNA)
where:
Base-Base interactions energy: -337.842
where: short stacking energy: -161.102
Base-Backbone interact. energy: -0.299
local terms energy: -183.472412
where:
bonds (distance) C4'-P energy: -38.014
bonds (distance) P-C4' energy: -39.265
flat angles C4'-P-C4' energy: -39.303
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -37.464
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -540.159684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.159684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.159684 (E_RNA)
where:
Base-Base interactions energy: -347.318
where: short stacking energy: -163.631
Base-Backbone interact. energy: -0.603
local terms energy: -192.238190
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -25.264
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: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -400.251837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.251837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.251837 (E_RNA)
where:
Base-Base interactions energy: -251.220
where: short stacking energy: -113.684
Base-Backbone interact. energy: 2.354
local terms energy: -151.385237
where:
bonds (distance) C4'-P energy: -31.928
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -413.728686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.728686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.728686 (E_RNA)
where:
Base-Base interactions energy: -252.780
where: short stacking energy: -120.624
Base-Backbone interact. energy: -0.725
local terms energy: -160.223186
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -34.559
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -25.525
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: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -341.442312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.442312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.442312 (E_RNA)
where:
Base-Base interactions energy: -201.747
where: short stacking energy: -99.558
Base-Backbone interact. energy: 0.828
local terms energy: -140.523439
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -181.713147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713147 (E_RNA)
where:
Base-Base interactions energy: -63.276
where: short stacking energy: -63.224
Base-Backbone interact. energy: 5.302
local terms energy: -123.738480
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -35.231
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -14.627
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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -749.314266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.314266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.314266 (E_RNA)
where:
Base-Base interactions energy: -506.372
where: short stacking energy: -214.470
Base-Backbone interact. energy: -0.710
local terms energy: -242.232096
where:
bonds (distance) C4'-P energy: -43.471
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -696.644507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.644507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.644507 (E_RNA)
where:
Base-Base interactions energy: -463.709
where: short stacking energy: -217.568
Base-Backbone interact. energy: 0.800
local terms energy: -233.736257
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -40.976
flat angles C4'-P-C4' energy: -48.227
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -73.105
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: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -679.939837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.939837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.939837 (E_RNA)
where:
Base-Base interactions energy: -449.650
where: short stacking energy: -218.927
Base-Backbone interact. energy: -0.746
local terms energy: -229.543837
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -42.769
flat angles P-C4'-P energy: -34.259
tors. eta vs tors. theta energy: -70.316
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -622.814766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.814766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.814766 (E_RNA)
where:
Base-Base interactions energy: -406.374
where: short stacking energy: -187.806
Base-Backbone interact. energy: -1.451
local terms energy: -214.990032
where:
bonds (distance) C4'-P energy: -38.174
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -59.569
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: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -524.163308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.163308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.163308 (E_RNA)
where:
Base-Base interactions energy: -339.080
where: short stacking energy: -160.678
Base-Backbone interact. energy: 1.764
local terms energy: -186.847002
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -33.689
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: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -455.457326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.457326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.457326 (E_RNA)
where:
Base-Base interactions energy: -290.349
where: short stacking energy: -132.394
Base-Backbone interact. energy: -0.588
local terms energy: -164.520603
where:
bonds (distance) C4'-P energy: -39.662
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -28.635
tors. eta vs tors. theta energy: -30.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -418.989903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.989903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.989903 (E_RNA)
where:
Base-Base interactions energy: -251.037
where: short stacking energy: -119.305
Base-Backbone interact. energy: -0.144
local terms energy: -167.809396
where:
bonds (distance) C4'-P energy: -37.491
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -378.111721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.111721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.111721 (E_RNA)
where:
Base-Base interactions energy: -227.459
where: short stacking energy: -103.596
Base-Backbone interact. energy: 0.382
local terms energy: -151.034706
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -13.349
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: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -342.876431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.876431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.876431 (E_RNA)
where:
Base-Base interactions energy: -201.714
where: short stacking energy: -93.655
Base-Backbone interact. energy: -1.140
local terms energy: -140.021591
where:
bonds (distance) C4'-P energy: -35.890
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -43.566
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -218.427138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.427138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.427138 (E_RNA)
where:
Base-Base interactions energy: -117.824
where: short stacking energy: -77.077
Base-Backbone interact. energy: 3.194
local terms energy: -103.796717
where:
bonds (distance) C4'-P energy: -37.317
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: 2.087
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: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -727.640791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.640791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.640791 (E_RNA)
where:
Base-Base interactions energy: -506.185
where: short stacking energy: -224.412
Base-Backbone interact. energy: -1.271
local terms energy: -220.184533
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -40.518
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -69.312
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: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -698.820838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.820838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.820838 (E_RNA)
where:
Base-Base interactions energy: -467.645
where: short stacking energy: -208.899
Base-Backbone interact. energy: 0.104
local terms energy: -231.279325
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -71.032
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: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -680.240889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.240889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.240889 (E_RNA)
where:
Base-Base interactions energy: -450.852
where: short stacking energy: -209.597
Base-Backbone interact. energy: -0.013
local terms energy: -229.375682
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -47.305
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -67.711
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: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -637.992472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.992472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.992472 (E_RNA)
where:
Base-Base interactions energy: -417.100
where: short stacking energy: -188.305
Base-Backbone interact. energy: -0.410
local terms energy: -220.481674
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -63.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -508.507947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.507947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.507947 (E_RNA)
where:
Base-Base interactions energy: -325.227
where: short stacking energy: -139.067
Base-Backbone interact. energy: -0.970
local terms energy: -182.311293
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -39.601
flat angles P-C4'-P energy: -33.258
tors. eta vs tors. theta energy: -30.327
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -452.671775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.671775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.671775 (E_RNA)
where:
Base-Base interactions energy: -272.907
where: short stacking energy: -126.298
Base-Backbone interact. energy: -0.282
local terms energy: -179.482202
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -39.367
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -442.467952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.467952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.467952 (E_RNA)
where:
Base-Base interactions energy: -274.677
where: short stacking energy: -132.539
Base-Backbone interact. energy: 0.441
local terms energy: -168.232353
where:
bonds (distance) C4'-P energy: -40.381
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -32.148
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: 267
Temperature: 1.250000
Total energy: -385.988965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.988965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.988965 (E_RNA)
where:
Base-Base interactions energy: -234.698
where: short stacking energy: -103.121
Base-Backbone interact. energy: -0.509
local terms energy: -150.782115
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -27.796
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -325.918835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.918835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.918835 (E_RNA)
where:
Base-Base interactions energy: -188.108
where: short stacking energy: -99.358
Base-Backbone interact. energy: -0.590
local terms energy: -137.220678
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -232.797548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.797548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.797548 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -82.916
Base-Backbone interact. energy: -1.165
local terms energy: -110.029796
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -704.582239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.582239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.582239 (E_RNA)
where:
Base-Base interactions energy: -479.369
where: short stacking energy: -222.864
Base-Backbone interact. energy: -0.018
local terms energy: -225.194689
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -73.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -731.081325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.081325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.081325 (E_RNA)
where:
Base-Base interactions energy: -492.891
where: short stacking energy: -222.782
Base-Backbone interact. energy: -1.432
local terms energy: -236.758461
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -45.650
flat angles C4'-P-C4' energy: -45.424
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -69.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -635.868239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.868239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.868239 (E_RNA)
where:
Base-Base interactions energy: -416.304
where: short stacking energy: -201.357
Base-Backbone interact. energy: -0.575
local terms energy: -218.988884
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -59.743
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -642.141550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.141550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.141550 (E_RNA)
where:
Base-Base interactions energy: -429.558
where: short stacking energy: -194.586
Base-Backbone interact. energy: 1.559
local terms energy: -214.142812
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -65.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -514.719026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.719026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.719026 (E_RNA)
where:
Base-Base interactions energy: -329.388
where: short stacking energy: -154.758
Base-Backbone interact. energy: -0.246
local terms energy: -185.085194
where:
bonds (distance) C4'-P energy: -44.602
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -39.145
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: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -434.705595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.705595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.705595 (E_RNA)
where:
Base-Base interactions energy: -272.742
where: short stacking energy: -124.984
Base-Backbone interact. energy: 0.178
local terms energy: -162.141756
where:
bonds (distance) C4'-P energy: -46.747
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -466.332005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.332005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.332005 (E_RNA)
where:
Base-Base interactions energy: -283.009
where: short stacking energy: -151.496
Base-Backbone interact. energy: -0.407
local terms energy: -182.915333
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -38.112
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -41.427
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: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -408.471652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.471652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.471652 (E_RNA)
where:
Base-Base interactions energy: -243.998
where: short stacking energy: -123.782
Base-Backbone interact. energy: 1.560
local terms energy: -166.033948
where:
bonds (distance) C4'-P energy: -40.371
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -241.382476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.382476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.382476 (E_RNA)
where:
Base-Base interactions energy: -104.260
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.644
local terms energy: -136.479204
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -38.793
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -316.018056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.018056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.018056 (E_RNA)
where:
Base-Base interactions energy: -172.436
where: short stacking energy: -95.519
Base-Backbone interact. energy: -0.947
local terms energy: -142.635522
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -699.819164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.819164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.819164 (E_RNA)
where:
Base-Base interactions energy: -470.388
where: short stacking energy: -226.741
Base-Backbone interact. energy: -0.231
local terms energy: -229.200235
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -44.609
flat angles C4'-P-C4' energy: -44.411
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -68.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -710.148189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.148189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.148189 (E_RNA)
where:
Base-Base interactions energy: -492.935
where: short stacking energy: -206.434
Base-Backbone interact. energy: 0.429
local terms energy: -217.641681
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -42.548
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -59.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -639.686271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.686271 (E_RNA)
where:
Base-Base interactions energy: -422.343
where: short stacking energy: -200.902
Base-Backbone interact. energy: -0.078
local terms energy: -217.265214
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -63.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -626.323551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.323551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.323551 (E_RNA)
where:
Base-Base interactions energy: -415.819
where: short stacking energy: -189.026
Base-Backbone interact. energy: -0.160
local terms energy: -210.343708
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -62.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -525.703276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.703276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.703276 (E_RNA)
where:
Base-Base interactions energy: -338.665
where: short stacking energy: -157.287
Base-Backbone interact. energy: -0.608
local terms energy: -186.430661
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -38.789
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -41.905
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -477.667790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.667790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.667790 (E_RNA)
where:
Base-Base interactions energy: -298.560
where: short stacking energy: -146.970
Base-Backbone interact. energy: -0.143
local terms energy: -178.964936
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -42.142
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -35.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -456.989839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.989839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.989839 (E_RNA)
where:
Base-Base interactions energy: -279.285
where: short stacking energy: -129.600
Base-Backbone interact. energy: -1.463
local terms energy: -176.241361
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -40.482
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -411.840818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.840818 (E_RNA)
where:
Base-Base interactions energy: -260.070
where: short stacking energy: -127.304
Base-Backbone interact. energy: -0.459
local terms energy: -151.311783
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -39.617
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -205.689314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.689314 (E_RNA)
where:
Base-Base interactions energy: -72.878
where: short stacking energy: -70.788
Base-Backbone interact. energy: 0.542
local terms energy: -133.354055
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -34.052
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -317.960934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.960934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.960934 (E_RNA)
where:
Base-Base interactions energy: -186.305
where: short stacking energy: -93.851
Base-Backbone interact. energy: -0.332
local terms energy: -131.323905
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -38.901
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -738.470902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.470902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.470902 (E_RNA)
where:
Base-Base interactions energy: -506.896
where: short stacking energy: -223.764
Base-Backbone interact. energy: -0.265
local terms energy: -231.309591
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -42.681
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -696.835720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.835720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.835720 (E_RNA)
where:
Base-Base interactions energy: -461.976
where: short stacking energy: -214.743
Base-Backbone interact. energy: -0.030
local terms energy: -234.830192
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -46.108
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -73.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -631.599776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.599776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.599776 (E_RNA)
where:
Base-Base interactions energy: -413.655
where: short stacking energy: -187.059
Base-Backbone interact. energy: -0.260
local terms energy: -217.684540
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -58.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -607.156172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.156172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.156172 (E_RNA)
where:
Base-Base interactions energy: -399.104
where: short stacking energy: -184.329
Base-Backbone interact. energy: -0.546
local terms energy: -207.506080
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -51.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -528.892684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.892684 (E_RNA)
where:
Base-Base interactions energy: -336.368
where: short stacking energy: -164.564
Base-Backbone interact. energy: 0.112
local terms energy: -192.636188
where:
bonds (distance) C4'-P energy: -39.998
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -41.464
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -43.994
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: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -457.468563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.468563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.468563 (E_RNA)
where:
Base-Base interactions energy: -279.516
where: short stacking energy: -154.599
Base-Backbone interact. energy: -0.461
local terms energy: -177.492201
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -40.714
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: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -430.854219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.854219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.854219 (E_RNA)
where:
Base-Base interactions energy: -274.594
where: short stacking energy: -119.591
Base-Backbone interact. energy: 1.581
local terms energy: -157.840593
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -26.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -389.271394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.271394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.271394 (E_RNA)
where:
Base-Base interactions energy: -241.647
where: short stacking energy: -112.412
Base-Backbone interact. energy: -0.509
local terms energy: -147.115082
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -324.254165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.254165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.254165 (E_RNA)
where:
Base-Base interactions energy: -181.756
where: short stacking energy: -92.416
Base-Backbone interact. energy: -0.162
local terms energy: -142.336380
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -176.626322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.626322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.626322 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -50.920
Base-Backbone interact. energy: 0.797
local terms energy: -124.447415
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: 5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -754.028599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.028599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.028599 (E_RNA)
where:
Base-Base interactions energy: -515.487
where: short stacking energy: -226.441
Base-Backbone interact. energy: -0.054
local terms energy: -238.487476
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -40.800
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -70.204
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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -695.436695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.436695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.436695 (E_RNA)
where:
Base-Base interactions energy: -459.247
where: short stacking energy: -205.176
Base-Backbone interact. energy: -0.022
local terms energy: -236.167838
where:
bonds (distance) C4'-P energy: -44.242
bonds (distance) P-C4' energy: -40.892
flat angles C4'-P-C4' energy: -43.221
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -68.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -680.801692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.801692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.801692 (E_RNA)
where:
Base-Base interactions energy: -453.510
where: short stacking energy: -208.864
Base-Backbone interact. energy: -0.341
local terms energy: -226.950259
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -44.924
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -66.238
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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -601.111619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.111619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.111619 (E_RNA)
where:
Base-Base interactions energy: -388.288
where: short stacking energy: -184.371
Base-Backbone interact. energy: -0.360
local terms energy: -212.464111
where:
bonds (distance) C4'-P energy: -41.096
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -52.146
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -533.305646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.305646 (E_RNA)
where:
Base-Base interactions energy: -348.591
where: short stacking energy: -154.270
Base-Backbone interact. energy: -1.334
local terms energy: -183.380624
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -42.951
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -478.581275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.581275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.581275 (E_RNA)
where:
Base-Base interactions energy: -284.263
where: short stacking energy: -149.208
Base-Backbone interact. energy: -1.836
local terms energy: -192.481973
where:
bonds (distance) C4'-P energy: -40.174
bonds (distance) P-C4' energy: -44.849
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -42.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -423.429635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.429635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.429635 (E_RNA)
where:
Base-Base interactions energy: -258.580
where: short stacking energy: -105.774
Base-Backbone interact. energy: -2.433
local terms energy: -162.416394
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -41.166
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -338.867332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.867332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.867332 (E_RNA)
where:
Base-Base interactions energy: -197.899
where: short stacking energy: -101.176
Base-Backbone interact. energy: -1.444
local terms energy: -139.524678
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -36.825
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -369.145186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.145186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.145186 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -114.231
Base-Backbone interact. energy: 3.026
local terms energy: -158.938066
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -40.073
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -180.012667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.012667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.012667 (E_RNA)
where:
Base-Base interactions energy: -67.537
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.422
local terms energy: -112.053298
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -745.710424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.710424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.710424 (E_RNA)
where:
Base-Base interactions energy: -502.957
where: short stacking energy: -221.201
Base-Backbone interact. energy: -1.424
local terms energy: -241.329406
where:
bonds (distance) C4'-P energy: -43.829
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -67.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -689.466065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.466065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.466065 (E_RNA)
where:
Base-Base interactions energy: -464.485
where: short stacking energy: -212.423
Base-Backbone interact. energy: -0.199
local terms energy: -224.782621
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -49.625
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -66.239
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: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -649.520857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.520857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.520857 (E_RNA)
where:
Base-Base interactions energy: -424.532
where: short stacking energy: -181.444
Base-Backbone interact. energy: -0.151
local terms energy: -224.837421
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -46.167
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -60.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -579.077882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.077882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.077882 (E_RNA)
where:
Base-Base interactions energy: -367.236
where: short stacking energy: -161.699
Base-Backbone interact. energy: -0.806
local terms energy: -211.036199
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -522.194179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.194179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.194179 (E_RNA)
where:
Base-Base interactions energy: -339.743
where: short stacking energy: -149.100
Base-Backbone interact. energy: -0.338
local terms energy: -182.113712
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -43.816
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -41.652
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: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -442.504788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.504788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.504788 (E_RNA)
where:
Base-Base interactions energy: -275.291
where: short stacking energy: -149.460
Base-Backbone interact. energy: -0.562
local terms energy: -166.652110
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -24.221
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: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -361.263224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.263224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.263224 (E_RNA)
where:
Base-Base interactions energy: -215.930
where: short stacking energy: -103.555
Base-Backbone interact. energy: -1.214
local terms energy: -144.119170
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -382.786751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.786751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.786751 (E_RNA)
where:
Base-Base interactions energy: -236.974
where: short stacking energy: -104.966
Base-Backbone interact. energy: -0.134
local terms energy: -145.679234
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -374.146343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.146343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.146343 (E_RNA)
where:
Base-Base interactions energy: -217.807
where: short stacking energy: -99.923
Base-Backbone interact. energy: -0.748
local terms energy: -155.591625
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -207.920799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.920799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.920799 (E_RNA)
where:
Base-Base interactions energy: -89.638
where: short stacking energy: -59.870
Base-Backbone interact. energy: -1.519
local terms energy: -116.763712
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -741.534977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.534977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.534977 (E_RNA)
where:
Base-Base interactions energy: -500.214
where: short stacking energy: -228.908
Base-Backbone interact. energy: -1.881
local terms energy: -239.439409
where:
bonds (distance) C4'-P energy: -37.904
bonds (distance) P-C4' energy: -43.596
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -70.500
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -705.476932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.476932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.476932 (E_RNA)
where:
Base-Base interactions energy: -462.459
where: short stacking energy: -208.162
Base-Backbone interact. energy: -0.615
local terms energy: -242.403285
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -46.367
flat angles C4'-P-C4' energy: -50.333
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -64.711
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -655.192808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.192808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.192808 (E_RNA)
where:
Base-Base interactions energy: -432.633
where: short stacking energy: -194.479
Base-Backbone interact. energy: -0.375
local terms energy: -222.184808
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -42.836
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -61.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -567.284245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.284245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.284245 (E_RNA)
where:
Base-Base interactions energy: -380.795
where: short stacking energy: -170.703
Base-Backbone interact. energy: 0.633
local terms energy: -187.122031
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -515.361330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.361330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.361330 (E_RNA)
where:
Base-Base interactions energy: -334.446
where: short stacking energy: -155.279
Base-Backbone interact. energy: 1.125
local terms energy: -182.040481
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -49.332
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -472.860239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.860239 (E_RNA)
where:
Base-Base interactions energy: -282.446
where: short stacking energy: -139.513
Base-Backbone interact. energy: -0.248
local terms energy: -190.165719
where:
bonds (distance) C4'-P energy: -39.411
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -42.967
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -38.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -369.670422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.670422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.670422 (E_RNA)
where:
Base-Base interactions energy: -208.287
where: short stacking energy: -112.610
Base-Backbone interact. energy: -1.506
local terms energy: -159.876748
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: -20.460
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: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -400.326129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.326129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.326129 (E_RNA)
where:
Base-Base interactions energy: -254.430
where: short stacking energy: -111.745
Base-Backbone interact. energy: 0.823
local terms energy: -146.718956
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -45.748
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -360.702361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.702361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.702361 (E_RNA)
where:
Base-Base interactions energy: -217.357
where: short stacking energy: -93.632
Base-Backbone interact. energy: -1.868
local terms energy: -141.476773
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -204.332919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.332919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.332919 (E_RNA)
where:
Base-Base interactions energy: -93.009
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.721
local terms energy: -110.602410
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -42.440
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -747.439397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.439397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.439397 (E_RNA)
where:
Base-Base interactions energy: -516.806
where: short stacking energy: -224.887
Base-Backbone interact. energy: -0.043
local terms energy: -230.590106
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -43.462
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -67.676
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: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -685.266491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.266491 (E_RNA)
where:
Base-Base interactions energy: -456.971
where: short stacking energy: -206.464
Base-Backbone interact. energy: -0.590
local terms energy: -227.705459
where:
bonds (distance) C4'-P energy: -40.301
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -32.111
tors. eta vs tors. theta energy: -62.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -667.463749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.463749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.463749 (E_RNA)
where:
Base-Base interactions energy: -447.416
where: short stacking energy: -199.547
Base-Backbone interact. energy: -0.887
local terms energy: -219.160397
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -41.513
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -63.285
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -589.898640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.898640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.898640 (E_RNA)
where:
Base-Base interactions energy: -384.709
where: short stacking energy: -179.113
Base-Backbone interact. energy: -1.062
local terms energy: -204.127359
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -47.600
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -50.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -554.429099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.429099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.429099 (E_RNA)
where:
Base-Base interactions energy: -350.944
where: short stacking energy: -170.324
Base-Backbone interact. energy: -0.436
local terms energy: -203.048551
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -48.588
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -44.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -559.061343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.061343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.061343 (E_RNA)
where:
Base-Base interactions energy: -358.745
where: short stacking energy: -147.195
Base-Backbone interact. energy: -0.400
local terms energy: -199.916646
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -47.430
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -47.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -392.343844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.343844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.343844 (E_RNA)
where:
Base-Base interactions energy: -248.818
where: short stacking energy: -121.030
Base-Backbone interact. energy: -0.315
local terms energy: -143.210455
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -3.909
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: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -371.098459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.098459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.098459 (E_RNA)
where:
Base-Base interactions energy: -211.828
where: short stacking energy: -95.398
Base-Backbone interact. energy: 3.310
local terms energy: -162.581374
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -38.581
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -371.043649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.043649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.043649 (E_RNA)
where:
Base-Base interactions energy: -222.560
where: short stacking energy: -108.349
Base-Backbone interact. energy: -1.300
local terms energy: -147.182764
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -189.876762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.876762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.876762 (E_RNA)
where:
Base-Base interactions energy: -64.006
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.744
local terms energy: -125.126684
where:
bonds (distance) C4'-P energy: -37.719
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -743.189496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.189496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.189496 (E_RNA)
where:
Base-Base interactions energy: -504.627
where: short stacking energy: -221.612
Base-Backbone interact. energy: -1.275
local terms energy: -237.287600
where:
bonds (distance) C4'-P energy: -36.234
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -70.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -684.187687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.187687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.187687 (E_RNA)
where:
Base-Base interactions energy: -438.164
where: short stacking energy: -209.770
Base-Backbone interact. energy: -0.109
local terms energy: -245.914847
where:
bonds (distance) C4'-P energy: -48.427
bonds (distance) P-C4' energy: -47.237
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -72.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -654.732788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.732788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.732788 (E_RNA)
where:
Base-Base interactions energy: -446.932
where: short stacking energy: -204.114
Base-Backbone interact. energy: -0.364
local terms energy: -207.437534
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -65.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -575.459792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.459792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.459792 (E_RNA)
where:
Base-Base interactions energy: -375.551
where: short stacking energy: -174.702
Base-Backbone interact. energy: -0.592
local terms energy: -199.317591
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -45.811
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -45.665
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: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -558.842520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.842520 (E_RNA)
where:
Base-Base interactions energy: -369.896
where: short stacking energy: -164.951
Base-Backbone interact. energy: -0.266
local terms energy: -188.680168
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -25.763
tors. eta vs tors. theta energy: -50.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -551.519539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.519539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.519539 (E_RNA)
where:
Base-Base interactions energy: -365.401
where: short stacking energy: -159.646
Base-Backbone interact. energy: 1.824
local terms energy: -187.942540
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -51.494
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -411.369960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.369960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.369960 (E_RNA)
where:
Base-Base interactions energy: -250.714
where: short stacking energy: -106.010
Base-Backbone interact. energy: -0.009
local terms energy: -160.647179
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -35.378
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -17.870
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: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -384.188197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.188197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.188197 (E_RNA)
where:
Base-Base interactions energy: -249.483
where: short stacking energy: -120.417
Base-Backbone interact. energy: 0.084
local terms energy: -134.789854
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -328.096451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.096451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.096451 (E_RNA)
where:
Base-Base interactions energy: -170.387
where: short stacking energy: -104.993
Base-Backbone interact. energy: -0.850
local terms energy: -156.859054
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -208.776655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.776655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.776655 (E_RNA)
where:
Base-Base interactions energy: -105.214
where: short stacking energy: -48.908
Base-Backbone interact. energy: 0.305
local terms energy: -103.868059
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -734.698153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.698153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.698153 (E_RNA)
where:
Base-Base interactions energy: -494.081
where: short stacking energy: -224.941
Base-Backbone interact. energy: 0.278
local terms energy: -240.895749
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -44.081
flat angles C4'-P-C4' energy: -51.592
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -71.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -702.519342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.519342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.519342 (E_RNA)
where:
Base-Base interactions energy: -473.435
where: short stacking energy: -220.473
Base-Backbone interact. energy: 0.352
local terms energy: -229.435791
where:
bonds (distance) C4'-P energy: -44.574
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -74.518
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: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -648.928692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.928692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.928692 (E_RNA)
where:
Base-Base interactions energy: -424.755
where: short stacking energy: -197.099
Base-Backbone interact. energy: -0.348
local terms energy: -223.825793
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -34.154
tors. eta vs tors. theta energy: -62.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -575.000667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.000667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.000667 (E_RNA)
where:
Base-Base interactions energy: -371.618
where: short stacking energy: -176.486
Base-Backbone interact. energy: -0.783
local terms energy: -202.599218
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -42.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -563.595299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.595299 (E_RNA)
where:
Base-Base interactions energy: -376.915
where: short stacking energy: -162.648
Base-Backbone interact. energy: -0.172
local terms energy: -186.508340
where:
bonds (distance) C4'-P energy: -42.309
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -44.842
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -45.454
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -510.779462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.779462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.779462 (E_RNA)
where:
Base-Base interactions energy: -324.338
where: short stacking energy: -153.674
Base-Backbone interact. energy: -0.736
local terms energy: -185.706047
where:
bonds (distance) C4'-P energy: -39.164
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: -37.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -404.615724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.615724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.615724 (E_RNA)
where:
Base-Base interactions energy: -248.929
where: short stacking energy: -126.155
Base-Backbone interact. energy: -0.327
local terms energy: -155.359881
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -389.622446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.622446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.622446 (E_RNA)
where:
Base-Base interactions energy: -233.443
where: short stacking energy: -114.935
Base-Backbone interact. energy: 3.748
local terms energy: -159.927448
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -32.918
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -308.621262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.621262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.621262 (E_RNA)
where:
Base-Base interactions energy: -184.016
where: short stacking energy: -81.712
Base-Backbone interact. energy: -1.172
local terms energy: -123.433561
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -226.588592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.588592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.588592 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -67.998
Base-Backbone interact. energy: 1.862
local terms energy: -127.951073
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -43.044
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: 9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -734.473152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.473152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.473152 (E_RNA)
where:
Base-Base interactions energy: -500.380
where: short stacking energy: -223.881
Base-Backbone interact. energy: -1.009
local terms energy: -233.083672
where:
bonds (distance) C4'-P energy: -42.345
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: -70.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -703.079567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.079567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.079567 (E_RNA)
where:
Base-Base interactions energy: -472.983
where: short stacking energy: -222.815
Base-Backbone interact. energy: 3.436
local terms energy: -233.532964
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -45.477
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -73.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -656.598086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.598086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.598086 (E_RNA)
where:
Base-Base interactions energy: -433.049
where: short stacking energy: -190.555
Base-Backbone interact. energy: -0.940
local terms energy: -222.608825
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -47.145
flat angles P-C4'-P energy: -30.041
tors. eta vs tors. theta energy: -61.810
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -602.651682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.651682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.651682 (E_RNA)
where:
Base-Base interactions energy: -395.387
where: short stacking energy: -175.698
Base-Backbone interact. energy: -0.823
local terms energy: -206.442175
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -46.086
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -549.600661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.600661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.600661 (E_RNA)
where:
Base-Base interactions energy: -364.579
where: short stacking energy: -163.010
Base-Backbone interact. energy: -0.996
local terms energy: -184.025919
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -42.927
flat angles C4'-P-C4' energy: -43.953
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -525.782165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.782165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.782165 (E_RNA)
where:
Base-Base interactions energy: -342.070
where: short stacking energy: -159.644
Base-Backbone interact. energy: -0.043
local terms energy: -183.668558
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -43.281
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: 277
Temperature: 1.200000
Total energy: -407.158252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.158252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.158252 (E_RNA)
where:
Base-Base interactions energy: -250.074
where: short stacking energy: -125.200
Base-Backbone interact. energy: 2.069
local terms energy: -159.153755
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -351.798693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.798693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.798693 (E_RNA)
where:
Base-Base interactions energy: -203.714
where: short stacking energy: -94.946
Base-Backbone interact. energy: 2.973
local terms energy: -151.057752
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -372.510191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.510191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.510191 (E_RNA)
where:
Base-Base interactions energy: -234.523
where: short stacking energy: -109.332
Base-Backbone interact. energy: -1.085
local terms energy: -136.901557
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -233.244185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.244185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.244185 (E_RNA)
where:
Base-Base interactions energy: -112.701
where: short stacking energy: -70.208
Base-Backbone interact. energy: 0.495
local terms energy: -121.038424
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -738.668188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.668188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.668188 (E_RNA)
where:
Base-Base interactions energy: -497.813
where: short stacking energy: -217.153
Base-Backbone interact. energy: -0.459
local terms energy: -240.395752
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -71.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -702.510795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.510795 (E_RNA)
where:
Base-Base interactions energy: -469.720
where: short stacking energy: -221.031
Base-Backbone interact. energy: -0.672
local terms energy: -232.118920
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -75.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -627.290884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.290884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.290884 (E_RNA)
where:
Base-Base interactions energy: -405.963
where: short stacking energy: -185.105
Base-Backbone interact. energy: -0.149
local terms energy: -221.179359
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -48.809
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -53.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -650.035112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.035112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.035112 (E_RNA)
where:
Base-Base interactions energy: -434.720
where: short stacking energy: -200.083
Base-Backbone interact. energy: -0.734
local terms energy: -214.580989
where:
bonds (distance) C4'-P energy: -38.713
bonds (distance) P-C4' energy: -40.816
flat angles C4'-P-C4' energy: -40.170
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -65.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -572.525681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.525681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.525681 (E_RNA)
where:
Base-Base interactions energy: -375.693
where: short stacking energy: -174.299
Base-Backbone interact. energy: -0.040
local terms energy: -196.792211
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -45.768
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: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -507.846258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.846258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.846258 (E_RNA)
where:
Base-Base interactions energy: -308.776
where: short stacking energy: -147.298
Base-Backbone interact. energy: -0.125
local terms energy: -198.945105
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -49.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -429.536536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.536536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.536536 (E_RNA)
where:
Base-Base interactions energy: -250.815
where: short stacking energy: -121.638
Base-Backbone interact. energy: -0.252
local terms energy: -178.469081
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -44.931
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -31.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -321.070853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.070853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.070853 (E_RNA)
where:
Base-Base interactions energy: -186.901
where: short stacking energy: -94.776
Base-Backbone interact. energy: -0.850
local terms energy: -133.319478
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -41.537
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -385.684884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.684884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.684884 (E_RNA)
where:
Base-Base interactions energy: -230.454
where: short stacking energy: -123.190
Base-Backbone interact. energy: -1.277
local terms energy: -153.953085
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -29.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -194.445519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.445519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.445519 (E_RNA)
where:
Base-Base interactions energy: -81.368
where: short stacking energy: -60.823
Base-Backbone interact. energy: 0.479
local terms energy: -113.556670
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -36.236
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -731.599468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.599468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.599468 (E_RNA)
where:
Base-Base interactions energy: -499.939
where: short stacking energy: -221.856
Base-Backbone interact. energy: -0.322
local terms energy: -231.338294
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -38.347
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -64.638
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: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -695.379516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.379516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.379516 (E_RNA)
where:
Base-Base interactions energy: -462.294
where: short stacking energy: -220.912
Base-Backbone interact. energy: -0.697
local terms energy: -232.388381
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -46.973
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -63.304
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: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -615.265235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.265235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.265235 (E_RNA)
where:
Base-Base interactions energy: -402.248
where: short stacking energy: -177.786
Base-Backbone interact. energy: 0.161
local terms energy: -213.177982
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -52.894
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -663.999617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.999617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.999617 (E_RNA)
where:
Base-Base interactions energy: -455.800
where: short stacking energy: -194.936
Base-Backbone interact. energy: -1.140
local terms energy: -207.059999
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -62.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -568.957628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.957628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.957628 (E_RNA)
where:
Base-Base interactions energy: -380.269
where: short stacking energy: -179.281
Base-Backbone interact. energy: -0.281
local terms energy: -188.407553
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -41.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -501.398704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.398704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.398704 (E_RNA)
where:
Base-Base interactions energy: -325.816
where: short stacking energy: -156.896
Base-Backbone interact. energy: -0.079
local terms energy: -175.504065
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -37.892
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -408.517391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.517391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.517391 (E_RNA)
where:
Base-Base interactions energy: -241.261
where: short stacking energy: -128.781
Base-Backbone interact. energy: 2.535
local terms energy: -169.791580
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -25.881
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: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -427.715984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.715984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.715984 (E_RNA)
where:
Base-Base interactions energy: -270.469
where: short stacking energy: -115.787
Base-Backbone interact. energy: -0.072
local terms energy: -157.174417
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -299.887660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.887660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.887660 (E_RNA)
where:
Base-Base interactions energy: -146.441
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.783
local terms energy: -152.663972
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -201.443969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.443969 (E_RNA)
where:
Base-Base interactions energy: -87.087
where: short stacking energy: -66.282
Base-Backbone interact. energy: 1.039
local terms energy: -115.395262
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -732.399520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.399520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.399520 (E_RNA)
where:
Base-Base interactions energy: -495.525
where: short stacking energy: -214.249
Base-Backbone interact. energy: -0.149
local terms energy: -236.725024
where:
bonds (distance) C4'-P energy: -43.765
bonds (distance) P-C4' energy: -39.997
flat angles C4'-P-C4' energy: -52.303
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -69.270
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -700.758915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.758915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.758915 (E_RNA)
where:
Base-Base interactions energy: -476.347
where: short stacking energy: -227.848
Base-Backbone interact. energy: -1.046
local terms energy: -223.365545
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -41.648
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -71.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -663.637787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.637787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.637787 (E_RNA)
where:
Base-Base interactions energy: -437.096
where: short stacking energy: -207.938
Base-Backbone interact. energy: -0.278
local terms energy: -226.263905
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -47.440
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: -64.885
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: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -610.076427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.076427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.076427 (E_RNA)
where:
Base-Base interactions energy: -404.325
where: short stacking energy: -184.223
Base-Backbone interact. energy: -0.846
local terms energy: -204.905308
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -44.380
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -54.738
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -561.475566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.475566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.475566 (E_RNA)
where:
Base-Base interactions energy: -381.823
where: short stacking energy: -174.647
Base-Backbone interact. energy: -1.968
local terms energy: -177.683932
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -42.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -499.159884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.159884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.159884 (E_RNA)
where:
Base-Base interactions energy: -315.307
where: short stacking energy: -153.607
Base-Backbone interact. energy: -0.332
local terms energy: -183.520239
where:
bonds (distance) C4'-P energy: -36.350
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -35.551
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -416.694663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.694663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.694663 (E_RNA)
where:
Base-Base interactions energy: -243.630
where: short stacking energy: -132.292
Base-Backbone interact. energy: -1.065
local terms energy: -171.999178
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -388.687771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.687771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.687771 (E_RNA)
where:
Base-Base interactions energy: -226.298
where: short stacking energy: -108.237
Base-Backbone interact. energy: -0.206
local terms energy: -162.183136
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -29.281
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: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -289.972382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.972382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.972382 (E_RNA)
where:
Base-Base interactions energy: -156.926
where: short stacking energy: -87.210
Base-Backbone interact. energy: -1.067
local terms energy: -131.978643
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -184.075871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.075871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.075871 (E_RNA)
where:
Base-Base interactions energy: -65.256
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.521
local terms energy: -118.298728
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: 5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -731.655807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.655807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.655807 (E_RNA)
where:
Base-Base interactions energy: -505.267
where: short stacking energy: -219.868
Base-Backbone interact. energy: -2.160
local terms energy: -224.228993
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -707.597550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.597550 (E_RNA)
where:
Base-Base interactions energy: -471.862
where: short stacking energy: -219.374
Base-Backbone interact. energy: -1.286
local terms energy: -234.449243
where:
bonds (distance) C4'-P energy: -40.906
bonds (distance) P-C4' energy: -47.119
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -72.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -654.422576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.422576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.422576 (E_RNA)
where:
Base-Base interactions energy: -450.841
where: short stacking energy: -203.329
Base-Backbone interact. energy: -0.411
local terms energy: -203.170058
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -60.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -589.914978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.914978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.914978 (E_RNA)
where:
Base-Base interactions energy: -397.049
where: short stacking energy: -186.817
Base-Backbone interact. energy: -0.779
local terms energy: -192.086589
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -41.490
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -586.029329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.029329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.029329 (E_RNA)
where:
Base-Base interactions energy: -396.753
where: short stacking energy: -166.559
Base-Backbone interact. energy: -0.303
local terms energy: -188.973858
where:
bonds (distance) C4'-P energy: -39.015
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -41.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -492.183407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.183407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.183407 (E_RNA)
where:
Base-Base interactions energy: -307.288
where: short stacking energy: -153.848
Base-Backbone interact. energy: -0.190
local terms energy: -184.705531
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -44.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -421.798692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.798692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.798692 (E_RNA)
where:
Base-Base interactions energy: -251.730
where: short stacking energy: -121.448
Base-Backbone interact. energy: -1.088
local terms energy: -168.980655
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -30.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -406.023807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.023807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.023807 (E_RNA)
where:
Base-Base interactions energy: -249.421
where: short stacking energy: -113.530
Base-Backbone interact. energy: -0.497
local terms energy: -156.106015
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -332.850899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.850899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.850899 (E_RNA)
where:
Base-Base interactions energy: -195.007
where: short stacking energy: -110.186
Base-Backbone interact. energy: -0.823
local terms energy: -137.020140
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -22.853
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: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -189.531814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.531814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.531814 (E_RNA)
where:
Base-Base interactions energy: -72.264
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.863
local terms energy: -116.404355
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -36.767
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -729.445958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.445958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.445958 (E_RNA)
where:
Base-Base interactions energy: -506.249
where: short stacking energy: -215.736
Base-Backbone interact. energy: -1.345
local terms energy: -221.852686
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -41.825
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -60.833
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: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -716.987212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.987212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.987212 (E_RNA)
where:
Base-Base interactions energy: -486.505
where: short stacking energy: -222.709
Base-Backbone interact. energy: -0.013
local terms energy: -230.469988
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -43.421
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -68.414
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -604.940077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.940077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.940077 (E_RNA)
where:
Base-Base interactions energy: -391.628
where: short stacking energy: -174.221
Base-Backbone interact. energy: 0.720
local terms energy: -214.031672
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -43.071
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -48.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -655.063985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.063985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.063985 (E_RNA)
where:
Base-Base interactions energy: -445.429
where: short stacking energy: -198.041
Base-Backbone interact. energy: -0.151
local terms energy: -209.483665
where:
bonds (distance) C4'-P energy: -39.018
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -43.453
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -60.274
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: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -587.301149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.301149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.301149 (E_RNA)
where:
Base-Base interactions energy: -374.039
where: short stacking energy: -158.163
Base-Backbone interact. energy: 4.394
local terms energy: -217.656400
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -52.136
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -505.214260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.214260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.214260 (E_RNA)
where:
Base-Base interactions energy: -323.283
where: short stacking energy: -161.433
Base-Backbone interact. energy: -0.937
local terms energy: -180.994486
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -40.371
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -387.881396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.881396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.881396 (E_RNA)
where:
Base-Base interactions energy: -216.559
where: short stacking energy: -126.165
Base-Backbone interact. energy: -0.366
local terms energy: -170.956027
where:
bonds (distance) C4'-P energy: -32.584
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -373.524284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.524284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.524284 (E_RNA)
where:
Base-Base interactions energy: -232.576
where: short stacking energy: -102.182
Base-Backbone interact. energy: 0.740
local terms energy: -141.688413
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -314.334714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.334714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.334714 (E_RNA)
where:
Base-Base interactions energy: -169.557
where: short stacking energy: -90.475
Base-Backbone interact. energy: -0.652
local terms energy: -144.125530
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -198.327781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.327781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.327781 (E_RNA)
where:
Base-Base interactions energy: -77.827
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.557
local terms energy: -119.943629
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -723.690798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.690798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.690798 (E_RNA)
where:
Base-Base interactions energy: -494.730
where: short stacking energy: -208.556
Base-Backbone interact. energy: -0.491
local terms energy: -228.469200
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -45.149
flat angles C4'-P-C4' energy: -49.058
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -60.923
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: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -712.475615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.475615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.475615 (E_RNA)
where:
Base-Base interactions energy: -481.994
where: short stacking energy: -226.972
Base-Backbone interact. energy: -0.710
local terms energy: -229.771818
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -47.976
flat angles P-C4'-P energy: -36.577
tors. eta vs tors. theta energy: -71.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -600.843469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.843469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.843469 (E_RNA)
where:
Base-Base interactions energy: -390.769
where: short stacking energy: -183.660
Base-Backbone interact. energy: -0.905
local terms energy: -209.169286
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -50.580
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: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -639.380407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.380407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.380407 (E_RNA)
where:
Base-Base interactions energy: -425.411
where: short stacking energy: -196.924
Base-Backbone interact. energy: -1.734
local terms energy: -212.235196
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -46.122
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -568.967926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.967926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.967926 (E_RNA)
where:
Base-Base interactions energy: -383.853
where: short stacking energy: -153.330
Base-Backbone interact. energy: 1.383
local terms energy: -186.497629
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -43.166
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: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -499.231620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.231620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.231620 (E_RNA)
where:
Base-Base interactions energy: -307.072
where: short stacking energy: -158.272
Base-Backbone interact. energy: -0.348
local terms energy: -191.810781
where:
bonds (distance) C4'-P energy: -39.100
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -48.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -373.642449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.642449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.642449 (E_RNA)
where:
Base-Base interactions energy: -189.852
where: short stacking energy: -98.339
Base-Backbone interact. energy: -1.793
local terms energy: -181.996770
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -44.683
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -389.179300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.179300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.179300 (E_RNA)
where:
Base-Base interactions energy: -225.958
where: short stacking energy: -110.260
Base-Backbone interact. energy: 2.810
local terms energy: -166.031404
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -45.616
flat angles P-C4'-P energy: -23.362
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: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -318.115361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.115361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.115361 (E_RNA)
where:
Base-Base interactions energy: -188.850
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.539
local terms energy: -128.726533
where:
bonds (distance) C4'-P energy: -34.786
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -182.253141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.253141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.253141 (E_RNA)
where:
Base-Base interactions energy: -78.719
where: short stacking energy: -65.578
Base-Backbone interact. energy: 2.889
local terms energy: -106.422955
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -711.589085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.589085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.589085 (E_RNA)
where:
Base-Base interactions energy: -476.244
where: short stacking energy: -213.426
Base-Backbone interact. energy: -0.572
local terms energy: -234.773188
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -720.064745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.064745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.064745 (E_RNA)
where:
Base-Base interactions energy: -507.146
where: short stacking energy: -218.786
Base-Backbone interact. energy: 0.381
local terms energy: -213.299841
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -43.087
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -64.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -664.573311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.573311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.573311 (E_RNA)
where:
Base-Base interactions energy: -434.300
where: short stacking energy: -204.666
Base-Backbone interact. energy: 0.023
local terms energy: -230.295753
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -45.209
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -66.468
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: 284
Temperature: 1.050000
Total energy: -583.139540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.139540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.139540 (E_RNA)
where:
Base-Base interactions energy: -379.535
where: short stacking energy: -185.705
Base-Backbone interact. energy: 0.709
local terms energy: -204.313284
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -33.501
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: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -567.826724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.826724 (E_RNA)
where:
Base-Base interactions energy: -383.469
where: short stacking energy: -181.418
Base-Backbone interact. energy: 1.773
local terms energy: -186.131441
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -40.580
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -43.516
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -490.996154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.996154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.996154 (E_RNA)
where:
Base-Base interactions energy: -319.479
where: short stacking energy: -153.816
Base-Backbone interact. energy: 0.271
local terms energy: -171.787486
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -44.326
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -42.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -404.793798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.793798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.793798 (E_RNA)
where:
Base-Base interactions energy: -251.662
where: short stacking energy: -122.386
Base-Backbone interact. energy: 0.145
local terms energy: -153.276526
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -45.559
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -345.021550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.021550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.021550 (E_RNA)
where:
Base-Base interactions energy: -206.892
where: short stacking energy: -94.782
Base-Backbone interact. energy: -0.676
local terms energy: -137.454396
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -316.748589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.748589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.748589 (E_RNA)
where:
Base-Base interactions energy: -171.428
where: short stacking energy: -75.647
Base-Backbone interact. energy: 0.041
local terms energy: -145.361255
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -186.464426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.464426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.464426 (E_RNA)
where:
Base-Base interactions energy: -67.760
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.882
local terms energy: -117.822109
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: 11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -717.706881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.706881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.706881 (E_RNA)
where:
Base-Base interactions energy: -483.422
where: short stacking energy: -204.955
Base-Backbone interact. energy: 2.310
local terms energy: -236.594721
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -46.359
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -67.917
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -730.733970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.733970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.733970 (E_RNA)
where:
Base-Base interactions energy: -495.840
where: short stacking energy: -221.245
Base-Backbone interact. energy: -1.329
local terms energy: -233.565430
where:
bonds (distance) C4'-P energy: -44.007
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -46.083
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -68.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -655.324774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.324774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.324774 (E_RNA)
where:
Base-Base interactions energy: -443.529
where: short stacking energy: -204.035
Base-Backbone interact. energy: -0.168
local terms energy: -211.628418
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -41.401
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -30.241
tors. eta vs tors. theta energy: -63.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -600.208731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.208731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.208731 (E_RNA)
where:
Base-Base interactions energy: -405.073
where: short stacking energy: -182.691
Base-Backbone interact. energy: -0.644
local terms energy: -194.491286
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -39.406
flat angles C4'-P-C4' energy: -44.481
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -46.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -558.161050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.161050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.161050 (E_RNA)
where:
Base-Base interactions energy: -350.716
where: short stacking energy: -163.987
Base-Backbone interact. energy: -0.753
local terms energy: -206.691939
where:
bonds (distance) C4'-P energy: -42.859
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -51.400
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -491.214641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.214641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.214641 (E_RNA)
where:
Base-Base interactions energy: -313.878
where: short stacking energy: -155.074
Base-Backbone interact. energy: -0.445
local terms energy: -176.892023
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -36.408
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -38.777
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -409.296235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.296235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.296235 (E_RNA)
where:
Base-Base interactions energy: -247.572
where: short stacking energy: -126.950
Base-Backbone interact. energy: -1.051
local terms energy: -160.673747
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -31.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -385.055977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.055977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.055977 (E_RNA)
where:
Base-Base interactions energy: -228.544
where: short stacking energy: -110.683
Base-Backbone interact. energy: 1.247
local terms energy: -157.758639
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -40.720
flat angles C4'-P-C4' energy: -36.189
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -331.907357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.907357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.907357 (E_RNA)
where:
Base-Base interactions energy: -200.359
where: short stacking energy: -88.936
Base-Backbone interact. energy: 2.704
local terms energy: -134.253070
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -39.271
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -189.193321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.193321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.193321 (E_RNA)
where:
Base-Base interactions energy: -69.900
where: short stacking energy: -59.467
Base-Backbone interact. energy: 2.687
local terms energy: -121.980166
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -39.861
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -737.251816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.251816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.251816 (E_RNA)
where:
Base-Base interactions energy: -508.612
where: short stacking energy: -231.391
Base-Backbone interact. energy: -1.632
local terms energy: -227.008157
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -70.704
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: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -694.873538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.873538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.873538 (E_RNA)
where:
Base-Base interactions energy: -466.670
where: short stacking energy: -214.907
Base-Backbone interact. energy: 0.546
local terms energy: -228.749801
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: -67.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -672.174115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.174115 (E_RNA)
where:
Base-Base interactions energy: -455.462
where: short stacking energy: -210.137
Base-Backbone interact. energy: -0.102
local terms energy: -216.610171
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -45.277
flat angles C4'-P-C4' energy: -42.006
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -64.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -593.406289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.406289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.406289 (E_RNA)
where:
Base-Base interactions energy: -395.713
where: short stacking energy: -175.105
Base-Backbone interact. energy: -0.988
local terms energy: -196.705439
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -42.773
flat angles C4'-P-C4' energy: -42.575
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -45.391
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -562.875685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.875685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.875685 (E_RNA)
where:
Base-Base interactions energy: -366.108
where: short stacking energy: -162.835
Base-Backbone interact. energy: 2.941
local terms energy: -199.709300
where:
bonds (distance) C4'-P energy: -45.059
bonds (distance) P-C4' energy: -43.725
flat angles C4'-P-C4' energy: -42.138
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -42.450
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: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -526.209784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.209784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.209784 (E_RNA)
where:
Base-Base interactions energy: -339.641
where: short stacking energy: -162.629
Base-Backbone interact. energy: -0.106
local terms energy: -186.462785
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -43.379
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: 286
Temperature: 1.200000
Total energy: -423.161410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.161410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.161410 (E_RNA)
where:
Base-Base interactions energy: -247.309
where: short stacking energy: -112.585
Base-Backbone interact. energy: -0.292
local terms energy: -175.560371
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -41.348
flat angles C4'-P-C4' energy: -48.762
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -393.990921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.990921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.990921 (E_RNA)
where:
Base-Base interactions energy: -258.941
where: short stacking energy: -117.913
Base-Backbone interact. energy: -1.086
local terms energy: -133.964516
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -25.651
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: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -299.120417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.120417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.120417 (E_RNA)
where:
Base-Base interactions energy: -153.779
where: short stacking energy: -82.237
Base-Backbone interact. energy: -0.493
local terms energy: -144.848635
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -45.396
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -184.715486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.715486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.715486 (E_RNA)
where:
Base-Base interactions energy: -64.401
where: short stacking energy: -54.189
Base-Backbone interact. energy: -1.377
local terms energy: -118.937465
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -729.767075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.767075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.767075 (E_RNA)
where:
Base-Base interactions energy: -499.613
where: short stacking energy: -222.850
Base-Backbone interact. energy: -0.772
local terms energy: -229.381911
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -45.336
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -688.348080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.348080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.348080 (E_RNA)
where:
Base-Base interactions energy: -467.227
where: short stacking energy: -214.201
Base-Backbone interact. energy: 0.290
local terms energy: -221.410935
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -66.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -665.563723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.563723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.563723 (E_RNA)
where:
Base-Base interactions energy: -443.522
where: short stacking energy: -199.751
Base-Backbone interact. energy: -0.962
local terms energy: -221.079778
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -63.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -589.414986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.414986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.414986 (E_RNA)
where:
Base-Base interactions energy: -392.493
where: short stacking energy: -172.170
Base-Backbone interact. energy: -1.285
local terms energy: -195.636298
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -47.540
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -50.347
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -580.803065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.803065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.803065 (E_RNA)
where:
Base-Base interactions energy: -374.122
where: short stacking energy: -167.045
Base-Backbone interact. energy: -0.366
local terms energy: -206.315108
where:
bonds (distance) C4'-P energy: -41.884
bonds (distance) P-C4' energy: -42.843
flat angles C4'-P-C4' energy: -40.879
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -43.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -479.206905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.206905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.206905 (E_RNA)
where:
Base-Base interactions energy: -296.997
where: short stacking energy: -139.248
Base-Backbone interact. energy: 0.520
local terms energy: -182.730101
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -39.719
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -36.534
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -462.879801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.879801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.879801 (E_RNA)
where:
Base-Base interactions energy: -290.966
where: short stacking energy: -135.131
Base-Backbone interact. energy: -0.091
local terms energy: -171.822736
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -30.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -406.776522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.776522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.776522 (E_RNA)
where:
Base-Base interactions energy: -250.760
where: short stacking energy: -122.781
Base-Backbone interact. energy: -0.336
local terms energy: -155.680326
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -23.725
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: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -285.179872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.179872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.179872 (E_RNA)
where:
Base-Base interactions energy: -150.728
where: short stacking energy: -83.861
Base-Backbone interact. energy: 3.292
local terms energy: -137.743235
where:
bonds (distance) C4'-P energy: -41.320
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -180.164330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.164330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.164330 (E_RNA)
where:
Base-Base interactions energy: -59.583
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.461
local terms energy: -120.120602
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -741.727869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.727869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.727869 (E_RNA)
where:
Base-Base interactions energy: -504.913
where: short stacking energy: -230.229
Base-Backbone interact. energy: -0.008
local terms energy: -236.806957
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -44.349
flat angles C4'-P-C4' energy: -48.264
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -75.426
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: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -704.978648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.978648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.978648 (E_RNA)
where:
Base-Base interactions energy: -459.722
where: short stacking energy: -202.070
Base-Backbone interact. energy: -0.521
local terms energy: -244.735486
where:
bonds (distance) C4'-P energy: -47.865
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -53.382
flat angles P-C4'-P energy: -33.443
tors. eta vs tors. theta energy: -64.563
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: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -653.681715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.681715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.681715 (E_RNA)
where:
Base-Base interactions energy: -439.002
where: short stacking energy: -203.072
Base-Backbone interact. energy: -0.416
local terms energy: -214.263134
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -41.357
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -62.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -597.655487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.655487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.655487 (E_RNA)
where:
Base-Base interactions energy: -394.475
where: short stacking energy: -188.611
Base-Backbone interact. energy: -1.713
local terms energy: -201.467571
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -43.046
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -56.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -580.717582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.717582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.717582 (E_RNA)
where:
Base-Base interactions energy: -397.330
where: short stacking energy: -180.766
Base-Backbone interact. energy: -0.463
local terms energy: -182.924606
where:
bonds (distance) C4'-P energy: -33.371
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -35.483
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: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -504.738371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.738371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.738371 (E_RNA)
where:
Base-Base interactions energy: -322.629
where: short stacking energy: -157.726
Base-Backbone interact. energy: 0.517
local terms energy: -182.625709
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -40.627
flat angles P-C4'-P energy: -29.171
tors. eta vs tors. theta energy: -41.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -483.874889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.874889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.874889 (E_RNA)
where:
Base-Base interactions energy: -319.953
where: short stacking energy: -148.856
Base-Backbone interact. energy: 0.202
local terms energy: -164.123417
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -406.204470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.204470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.204470 (E_RNA)
where:
Base-Base interactions energy: -236.737
where: short stacking energy: -116.611
Base-Backbone interact. energy: 0.487
local terms energy: -169.953652
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -42.633
flat angles C4'-P-C4' energy: -39.496
flat angles P-C4'-P energy: -27.157
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -294.500284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.500284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.500284 (E_RNA)
where:
Base-Base interactions energy: -151.779
where: short stacking energy: -77.023
Base-Backbone interact. energy: -0.545
local terms energy: -142.175450
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -36.512
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -210.708010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.708010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.708010 (E_RNA)
where:
Base-Base interactions energy: -79.938
where: short stacking energy: -57.442
Base-Backbone interact. energy: 0.440
local terms energy: -131.209544
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -40.674
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -740.094332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.094332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.094332 (E_RNA)
where:
Base-Base interactions energy: -495.204
where: short stacking energy: -217.850
Base-Backbone interact. energy: -0.640
local terms energy: -244.250972
where:
bonds (distance) C4'-P energy: -46.124
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -687.172483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.172483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.172483 (E_RNA)
where:
Base-Base interactions energy: -460.374
where: short stacking energy: -214.382
Base-Backbone interact. energy: -1.616
local terms energy: -225.183121
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -46.149
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -72.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -688.875743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.875743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.875743 (E_RNA)
where:
Base-Base interactions energy: -459.232
where: short stacking energy: -220.869
Base-Backbone interact. energy: -0.498
local terms energy: -229.146226
where:
bonds (distance) C4'-P energy: -37.162
bonds (distance) P-C4' energy: -43.534
flat angles C4'-P-C4' energy: -49.378
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -71.109
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: 289
Temperature: 1.050000
Total energy: -586.469054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.469054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.469054 (E_RNA)
where:
Base-Base interactions energy: -373.853
where: short stacking energy: -170.610
Base-Backbone interact. energy: -0.562
local terms energy: -212.053817
where:
bonds (distance) C4'-P energy: -48.481
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -44.141
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -49.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -550.457804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.457804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.457804 (E_RNA)
where:
Base-Base interactions energy: -351.378
where: short stacking energy: -160.191
Base-Backbone interact. energy: -0.789
local terms energy: -198.290581
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -52.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -491.532531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.532531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.532531 (E_RNA)
where:
Base-Base interactions energy: -318.468
where: short stacking energy: -147.893
Base-Backbone interact. energy: -1.111
local terms energy: -171.953328
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -38.283
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: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -479.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.722033 (E_RNA)
where:
Base-Base interactions energy: -309.283
where: short stacking energy: -136.323
Base-Backbone interact. energy: -0.379
local terms energy: -170.059733
where:
bonds (distance) C4'-P energy: -39.080
bonds (distance) P-C4' energy: -40.982
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -34.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -393.652591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.652591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.652591 (E_RNA)
where:
Base-Base interactions energy: -243.863
where: short stacking energy: -118.438
Base-Backbone interact. energy: 2.325
local terms energy: -152.114801
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -43.609
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -334.558793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.558793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.558793 (E_RNA)
where:
Base-Base interactions energy: -181.136
where: short stacking energy: -107.590
Base-Backbone interact. energy: -0.891
local terms energy: -152.531295
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -188.350911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.350911 (E_RNA)
where:
Base-Base interactions energy: -61.259
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.012
local terms energy: -127.080266
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -731.874537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.874537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.874537 (E_RNA)
where:
Base-Base interactions energy: -498.972
where: short stacking energy: -216.988
Base-Backbone interact. energy: -0.695
local terms energy: -232.206654
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -40.003
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -69.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -681.655819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.655819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.655819 (E_RNA)
where:
Base-Base interactions energy: -475.145
where: short stacking energy: -203.202
Base-Backbone interact. energy: -0.703
local terms energy: -205.808056
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -33.713
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -64.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -683.152072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.152072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.152072 (E_RNA)
where:
Base-Base interactions energy: -466.364
where: short stacking energy: -217.606
Base-Backbone interact. energy: -0.249
local terms energy: -216.539470
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -41.726
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -70.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -584.585176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.585176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.585176 (E_RNA)
where:
Base-Base interactions energy: -388.436
where: short stacking energy: -190.803
Base-Backbone interact. energy: -3.901
local terms energy: -192.247541
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -52.829
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -573.678539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.678539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.678539 (E_RNA)
where:
Base-Base interactions energy: -393.852
where: short stacking energy: -177.711
Base-Backbone interact. energy: -1.728
local terms energy: -178.098562
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -39.996
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -468.805096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.805096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.805096 (E_RNA)
where:
Base-Base interactions energy: -291.839
where: short stacking energy: -129.258
Base-Backbone interact. energy: 0.079
local terms energy: -177.045060
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -434.322534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.322534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.322534 (E_RNA)
where:
Base-Base interactions energy: -271.509
where: short stacking energy: -138.346
Base-Backbone interact. energy: -0.419
local terms energy: -162.394317
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -43.534
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -29.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -392.904675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.904675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.904675 (E_RNA)
where:
Base-Base interactions energy: -244.958
where: short stacking energy: -121.467
Base-Backbone interact. energy: -0.351
local terms energy: -147.595486
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -37.570
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -26.302
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: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -361.826565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.826565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.826565 (E_RNA)
where:
Base-Base interactions energy: -201.086
where: short stacking energy: -116.575
Base-Backbone interact. energy: -0.456
local terms energy: -160.284501
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -27.095
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: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -178.870739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.870739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.870739 (E_RNA)
where:
Base-Base interactions energy: -56.540
where: short stacking energy: -56.540
Base-Backbone interact. energy: -0.632
local terms energy: -121.698342
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -44.815
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -742.192575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.192575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.192575 (E_RNA)
where:
Base-Base interactions energy: -506.171
where: short stacking energy: -236.377
Base-Backbone interact. energy: -0.552
local terms energy: -235.469840
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -42.374
flat angles P-C4'-P energy: -33.611
tors. eta vs tors. theta energy: -76.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -700.352473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.352473 (E_RNA)
where:
Base-Base interactions energy: -467.932
where: short stacking energy: -220.990
Base-Backbone interact. energy: -0.252
local terms energy: -232.168388
where:
bonds (distance) C4'-P energy: -41.473
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -72.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -687.623341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.623341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.623341 (E_RNA)
where:
Base-Base interactions energy: -464.407
where: short stacking energy: -208.951
Base-Backbone interact. energy: -0.469
local terms energy: -222.747308
where:
bonds (distance) C4'-P energy: -42.372
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -45.097
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -63.499
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: 291
Temperature: 1.050000
Total energy: -593.576409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.576409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.576409 (E_RNA)
where:
Base-Base interactions energy: -392.474
where: short stacking energy: -179.138
Base-Backbone interact. energy: -1.224
local terms energy: -199.877882
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -48.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -531.157310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.157310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.157310 (E_RNA)
where:
Base-Base interactions energy: -345.363
where: short stacking energy: -143.657
Base-Backbone interact. energy: -0.525
local terms energy: -185.268801
where:
bonds (distance) C4'-P energy: -40.869
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -40.997
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: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -480.270598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.270598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.270598 (E_RNA)
where:
Base-Base interactions energy: -309.927
where: short stacking energy: -150.764
Base-Backbone interact. energy: -0.066
local terms energy: -170.277546
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -38.165
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -433.285304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.285304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.285304 (E_RNA)
where:
Base-Base interactions energy: -267.531
where: short stacking energy: -121.646
Base-Backbone interact. energy: -0.879
local terms energy: -164.874878
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -384.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.044791 (E_RNA)
where:
Base-Base interactions energy: -241.002
where: short stacking energy: -121.029
Base-Backbone interact. energy: 1.104
local terms energy: -144.147231
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -330.247732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.247732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.247732 (E_RNA)
where:
Base-Base interactions energy: -187.940
where: short stacking energy: -98.049
Base-Backbone interact. energy: -0.426
local terms energy: -141.881377
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -191.691496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691496 (E_RNA)
where:
Base-Base interactions energy: -64.934
where: short stacking energy: -62.983
Base-Backbone interact. energy: 0.059
local terms energy: -126.815847
where:
bonds (distance) C4'-P energy: -38.334
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -729.637087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.637087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.637087 (E_RNA)
where:
Base-Base interactions energy: -492.790
where: short stacking energy: -216.543
Base-Backbone interact. energy: -1.318
local terms energy: -235.528304
where:
bonds (distance) C4'-P energy: -42.826
bonds (distance) P-C4' energy: -44.950
flat angles C4'-P-C4' energy: -43.408
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -69.047
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -707.902466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.902466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.902466 (E_RNA)
where:
Base-Base interactions energy: -492.415
where: short stacking energy: -221.006
Base-Backbone interact. energy: -0.037
local terms energy: -215.450122
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -37.942
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -64.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -605.935938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.935938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.935938 (E_RNA)
where:
Base-Base interactions energy: -400.087
where: short stacking energy: -172.356
Base-Backbone interact. energy: -0.419
local terms energy: -205.429747
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -46.507
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: 292
Temperature: 1.050000
Total energy: -655.197238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.197238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.197238 (E_RNA)
where:
Base-Base interactions energy: -430.595
where: short stacking energy: -201.823
Base-Backbone interact. energy: -0.384
local terms energy: -224.218138
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -40.384
flat angles C4'-P-C4' energy: -47.225
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -504.783321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.783321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.783321 (E_RNA)
where:
Base-Base interactions energy: -329.731
where: short stacking energy: -158.474
Base-Backbone interact. energy: 1.674
local terms energy: -176.727000
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -47.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -522.001634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.001634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.001634 (E_RNA)
where:
Base-Base interactions energy: -342.027
where: short stacking energy: -159.758
Base-Backbone interact. energy: 5.160
local terms energy: -185.134473
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -42.519
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -402.848610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.848610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.848610 (E_RNA)
where:
Base-Base interactions energy: -244.143
where: short stacking energy: -110.281
Base-Backbone interact. energy: -0.795
local terms energy: -157.910954
where:
bonds (distance) C4'-P energy: -41.929
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -429.920761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.920761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.920761 (E_RNA)
where:
Base-Base interactions energy: -268.574
where: short stacking energy: -112.231
Base-Backbone interact. energy: -0.581
local terms energy: -160.765796
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -43.235
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -23.177
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: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -332.922477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.922477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.922477 (E_RNA)
where:
Base-Base interactions energy: -191.960
where: short stacking energy: -84.728
Base-Backbone interact. energy: 1.261
local terms energy: -142.223301
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -181.115869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115869 (E_RNA)
where:
Base-Base interactions energy: -57.365
where: short stacking energy: -54.688
Base-Backbone interact. energy: -0.116
local terms energy: -123.635257
where:
bonds (distance) C4'-P energy: -42.764
bonds (distance) P-C4' energy: -46.156
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: 2.183
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: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -735.486451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.486451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.486451 (E_RNA)
where:
Base-Base interactions energy: -506.943
where: short stacking energy: -220.709
Base-Backbone interact. energy: -0.754
local terms energy: -227.789778
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -46.444
flat angles C4'-P-C4' energy: -43.528
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -66.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -729.427643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.427643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.427643 (E_RNA)
where:
Base-Base interactions energy: -488.165
where: short stacking energy: -224.807
Base-Backbone interact. energy: -0.307
local terms energy: -240.954947
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -74.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -612.134895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.134895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.134895 (E_RNA)
where:
Base-Base interactions energy: -398.510
where: short stacking energy: -178.084
Base-Backbone interact. energy: -0.540
local terms energy: -213.084589
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -51.484
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -44.659
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: 293
Temperature: 1.050000
Total energy: -659.621574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.621574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.621574 (E_RNA)
where:
Base-Base interactions energy: -443.715
where: short stacking energy: -198.699
Base-Backbone interact. energy: -0.956
local terms energy: -214.949945
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -64.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -526.292381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.292381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.292381 (E_RNA)
where:
Base-Base interactions energy: -330.184
where: short stacking energy: -159.109
Base-Backbone interact. energy: -0.317
local terms energy: -195.791286
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -44.183
flat angles P-C4'-P energy: -32.480
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -495.560577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.560577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.560577 (E_RNA)
where:
Base-Base interactions energy: -327.498
where: short stacking energy: -146.430
Base-Backbone interact. energy: -1.311
local terms energy: -166.751166
where:
bonds (distance) C4'-P energy: -39.755
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -387.367347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.367347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.367347 (E_RNA)
where:
Base-Base interactions energy: -225.061
where: short stacking energy: -93.770
Base-Backbone interact. energy: -0.224
local terms energy: -162.082249
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -39.773
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -415.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.767793 (E_RNA)
where:
Base-Base interactions energy: -265.864
where: short stacking energy: -115.420
Base-Backbone interact. energy: 1.764
local terms energy: -151.667810
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -33.789
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -327.015884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.015884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.015884 (E_RNA)
where:
Base-Base interactions energy: -182.346
where: short stacking energy: -86.174
Base-Backbone interact. energy: -0.629
local terms energy: -144.041036
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -189.586328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.586328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586328 (E_RNA)
where:
Base-Base interactions energy: -55.568
where: short stacking energy: -52.516
Base-Backbone interact. energy: -0.549
local terms energy: -133.469432
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -41.344
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -23.091
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: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -723.082762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.082762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.082762 (E_RNA)
where:
Base-Base interactions energy: -490.634
where: short stacking energy: -222.777
Base-Backbone interact. energy: 0.572
local terms energy: -233.020047
where:
bonds (distance) C4'-P energy: -40.951
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -74.333
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: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -729.633851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.633851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.633851 (E_RNA)
where:
Base-Base interactions energy: -502.810
where: short stacking energy: -230.773
Base-Backbone interact. energy: -0.077
local terms energy: -226.746102
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -41.107
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -69.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -674.672041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.672041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.672041 (E_RNA)
where:
Base-Base interactions energy: -452.792
where: short stacking energy: -211.220
Base-Backbone interact. energy: -0.090
local terms energy: -221.790260
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -40.373
flat angles C4'-P-C4' energy: -48.253
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -64.981
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: 294
Temperature: 1.050000
Total energy: -589.534686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.534686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.534686 (E_RNA)
where:
Base-Base interactions energy: -400.979
where: short stacking energy: -188.195
Base-Backbone interact. energy: -0.192
local terms energy: -188.363959
where:
bonds (distance) C4'-P energy: -40.979
bonds (distance) P-C4' energy: -40.849
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -42.879
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: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -524.292799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.292799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.292799 (E_RNA)
where:
Base-Base interactions energy: -337.850
where: short stacking energy: -150.057
Base-Backbone interact. energy: -1.763
local terms energy: -184.679637
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -529.301005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.301005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.301005 (E_RNA)
where:
Base-Base interactions energy: -333.283
where: short stacking energy: -155.959
Base-Backbone interact. energy: -1.918
local terms energy: -194.100671
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -44.443
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -412.058084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.058084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.058084 (E_RNA)
where:
Base-Base interactions energy: -266.152
where: short stacking energy: -131.951
Base-Backbone interact. energy: -0.455
local terms energy: -145.450862
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -40.236
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -23.543
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: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -390.533910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.533910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.533910 (E_RNA)
where:
Base-Base interactions energy: -248.574
where: short stacking energy: -122.007
Base-Backbone interact. energy: -0.242
local terms energy: -141.718752
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -339.358050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.358050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.358050 (E_RNA)
where:
Base-Base interactions energy: -194.737
where: short stacking energy: -110.461
Base-Backbone interact. energy: 1.222
local terms energy: -145.842842
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -20.698
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: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -175.384924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.384924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.384924 (E_RNA)
where:
Base-Base interactions energy: -53.118
where: short stacking energy: -45.531
Base-Backbone interact. energy: 1.686
local terms energy: -123.952625
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -716.863805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.863805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.863805 (E_RNA)
where:
Base-Base interactions energy: -472.698
where: short stacking energy: -212.921
Base-Backbone interact. energy: -0.812
local terms energy: -243.353965
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -70.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -725.251225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.251225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.251225 (E_RNA)
where:
Base-Base interactions energy: -494.397
where: short stacking energy: -209.981
Base-Backbone interact. energy: -0.359
local terms energy: -230.495110
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -41.243
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -70.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -677.331686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.331686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.331686 (E_RNA)
where:
Base-Base interactions energy: -468.062
where: short stacking energy: -214.234
Base-Backbone interact. energy: -0.449
local terms energy: -208.820815
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -45.424
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -64.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -572.591414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.591414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.591414 (E_RNA)
where:
Base-Base interactions energy: -373.220
where: short stacking energy: -160.401
Base-Backbone interact. energy: -0.471
local terms energy: -198.900434
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -44.739
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -49.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -561.836920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.836920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.836920 (E_RNA)
where:
Base-Base interactions energy: -371.773
where: short stacking energy: -163.315
Base-Backbone interact. energy: -0.699
local terms energy: -189.364521
where:
bonds (distance) C4'-P energy: -38.249
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -537.381412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.381412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.381412 (E_RNA)
where:
Base-Base interactions energy: -358.210
where: short stacking energy: -175.057
Base-Backbone interact. energy: -1.227
local terms energy: -177.943647
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -47.106
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: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -424.647054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.647054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.647054 (E_RNA)
where:
Base-Base interactions energy: -255.922
where: short stacking energy: -123.108
Base-Backbone interact. energy: -0.299
local terms energy: -168.425850
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -35.822
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -23.977
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: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -347.600579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.600579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.600579 (E_RNA)
where:
Base-Base interactions energy: -192.014
where: short stacking energy: -83.904
Base-Backbone interact. energy: 0.234
local terms energy: -155.820650
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -343.239030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.239030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.239030 (E_RNA)
where:
Base-Base interactions energy: -197.977
where: short stacking energy: -105.574
Base-Backbone interact. energy: 0.036
local terms energy: -145.298243
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -170.157293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.157293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.157293 (E_RNA)
where:
Base-Base interactions energy: -44.795
where: short stacking energy: -42.841
Base-Backbone interact. energy: -0.922
local terms energy: -124.439579
where:
bonds (distance) C4'-P energy: -39.659
bonds (distance) P-C4' energy: -36.163
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: 2.888
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -751.738553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.738553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.738553 (E_RNA)
where:
Base-Base interactions energy: -515.449
where: short stacking energy: -226.696
Base-Backbone interact. energy: -1.525
local terms energy: -234.765247
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -46.015
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -72.005
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: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -710.180458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.180458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.180458 (E_RNA)
where:
Base-Base interactions energy: -465.593
where: short stacking energy: -228.014
Base-Backbone interact. energy: -1.420
local terms energy: -243.166574
where:
bonds (distance) C4'-P energy: -45.543
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -674.356758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.356758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.356758 (E_RNA)
where:
Base-Base interactions energy: -446.766
where: short stacking energy: -195.782
Base-Backbone interact. energy: -0.314
local terms energy: -227.276424
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -45.455
flat angles C4'-P-C4' energy: -48.449
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -562.498873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.498873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.498873 (E_RNA)
where:
Base-Base interactions energy: -361.544
where: short stacking energy: -165.221
Base-Backbone interact. energy: -0.948
local terms energy: -200.006816
where:
bonds (distance) C4'-P energy: -43.255
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -43.392
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -49.352
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: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -556.750076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.750076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.750076 (E_RNA)
where:
Base-Base interactions energy: -357.726
where: short stacking energy: -155.725
Base-Backbone interact. energy: -1.146
local terms energy: -197.877279
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -47.031
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: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -501.188178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.188178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.188178 (E_RNA)
where:
Base-Base interactions energy: -326.774
where: short stacking energy: -136.473
Base-Backbone interact. energy: 0.573
local terms energy: -174.986825
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -44.671
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -28.666
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: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -432.000425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.000425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.000425 (E_RNA)
where:
Base-Base interactions energy: -266.027
where: short stacking energy: -129.682
Base-Backbone interact. energy: 0.351
local terms energy: -166.324380
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -40.314
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -338.090362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.090362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.090362 (E_RNA)
where:
Base-Base interactions energy: -196.053
where: short stacking energy: -101.443
Base-Backbone interact. energy: 1.251
local terms energy: -143.288763
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -190.970252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.970252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.970252 (E_RNA)
where:
Base-Base interactions energy: -66.688
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.255
local terms energy: -124.027734
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -41.747
flat angles C4'-P-C4' energy: -32.002
flat angles P-C4'-P energy: -23.671
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: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -308.012310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.012310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.012310 (E_RNA)
where:
Base-Base interactions energy: -175.931
where: short stacking energy: -90.528
Base-Backbone interact. energy: -0.262
local terms energy: -131.819305
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -733.616046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.616046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.616046 (E_RNA)
where:
Base-Base interactions energy: -482.558
where: short stacking energy: -214.046
Base-Backbone interact. energy: -0.561
local terms energy: -250.497172
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -46.119
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -69.666
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: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -688.496556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.496556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.496556 (E_RNA)
where:
Base-Base interactions energy: -467.272
where: short stacking energy: -215.071
Base-Backbone interact. energy: -0.512
local terms energy: -220.711939
where:
bonds (distance) C4'-P energy: -37.644
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -47.906
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -66.784
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: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -684.096456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.096456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.096456 (E_RNA)
where:
Base-Base interactions energy: -463.973
where: short stacking energy: -211.278
Base-Backbone interact. energy: -1.213
local terms energy: -218.910232
where:
bonds (distance) C4'-P energy: -45.209
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -44.254
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -62.262
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -621.334870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.334870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.334870 (E_RNA)
where:
Base-Base interactions energy: -421.487
where: short stacking energy: -190.764
Base-Backbone interact. energy: 0.134
local terms energy: -199.981131
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -40.355
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: -55.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -563.156262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.156262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.156262 (E_RNA)
where:
Base-Base interactions energy: -362.747
where: short stacking energy: -165.867
Base-Backbone interact. energy: -0.563
local terms energy: -199.846929
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -489.244238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.244238 (E_RNA)
where:
Base-Base interactions energy: -317.480
where: short stacking energy: -134.813
Base-Backbone interact. energy: -0.705
local terms energy: -171.058782
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -36.788
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -28.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -426.196717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.196717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.196717 (E_RNA)
where:
Base-Base interactions energy: -275.721
where: short stacking energy: -115.154
Base-Backbone interact. energy: -0.504
local terms energy: -149.971282
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -356.200925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.200925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.200925 (E_RNA)
where:
Base-Base interactions energy: -204.594
where: short stacking energy: -113.050
Base-Backbone interact. energy: -0.157
local terms energy: -151.449865
where:
bonds (distance) C4'-P energy: -34.577
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -191.034120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.034120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.034120 (E_RNA)
where:
Base-Base interactions energy: -80.150
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.448
local terms energy: -110.436437
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -294.927298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.927298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.927298 (E_RNA)
where:
Base-Base interactions energy: -158.796
where: short stacking energy: -74.855
Base-Backbone interact. energy: -0.140
local terms energy: -135.991322
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -732.048307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.048307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.048307 (E_RNA)
where:
Base-Base interactions energy: -499.387
where: short stacking energy: -223.825
Base-Backbone interact. energy: -0.373
local terms energy: -232.288264
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -31.199
tors. eta vs tors. theta energy: -69.268
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: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -672.088482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.088482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.088482 (E_RNA)
where:
Base-Base interactions energy: -448.440
where: short stacking energy: -216.896
Base-Backbone interact. energy: -0.619
local terms energy: -223.028973
where:
bonds (distance) C4'-P energy: -37.709
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -34.695
tors. eta vs tors. theta energy: -62.857
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: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -638.933622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.933622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.933622 (E_RNA)
where:
Base-Base interactions energy: -420.893
where: short stacking energy: -183.242
Base-Backbone interact. energy: -0.225
local terms energy: -217.816338
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -40.702
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -35.406
tors. eta vs tors. theta energy: -58.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -666.799234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.799234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.799234 (E_RNA)
where:
Base-Base interactions energy: -441.826
where: short stacking energy: -197.573
Base-Backbone interact. energy: -0.139
local terms energy: -224.834154
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -46.188
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -62.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -509.333847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.333847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.333847 (E_RNA)
where:
Base-Base interactions energy: -336.916
where: short stacking energy: -164.571
Base-Backbone interact. energy: -0.310
local terms energy: -172.107650
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -556.138321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.138321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.138321 (E_RNA)
where:
Base-Base interactions energy: -364.309
where: short stacking energy: -167.190
Base-Backbone interact. energy: -0.463
local terms energy: -191.366582
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -43.232
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -43.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -426.219559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.219559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.219559 (E_RNA)
where:
Base-Base interactions energy: -270.914
where: short stacking energy: -126.306
Base-Backbone interact. energy: -0.513
local terms energy: -154.792396
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -363.987392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.987392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.987392 (E_RNA)
where:
Base-Base interactions energy: -221.788
where: short stacking energy: -105.027
Base-Backbone interact. energy: -1.023
local terms energy: -141.176975
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -43.093
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -316.322743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.322743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.322743 (E_RNA)
where:
Base-Base interactions energy: -168.832
where: short stacking energy: -92.467
Base-Backbone interact. energy: 1.312
local terms energy: -148.802498
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -175.210046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.210046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.210046 (E_RNA)
where:
Base-Base interactions energy: -61.485
where: short stacking energy: -36.062
Base-Backbone interact. energy: -0.729
local terms energy: -112.996041
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: 9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -747.929807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.929807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.929807 (E_RNA)
where:
Base-Base interactions energy: -512.278
where: short stacking energy: -228.722
Base-Backbone interact. energy: -0.064
local terms energy: -235.587525
where:
bonds (distance) C4'-P energy: -39.854
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -69.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -692.155677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.155677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.155677 (E_RNA)
where:
Base-Base interactions energy: -459.551
where: short stacking energy: -209.860
Base-Backbone interact. energy: -0.017
local terms energy: -232.588136
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -45.349
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -68.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -644.814313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.814313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.814313 (E_RNA)
where:
Base-Base interactions energy: -414.863
where: short stacking energy: -197.175
Base-Backbone interact. energy: -0.664
local terms energy: -229.287352
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -47.366
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -62.850
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -660.714794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.714794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.714794 (E_RNA)
where:
Base-Base interactions energy: -450.931
where: short stacking energy: -203.427
Base-Backbone interact. energy: -0.255
local terms energy: -209.528377
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -64.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -505.182464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.182464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.182464 (E_RNA)
where:
Base-Base interactions energy: -320.368
where: short stacking energy: -143.645
Base-Backbone interact. energy: -0.701
local terms energy: -184.113218
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -43.881
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -27.459
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -455.184382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.184382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.184382 (E_RNA)
where:
Base-Base interactions energy: -278.331
where: short stacking energy: -132.659
Base-Backbone interact. energy: 1.764
local terms energy: -178.617614
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -40.432
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -32.354
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -549.883695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.883695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.883695 (E_RNA)
where:
Base-Base interactions energy: -375.015
where: short stacking energy: -163.532
Base-Backbone interact. energy: -1.235
local terms energy: -173.633516
where:
bonds (distance) C4'-P energy: -40.438
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -45.216
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -331.231001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.231001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.231001 (E_RNA)
where:
Base-Base interactions energy: -197.776
where: short stacking energy: -88.179
Base-Backbone interact. energy: -1.256
local terms energy: -132.199241
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -360.473976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.473976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.473976 (E_RNA)
where:
Base-Base interactions energy: -210.987
where: short stacking energy: -107.699
Base-Backbone interact. energy: -1.876
local terms energy: -147.611264
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -34.565
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -23.150
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -201.087881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087881 (E_RNA)
where:
Base-Base interactions energy: -88.734
where: short stacking energy: -59.267
Base-Backbone interact. energy: 5.374
local terms energy: -117.727646
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -720.438064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.438064 (E_RNA)
where:
Base-Base interactions energy: -474.852
where: short stacking energy: -237.281
Base-Backbone interact. energy: -0.660
local terms energy: -244.926221
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -47.056
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -74.682
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -737.854825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.854825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.854825 (E_RNA)
where:
Base-Base interactions energy: -503.211
where: short stacking energy: -219.226
Base-Backbone interact. energy: 0.941
local terms energy: -235.584782
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -49.752
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -75.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -650.033973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.033973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.033973 (E_RNA)
where:
Base-Base interactions energy: -439.004
where: short stacking energy: -195.133
Base-Backbone interact. energy: -0.300
local terms energy: -210.730167
where:
bonds (distance) C4'-P energy: -41.542
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -59.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -668.946749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.946749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.946749 (E_RNA)
where:
Base-Base interactions energy: -455.969
where: short stacking energy: -204.416
Base-Backbone interact. energy: -0.093
local terms energy: -212.885633
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -70.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -504.694983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.694983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.694983 (E_RNA)
where:
Base-Base interactions energy: -329.442
where: short stacking energy: -153.345
Base-Backbone interact. energy: 0.385
local terms energy: -175.637779
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -41.432
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -29.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -507.495825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.495825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.495825 (E_RNA)
where:
Base-Base interactions energy: -326.206
where: short stacking energy: -148.732
Base-Backbone interact. energy: -0.419
local terms energy: -180.870330
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -473.031422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.031422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.031422 (E_RNA)
where:
Base-Base interactions energy: -306.158
where: short stacking energy: -142.395
Base-Backbone interact. energy: -0.604
local terms energy: -166.269627
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -46.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -350.349323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.349323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.349323 (E_RNA)
where:
Base-Base interactions energy: -211.570
where: short stacking energy: -110.310
Base-Backbone interact. energy: 5.227
local terms energy: -144.005861
where:
bonds (distance) C4'-P energy: -42.415
bonds (distance) P-C4' energy: -35.530
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -371.396070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.396070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.396070 (E_RNA)
where:
Base-Base interactions energy: -227.765
where: short stacking energy: -105.040
Base-Backbone interact. energy: 0.796
local terms energy: -144.427179
where:
bonds (distance) C4'-P energy: -34.439
bonds (distance) P-C4' energy: -43.648
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -200.243817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.243817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.243817 (E_RNA)
where:
Base-Base interactions energy: -73.178
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.006
local terms energy: -127.059890
where:
bonds (distance) C4'-P energy: -38.587
bonds (distance) P-C4' energy: -39.904
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -0.133
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -725.316167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.316167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.316167 (E_RNA)
where:
Base-Base interactions energy: -483.254
where: short stacking energy: -221.566
Base-Backbone interact. energy: -0.094
local terms energy: -241.968643
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -46.798
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -70.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -713.399547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.399547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.399547 (E_RNA)
where:
Base-Base interactions energy: -482.681
where: short stacking energy: -204.358
Base-Backbone interact. energy: -0.960
local terms energy: -229.759078
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -67.493
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: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -637.002701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.002701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.002701 (E_RNA)
where:
Base-Base interactions energy: -432.631
where: short stacking energy: -185.893
Base-Backbone interact. energy: -0.493
local terms energy: -203.878761
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -56.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -662.351107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.351107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.351107 (E_RNA)
where:
Base-Base interactions energy: -442.139
where: short stacking energy: -201.084
Base-Backbone interact. energy: -0.220
local terms energy: -219.991881
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -554.881068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.881068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.881068 (E_RNA)
where:
Base-Base interactions energy: -360.104
where: short stacking energy: -173.815
Base-Backbone interact. energy: -0.175
local terms energy: -194.601957
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -41.129
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -46.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -516.289075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.289075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.289075 (E_RNA)
where:
Base-Base interactions energy: -342.821
where: short stacking energy: -169.142
Base-Backbone interact. energy: 2.563
local terms energy: -176.030973
where:
bonds (distance) C4'-P energy: -37.171
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -42.137
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: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -500.988728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.988728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.988728 (E_RNA)
where:
Base-Base interactions energy: -328.449
where: short stacking energy: -140.549
Base-Backbone interact. energy: -1.025
local terms energy: -171.515624
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -366.198625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.198625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.198625 (E_RNA)
where:
Base-Base interactions energy: -211.603
where: short stacking energy: -97.569
Base-Backbone interact. energy: 0.166
local terms energy: -154.762469
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -39.218
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -26.467
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -307.471415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.471415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.471415 (E_RNA)
where:
Base-Base interactions energy: -176.374
where: short stacking energy: -97.476
Base-Backbone interact. energy: 0.533
local terms energy: -131.630394
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -34.990
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -178.472934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.472934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.472934 (E_RNA)
where:
Base-Base interactions energy: -67.066
where: short stacking energy: -57.222
Base-Backbone interact. energy: 1.216
local terms energy: -112.623572
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -41.173
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: 1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -711.485702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.485702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.485702 (E_RNA)
where:
Base-Base interactions energy: -467.544
where: short stacking energy: -215.474
Base-Backbone interact. energy: 0.231
local terms energy: -244.172811
where:
bonds (distance) C4'-P energy: -44.004
bonds (distance) P-C4' energy: -44.750
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -73.698
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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -704.642605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.642605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.642605 (E_RNA)
where:
Base-Base interactions energy: -480.502
where: short stacking energy: -212.577
Base-Backbone interact. energy: -0.251
local terms energy: -223.889606
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -37.608
flat angles C4'-P-C4' energy: -46.277
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -64.199
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: 302
Temperature: 1.000000
Total energy: -651.908081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.908081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.908081 (E_RNA)
where:
Base-Base interactions energy: -432.793
where: short stacking energy: -195.367
Base-Backbone interact. energy: -0.191
local terms energy: -218.924744
where:
bonds (distance) C4'-P energy: -42.473
bonds (distance) P-C4' energy: -44.190
flat angles C4'-P-C4' energy: -46.208
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -60.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -637.114756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.114756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.114756 (E_RNA)
where:
Base-Base interactions energy: -431.863
where: short stacking energy: -198.183
Base-Backbone interact. energy: -1.299
local terms energy: -203.952014
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -43.521
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -60.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -506.532138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.532138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.532138 (E_RNA)
where:
Base-Base interactions energy: -321.598
where: short stacking energy: -144.074
Base-Backbone interact. energy: -0.534
local terms energy: -184.400164
where:
bonds (distance) C4'-P energy: -43.620
bonds (distance) P-C4' energy: -41.846
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -32.982
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: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -506.036855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.036855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.036855 (E_RNA)
where:
Base-Base interactions energy: -325.442
where: short stacking energy: -144.771
Base-Backbone interact. energy: -0.327
local terms energy: -180.268168
where:
bonds (distance) C4'-P energy: -40.620
bonds (distance) P-C4' energy: -37.771
flat angles C4'-P-C4' energy: -40.474
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -39.054
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -503.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.143017 (E_RNA)
where:
Base-Base interactions energy: -327.204
where: short stacking energy: -144.715
Base-Backbone interact. energy: -1.568
local terms energy: -174.370947
where:
bonds (distance) C4'-P energy: -42.455
bonds (distance) P-C4' energy: -46.478
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -30.588
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -382.633380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.633380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.633380 (E_RNA)
where:
Base-Base interactions energy: -233.701
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.457
local terms energy: -148.475729
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -38.322
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -329.382217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.382217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.382217 (E_RNA)
where:
Base-Base interactions energy: -198.944
where: short stacking energy: -102.014
Base-Backbone interact. energy: -0.603
local terms energy: -129.835289
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -185.819795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.819795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.819795 (E_RNA)
where:
Base-Base interactions energy: -72.178
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.338
local terms energy: -113.304134
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -40.439
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -712.802047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.802047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.802047 (E_RNA)
where:
Base-Base interactions energy: -470.073
where: short stacking energy: -222.389
Base-Backbone interact. energy: -0.102
local terms energy: -242.626759
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -71.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -712.051370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.051370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.051370 (E_RNA)
where:
Base-Base interactions energy: -492.770
where: short stacking energy: -209.329
Base-Backbone interact. energy: -0.353
local terms energy: -218.928404
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -64.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -649.435585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.435585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.435585 (E_RNA)
where:
Base-Base interactions energy: -431.390
where: short stacking energy: -196.724
Base-Backbone interact. energy: -0.679
local terms energy: -217.366535
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -40.346
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -60.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -648.741414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.741414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.741414 (E_RNA)
where:
Base-Base interactions energy: -435.012
where: short stacking energy: -192.935
Base-Backbone interact. energy: -1.308
local terms energy: -212.420852
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -37.139
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -63.228
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -508.862226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.862226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.862226 (E_RNA)
where:
Base-Base interactions energy: -327.716
where: short stacking energy: -126.705
Base-Backbone interact. energy: -0.699
local terms energy: -180.447395
where:
bonds (distance) C4'-P energy: -39.208
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -35.191
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -533.455852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.455852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.455852 (E_RNA)
where:
Base-Base interactions energy: -338.010
where: short stacking energy: -159.364
Base-Backbone interact. energy: -0.433
local terms energy: -195.013516
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -48.067
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: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -487.126039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.126039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.126039 (E_RNA)
where:
Base-Base interactions energy: -309.491
where: short stacking energy: -145.621
Base-Backbone interact. energy: 1.800
local terms energy: -179.435394
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -30.505
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: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -396.804259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.804259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.804259 (E_RNA)
where:
Base-Base interactions energy: -267.373
where: short stacking energy: -124.090
Base-Backbone interact. energy: -0.563
local terms energy: -128.867576
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -335.609671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.609671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.609671 (E_RNA)
where:
Base-Base interactions energy: -175.365
where: short stacking energy: -91.001
Base-Backbone interact. energy: 0.292
local terms energy: -160.537365
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -30.921
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -177.059559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.059559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.059559 (E_RNA)
where:
Base-Base interactions energy: -71.628
where: short stacking energy: -58.095
Base-Backbone interact. energy: 3.187
local terms energy: -108.618437
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -38.725
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -726.565633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.565633 (E_RNA)
where:
Base-Base interactions energy: -486.724
where: short stacking energy: -228.006
Base-Backbone interact. energy: -1.288
local terms energy: -238.553921
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -690.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.241316 (E_RNA)
where:
Base-Base interactions energy: -465.580
where: short stacking energy: -211.685
Base-Backbone interact. energy: -0.073
local terms energy: -224.588491
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -42.416
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -68.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -675.656216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.656216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.656216 (E_RNA)
where:
Base-Base interactions energy: -453.533
where: short stacking energy: -208.662
Base-Backbone interact. energy: 0.610
local terms energy: -222.733877
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -39.929
flat angles C4'-P-C4' energy: -49.220
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -69.486
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: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -615.987387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.987387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.987387 (E_RNA)
where:
Base-Base interactions energy: -405.458
where: short stacking energy: -183.145
Base-Backbone interact. energy: -0.831
local terms energy: -209.697559
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -45.451
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -53.857
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -521.495555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.495555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.495555 (E_RNA)
where:
Base-Base interactions energy: -331.558
where: short stacking energy: -152.346
Base-Backbone interact. energy: -1.002
local terms energy: -188.935659
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -43.540
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -45.110
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -517.782694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.782694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.782694 (E_RNA)
where:
Base-Base interactions energy: -335.950
where: short stacking energy: -164.939
Base-Backbone interact. energy: -0.242
local terms energy: -181.591203
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -39.966
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -521.311195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.311195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.311195 (E_RNA)
where:
Base-Base interactions energy: -345.283
where: short stacking energy: -139.931
Base-Backbone interact. energy: -0.439
local terms energy: -175.589110
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -37.878
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -31.909
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: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -409.141749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.141749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.141749 (E_RNA)
where:
Base-Base interactions energy: -244.577
where: short stacking energy: -116.981
Base-Backbone interact. energy: -0.745
local terms energy: -163.819806
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -29.710
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: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -269.126280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.126280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.126280 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -92.739
Base-Backbone interact. energy: 0.728
local terms energy: -129.145757
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -193.581658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.581658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.581658 (E_RNA)
where:
Base-Base interactions energy: -60.175
where: short stacking energy: -59.403
Base-Backbone interact. energy: 0.426
local terms energy: -133.832735
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -714.763428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.763428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.763428 (E_RNA)
where:
Base-Base interactions energy: -501.307
where: short stacking energy: -211.335
Base-Backbone interact. energy: -0.908
local terms energy: -212.549055
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -40.137
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -62.205
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -678.758693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.758693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.758693 (E_RNA)
where:
Base-Base interactions energy: -456.457
where: short stacking energy: -210.082
Base-Backbone interact. energy: -0.355
local terms energy: -221.946857
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -47.403
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -65.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -672.038482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.038482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.038482 (E_RNA)
where:
Base-Base interactions energy: -448.367
where: short stacking energy: -209.134
Base-Backbone interact. energy: -0.748
local terms energy: -222.923485
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -70.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -612.423517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.423517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.423517 (E_RNA)
where:
Base-Base interactions energy: -407.606
where: short stacking energy: -171.323
Base-Backbone interact. energy: -0.668
local terms energy: -204.149716
where:
bonds (distance) C4'-P energy: -35.889
bonds (distance) P-C4' energy: -38.002
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -34.639
tors. eta vs tors. theta energy: -53.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -529.392629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.392629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.392629 (E_RNA)
where:
Base-Base interactions energy: -323.900
where: short stacking energy: -158.066
Base-Backbone interact. energy: -1.423
local terms energy: -204.069951
where:
bonds (distance) C4'-P energy: -41.482
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -44.039
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -529.222037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.222037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.222037 (E_RNA)
where:
Base-Base interactions energy: -327.530
where: short stacking energy: -168.056
Base-Backbone interact. energy: -0.333
local terms energy: -201.359368
where:
bonds (distance) C4'-P energy: -40.174
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -45.266
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -45.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -507.953119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.953119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.953119 (E_RNA)
where:
Base-Base interactions energy: -332.977
where: short stacking energy: -145.604
Base-Backbone interact. energy: -1.108
local terms energy: -173.868628
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -38.699
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -40.755
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -383.207263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.207263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.207263 (E_RNA)
where:
Base-Base interactions energy: -224.256
where: short stacking energy: -114.226
Base-Backbone interact. energy: -0.578
local terms energy: -158.372974
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -217.079716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.079716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.079716 (E_RNA)
where:
Base-Base interactions energy: -89.935
where: short stacking energy: -65.242
Base-Backbone interact. energy: 1.807
local terms energy: -128.951253
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -188.615325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.615325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615325 (E_RNA)
where:
Base-Base interactions energy: -70.107
where: short stacking energy: -57.039
Base-Backbone interact. energy: 0.869
local terms energy: -119.377853
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -38.161
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: 6.756
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -736.949801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.949801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.949801 (E_RNA)
where:
Base-Base interactions energy: -506.246
where: short stacking energy: -220.534
Base-Backbone interact. energy: -0.723
local terms energy: -229.980225
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -40.980
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -72.596
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -695.580172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.580172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.580172 (E_RNA)
where:
Base-Base interactions energy: -472.875
where: short stacking energy: -222.940
Base-Backbone interact. energy: -0.112
local terms energy: -222.593021
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -44.413
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -67.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -677.837566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.837566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.837566 (E_RNA)
where:
Base-Base interactions energy: -450.351
where: short stacking energy: -203.551
Base-Backbone interact. energy: -0.804
local terms energy: -226.682816
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -42.047
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -70.041
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -599.864778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.864778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.864778 (E_RNA)
where:
Base-Base interactions energy: -401.595
where: short stacking energy: -189.338
Base-Backbone interact. energy: -0.645
local terms energy: -197.624860
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -558.631290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.631290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.631290 (E_RNA)
where:
Base-Base interactions energy: -352.829
where: short stacking energy: -168.953
Base-Backbone interact. energy: 0.512
local terms energy: -206.314050
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -54.008
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -505.087658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.087658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.087658 (E_RNA)
where:
Base-Base interactions energy: -317.279
where: short stacking energy: -137.572
Base-Backbone interact. energy: 0.056
local terms energy: -187.864258
where:
bonds (distance) C4'-P energy: -36.852
bonds (distance) P-C4' energy: -40.447
flat angles C4'-P-C4' energy: -45.093
flat angles P-C4'-P energy: -35.573
tors. eta vs tors. theta energy: -29.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -506.731188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.731188 (E_RNA)
where:
Base-Base interactions energy: -333.605
where: short stacking energy: -145.522
Base-Backbone interact. energy: -0.997
local terms energy: -172.129307
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -40.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -436.424003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.424003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.424003 (E_RNA)
where:
Base-Base interactions energy: -256.400
where: short stacking energy: -137.094
Base-Backbone interact. energy: -0.697
local terms energy: -179.326658
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -38.504
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -41.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -192.787319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.787319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.787319 (E_RNA)
where:
Base-Base interactions energy: -68.090
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.435
local terms energy: -124.262159
where:
bonds (distance) C4'-P energy: -35.903
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -2.506
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: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -203.490014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.490014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.490014 (E_RNA)
where:
Base-Base interactions energy: -91.369
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.319
local terms energy: -111.802576
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -728.609384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.609384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.609384 (E_RNA)
where:
Base-Base interactions energy: -500.682
where: short stacking energy: -225.037
Base-Backbone interact. energy: -0.758
local terms energy: -227.170071
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -39.288
flat angles C4'-P-C4' energy: -45.672
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -72.467
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: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -686.175420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.175420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.175420 (E_RNA)
where:
Base-Base interactions energy: -463.294
where: short stacking energy: -224.822
Base-Backbone interact. energy: -0.143
local terms energy: -222.738080
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -70.855
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: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -675.110214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.110214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.110214 (E_RNA)
where:
Base-Base interactions energy: -444.333
where: short stacking energy: -205.430
Base-Backbone interact. energy: -2.137
local terms energy: -228.639782
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -65.842
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: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -619.019510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.019510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.019510 (E_RNA)
where:
Base-Base interactions energy: -408.712
where: short stacking energy: -189.722
Base-Backbone interact. energy: 0.149
local terms energy: -210.456351
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -51.007
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -58.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -547.954652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.954652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.954652 (E_RNA)
where:
Base-Base interactions energy: -360.144
where: short stacking energy: -172.781
Base-Backbone interact. energy: -0.601
local terms energy: -187.209398
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -41.530
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -45.738
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: 307
Temperature: 1.150000
Total energy: -510.131250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.131250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.131250 (E_RNA)
where:
Base-Base interactions energy: -336.407
where: short stacking energy: -139.044
Base-Backbone interact. energy: -0.569
local terms energy: -173.154292
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -427.526044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.526044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.526044 (E_RNA)
where:
Base-Base interactions energy: -301.504
where: short stacking energy: -116.865
Base-Backbone interact. energy: -0.705
local terms energy: -125.317767
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -12.009
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: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -385.084874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.084874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.084874 (E_RNA)
where:
Base-Base interactions energy: -229.842
where: short stacking energy: -113.740
Base-Backbone interact. energy: -0.449
local terms energy: -154.794463
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -37.885
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -193.188100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.188100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.188100 (E_RNA)
where:
Base-Base interactions energy: -67.380
where: short stacking energy: -59.934
Base-Backbone interact. energy: -1.099
local terms energy: -124.708540
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -36.801
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -179.682974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.682974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.682974 (E_RNA)
where:
Base-Base interactions energy: -55.481
where: short stacking energy: -32.303
Base-Backbone interact. energy: -1.112
local terms energy: -123.090886
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -23.831
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: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -740.379073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.379073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.379073 (E_RNA)
where:
Base-Base interactions energy: -502.005
where: short stacking energy: -222.689
Base-Backbone interact. energy: -1.275
local terms energy: -237.098772
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -67.126
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: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -685.483683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.483683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.483683 (E_RNA)
where:
Base-Base interactions energy: -452.581
where: short stacking energy: -221.354
Base-Backbone interact. energy: 0.025
local terms energy: -232.928028
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -41.194
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -69.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -669.992746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.992746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.992746 (E_RNA)
where:
Base-Base interactions energy: -454.634
where: short stacking energy: -200.918
Base-Backbone interact. energy: -0.581
local terms energy: -214.777930
where:
bonds (distance) C4'-P energy: -40.401
bonds (distance) P-C4' energy: -39.463
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -58.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -591.148227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.148227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.148227 (E_RNA)
where:
Base-Base interactions energy: -380.747
where: short stacking energy: -185.334
Base-Backbone interact. energy: -0.187
local terms energy: -210.214319
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -44.315
flat angles C4'-P-C4' energy: -41.516
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -54.068
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: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -571.806785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.806785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.806785 (E_RNA)
where:
Base-Base interactions energy: -368.229
where: short stacking energy: -171.996
Base-Backbone interact. energy: 2.078
local terms energy: -205.655047
where:
bonds (distance) C4'-P energy: -37.597
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -46.523
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -53.689
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -545.276923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.276923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.276923 (E_RNA)
where:
Base-Base interactions energy: -355.476
where: short stacking energy: -154.837
Base-Backbone interact. energy: -0.471
local terms energy: -189.330505
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -32.970
tors. eta vs tors. theta energy: -40.128
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: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -397.457391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.457391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.457391 (E_RNA)
where:
Base-Base interactions energy: -239.463
where: short stacking energy: -125.252
Base-Backbone interact. energy: -0.501
local terms energy: -157.493402
where:
bonds (distance) C4'-P energy: -37.737
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -29.607
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: 308
Temperature: 1.250000
Total energy: -438.859058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.859058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.859058 (E_RNA)
where:
Base-Base interactions energy: -259.702
where: short stacking energy: -121.811
Base-Backbone interact. energy: -1.415
local terms energy: -177.742377
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -39.489
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -36.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -216.533228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.533228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.533228 (E_RNA)
where:
Base-Base interactions energy: -105.518
where: short stacking energy: -70.974
Base-Backbone interact. energy: 2.449
local terms energy: -113.464337
where:
bonds (distance) C4'-P energy: -36.840
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -199.293698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.293698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.293698 (E_RNA)
where:
Base-Base interactions energy: -82.696
where: short stacking energy: -74.171
Base-Backbone interact. energy: 1.415
local terms energy: -118.012950
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -739.320879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.320879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.320879 (E_RNA)
where:
Base-Base interactions energy: -505.800
where: short stacking energy: -219.327
Base-Backbone interact. energy: 1.630
local terms energy: -235.151480
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -37.777
tors. eta vs tors. theta energy: -65.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -689.317346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.317346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.317346 (E_RNA)
where:
Base-Base interactions energy: -462.552
where: short stacking energy: -213.796
Base-Backbone interact. energy: 2.101
local terms energy: -228.865781
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -42.197
flat angles C4'-P-C4' energy: -48.113
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -67.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -667.807944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.807944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.807944 (E_RNA)
where:
Base-Base interactions energy: -436.910
where: short stacking energy: -197.986
Base-Backbone interact. energy: -0.160
local terms energy: -230.737873
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -42.743
flat angles C4'-P-C4' energy: -47.366
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -64.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -596.863223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.863223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.863223 (E_RNA)
where:
Base-Base interactions energy: -382.043
where: short stacking energy: -180.516
Base-Backbone interact. energy: -0.541
local terms energy: -214.279370
where:
bonds (distance) C4'-P energy: -42.049
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: -61.001
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: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -576.189457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.189457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.189457 (E_RNA)
where:
Base-Base interactions energy: -368.957
where: short stacking energy: -169.606
Base-Backbone interact. energy: -1.093
local terms energy: -206.139569
where:
bonds (distance) C4'-P energy: -39.678
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -35.370
tors. eta vs tors. theta energy: -52.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -520.079821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.079821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.079821 (E_RNA)
where:
Base-Base interactions energy: -316.986
where: short stacking energy: -147.703
Base-Backbone interact. energy: -1.171
local terms energy: -201.923190
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -41.864
flat angles P-C4'-P energy: -39.779
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -385.733096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.733096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.733096 (E_RNA)
where:
Base-Base interactions energy: -228.981
where: short stacking energy: -112.100
Base-Backbone interact. energy: -1.390
local terms energy: -155.362011
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -423.690520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.690520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.690520 (E_RNA)
where:
Base-Base interactions energy: -271.591
where: short stacking energy: -114.215
Base-Backbone interact. energy: 2.780
local terms energy: -154.879879
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -192.429131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.429131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.429131 (E_RNA)
where:
Base-Base interactions energy: -69.064
where: short stacking energy: -49.214
Base-Backbone interact. energy: 1.243
local terms energy: -124.608801
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: 4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -180.351268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.351268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.351268 (E_RNA)
where:
Base-Base interactions energy: -54.436
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.787
local terms energy: -125.128524
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: 6.723
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: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -741.395245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.395245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.395245 (E_RNA)
where:
Base-Base interactions energy: -503.049
where: short stacking energy: -206.050
Base-Backbone interact. energy: -0.096
local terms energy: -238.249526
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -52.138
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -69.083
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: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -688.333736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.333736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.333736 (E_RNA)
where:
Base-Base interactions energy: -457.609
where: short stacking energy: -196.140
Base-Backbone interact. energy: -0.083
local terms energy: -230.642103
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -68.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -688.944905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.944905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.944905 (E_RNA)
where:
Base-Base interactions energy: -460.445
where: short stacking energy: -221.029
Base-Backbone interact. energy: 1.010
local terms energy: -229.509577
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -47.388
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -67.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -593.330832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.330832 (E_RNA)
where:
Base-Base interactions energy: -394.242
where: short stacking energy: -163.932
Base-Backbone interact. energy: 3.600
local terms energy: -202.688011
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -42.563
flat angles C4'-P-C4' energy: -46.602
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -573.214877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.214877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.214877 (E_RNA)
where:
Base-Base interactions energy: -361.814
where: short stacking energy: -177.577
Base-Backbone interact. energy: -0.311
local terms energy: -211.090297
where:
bonds (distance) C4'-P energy: -34.152
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -52.418
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: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -505.985891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.985891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.985891 (E_RNA)
where:
Base-Base interactions energy: -327.139
where: short stacking energy: -138.309
Base-Backbone interact. energy: -1.258
local terms energy: -177.588738
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -44.198
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -31.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -451.972713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.972713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.972713 (E_RNA)
where:
Base-Base interactions energy: -272.512
where: short stacking energy: -129.160
Base-Backbone interact. energy: -0.544
local terms energy: -178.916872
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -38.866
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -27.799
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: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -367.906078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.906078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.906078 (E_RNA)
where:
Base-Base interactions energy: -219.574
where: short stacking energy: -103.622
Base-Backbone interact. energy: -0.342
local terms energy: -147.990082
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -194.868060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.868060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.868060 (E_RNA)
where:
Base-Base interactions energy: -75.491
where: short stacking energy: -48.258
Base-Backbone interact. energy: -1.498
local terms energy: -117.878937
where:
bonds (distance) C4'-P energy: -37.626
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: 5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -165.069715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.069715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.069715 (E_RNA)
where:
Base-Base interactions energy: -60.451
where: short stacking energy: -45.530
Base-Backbone interact. energy: -0.661
local terms energy: -103.957840
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -42.458
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -746.658238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.658238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.658238 (E_RNA)
where:
Base-Base interactions energy: -513.506
where: short stacking energy: -226.250
Base-Backbone interact. energy: 0.664
local terms energy: -233.815426
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -67.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -702.472007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.472007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.472007 (E_RNA)
where:
Base-Base interactions energy: -467.907
where: short stacking energy: -220.025
Base-Backbone interact. energy: -1.516
local terms energy: -233.049586
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -73.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -681.924936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.924936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.924936 (E_RNA)
where:
Base-Base interactions energy: -467.222
where: short stacking energy: -206.615
Base-Backbone interact. energy: 0.186
local terms energy: -214.888538
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -43.177
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -61.020
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: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -588.168248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.168248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.168248 (E_RNA)
where:
Base-Base interactions energy: -380.938
where: short stacking energy: -166.612
Base-Backbone interact. energy: -0.336
local terms energy: -206.894554
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -46.933
flat angles P-C4'-P energy: -29.290
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -558.974565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.974565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.974565 (E_RNA)
where:
Base-Base interactions energy: -366.017
where: short stacking energy: -174.839
Base-Backbone interact. energy: -0.381
local terms energy: -192.577194
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -42.996
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -28.736
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -515.968524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.968524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.968524 (E_RNA)
where:
Base-Base interactions energy: -336.079
where: short stacking energy: -159.027
Base-Backbone interact. energy: -0.413
local terms energy: -179.476443
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -42.460
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -31.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -439.416549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.416549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.416549 (E_RNA)
where:
Base-Base interactions energy: -272.131
where: short stacking energy: -142.575
Base-Backbone interact. energy: -1.611
local terms energy: -165.674362
where:
bonds (distance) C4'-P energy: -31.852
bonds (distance) P-C4' energy: -39.324
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -36.597
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: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -359.181932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.181932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.181932 (E_RNA)
where:
Base-Base interactions energy: -191.695
where: short stacking energy: -93.273
Base-Backbone interact. energy: -2.193
local terms energy: -165.294357
where:
bonds (distance) C4'-P energy: -35.753
bonds (distance) P-C4' energy: -38.399
flat angles C4'-P-C4' energy: -41.282
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -209.010341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.010341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.010341 (E_RNA)
where:
Base-Base interactions energy: -83.411
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.267
local terms energy: -125.332673
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: 5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -196.247344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.247344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.247344 (E_RNA)
where:
Base-Base interactions energy: -75.701
where: short stacking energy: -50.285
Base-Backbone interact. energy: 0.616
local terms energy: -121.162226
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -34.937
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: 5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -741.656051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.656051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.656051 (E_RNA)
where:
Base-Base interactions energy: -498.375
where: short stacking energy: -218.141
Base-Backbone interact. energy: -0.144
local terms energy: -243.137489
where:
bonds (distance) C4'-P energy: -45.284
bonds (distance) P-C4' energy: -39.737
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -72.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -714.513534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.513534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.513534 (E_RNA)
where:
Base-Base interactions energy: -479.870
where: short stacking energy: -223.137
Base-Backbone interact. energy: -0.516
local terms energy: -234.127417
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -44.667
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -75.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -680.215203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.215203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.215203 (E_RNA)
where:
Base-Base interactions energy: -447.767
where: short stacking energy: -207.070
Base-Backbone interact. energy: -1.116
local terms energy: -231.332052
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -66.492
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: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -566.132073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.132073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.132073 (E_RNA)
where:
Base-Base interactions energy: -361.798
where: short stacking energy: -182.451
Base-Backbone interact. energy: -0.095
local terms energy: -204.239002
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -50.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -538.837137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.837137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.837137 (E_RNA)
where:
Base-Base interactions energy: -341.433
where: short stacking energy: -155.017
Base-Backbone interact. energy: -0.511
local terms energy: -196.893235
where:
bonds (distance) C4'-P energy: -41.967
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -45.415
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -39.582
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: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -528.131340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.131340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.131340 (E_RNA)
where:
Base-Base interactions energy: -344.049
where: short stacking energy: -157.770
Base-Backbone interact. energy: -0.269
local terms energy: -183.812940
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -41.436
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -43.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -431.622712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.622712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.622712 (E_RNA)
where:
Base-Base interactions energy: -267.370
where: short stacking energy: -123.560
Base-Backbone interact. energy: -0.664
local terms energy: -163.589196
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -393.219839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.219839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.219839 (E_RNA)
where:
Base-Base interactions energy: -238.511
where: short stacking energy: -121.313
Base-Backbone interact. energy: 0.720
local terms energy: -155.428988
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -36.605
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -207.712224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.712224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.712224 (E_RNA)
where:
Base-Base interactions energy: -79.117
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.024
local terms energy: -128.570735
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -15.521
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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -190.726192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.726192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.726192 (E_RNA)
where:
Base-Base interactions energy: -70.902
where: short stacking energy: -61.414
Base-Backbone interact. energy: 1.440
local terms energy: -121.263893
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: 6.064
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: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -746.123013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.123013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.123013 (E_RNA)
where:
Base-Base interactions energy: -502.155
where: short stacking energy: -228.595
Base-Backbone interact. energy: -0.244
local terms energy: -243.724146
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -71.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -691.452389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.452389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.452389 (E_RNA)
where:
Base-Base interactions energy: -466.276
where: short stacking energy: -217.400
Base-Backbone interact. energy: -0.716
local terms energy: -224.460659
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -47.464
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -68.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -693.241885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.241885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.241885 (E_RNA)
where:
Base-Base interactions energy: -465.485
where: short stacking energy: -208.025
Base-Backbone interact. energy: 0.176
local terms energy: -227.931925
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -44.286
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -70.091
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -578.042392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.042392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.042392 (E_RNA)
where:
Base-Base interactions energy: -374.258
where: short stacking energy: -179.801
Base-Backbone interact. energy: -2.391
local terms energy: -201.393381
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -51.063
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -530.634219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.634219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.634219 (E_RNA)
where:
Base-Base interactions energy: -334.102
where: short stacking energy: -153.862
Base-Backbone interact. energy: -0.514
local terms energy: -196.018250
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -43.951
flat angles C4'-P-C4' energy: -42.068
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -44.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -552.559438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.559438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.559438 (E_RNA)
where:
Base-Base interactions energy: -358.780
where: short stacking energy: -157.941
Base-Backbone interact. energy: 0.811
local terms energy: -194.590809
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -29.539
tors. eta vs tors. theta energy: -42.690
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: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -446.773897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.773897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.773897 (E_RNA)
where:
Base-Base interactions energy: -274.911
where: short stacking energy: -138.937
Base-Backbone interact. energy: 3.132
local terms energy: -174.994345
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -39.983
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -36.678
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -375.910035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.910035 (E_RNA)
where:
Base-Base interactions energy: -234.184
where: short stacking energy: -106.635
Base-Backbone interact. energy: -1.651
local terms energy: -140.074668
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -40.621
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -189.762314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.762314 (E_RNA)
where:
Base-Base interactions energy: -75.083
where: short stacking energy: -71.183
Base-Backbone interact. energy: 0.843
local terms energy: -115.521498
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -179.929706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.929706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.929706 (E_RNA)
where:
Base-Base interactions energy: -62.773
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.095
local terms energy: -117.062603
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -729.621833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.621833 (E_RNA)
where:
Base-Base interactions energy: -508.133
where: short stacking energy: -230.582
Base-Backbone interact. energy: -0.318
local terms energy: -221.170487
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -71.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -690.412669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.412669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.412669 (E_RNA)
where:
Base-Base interactions energy: -464.377
where: short stacking energy: -209.595
Base-Backbone interact. energy: -0.584
local terms energy: -225.451156
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -35.308
flat angles C4'-P-C4' energy: -49.426
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -64.981
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: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -689.253710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.253710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.253710 (E_RNA)
where:
Base-Base interactions energy: -456.047
where: short stacking energy: -202.471
Base-Backbone interact. energy: 1.330
local terms energy: -234.536423
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -47.500
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -66.457
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: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -588.324962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.324962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.324962 (E_RNA)
where:
Base-Base interactions energy: -375.818
where: short stacking energy: -186.982
Base-Backbone interact. energy: -0.083
local terms energy: -212.423306
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -56.862
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: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -566.816960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.816960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.816960 (E_RNA)
where:
Base-Base interactions energy: -361.054
where: short stacking energy: -159.473
Base-Backbone interact. energy: 0.144
local terms energy: -205.907058
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -48.410
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -44.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -525.889982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.889982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.889982 (E_RNA)
where:
Base-Base interactions energy: -341.704
where: short stacking energy: -162.359
Base-Backbone interact. energy: -0.120
local terms energy: -184.065078
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -44.212
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -432.195148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.195148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.195148 (E_RNA)
where:
Base-Base interactions energy: -256.926
where: short stacking energy: -117.069
Base-Backbone interact. energy: -0.659
local terms energy: -174.610278
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -41.108
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -28.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -347.430807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.430807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.430807 (E_RNA)
where:
Base-Base interactions energy: -183.569
where: short stacking energy: -95.011
Base-Backbone interact. energy: 1.638
local terms energy: -165.499482
where:
bonds (distance) C4'-P energy: -41.857
bonds (distance) P-C4' energy: -43.940
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -190.104240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.104240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104240 (E_RNA)
where:
Base-Base interactions energy: -65.080
where: short stacking energy: -53.135
Base-Backbone interact. energy: 0.106
local terms energy: -125.129937
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -203.867093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.867093 (E_RNA)
where:
Base-Base interactions energy: -76.776
where: short stacking energy: -67.871
Base-Backbone interact. energy: 0.187
local terms energy: -127.278305
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -724.653251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.653251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.653251 (E_RNA)
where:
Base-Base interactions energy: -496.427
where: short stacking energy: -215.793
Base-Backbone interact. energy: -0.194
local terms energy: -228.032084
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -39.779
flat angles C4'-P-C4' energy: -44.211
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -66.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -683.333650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.333650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.333650 (E_RNA)
where:
Base-Base interactions energy: -458.549
where: short stacking energy: -209.532
Base-Backbone interact. energy: -1.355
local terms energy: -223.429366
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -39.439
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: -67.516
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -681.002710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.002710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.002710 (E_RNA)
where:
Base-Base interactions energy: -455.677
where: short stacking energy: -217.751
Base-Backbone interact. energy: -1.225
local terms energy: -224.101224
where:
bonds (distance) C4'-P energy: -37.390
bonds (distance) P-C4' energy: -44.945
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -70.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -591.123473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.123473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.123473 (E_RNA)
where:
Base-Base interactions energy: -381.978
where: short stacking energy: -172.747
Base-Backbone interact. energy: -0.392
local terms energy: -208.753415
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -50.754
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -575.755337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.755337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.755337 (E_RNA)
where:
Base-Base interactions energy: -382.566
where: short stacking energy: -177.606
Base-Backbone interact. energy: 0.892
local terms energy: -194.081725
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -55.377
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: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -474.917888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.917888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.917888 (E_RNA)
where:
Base-Base interactions energy: -312.884
where: short stacking energy: -148.757
Base-Backbone interact. energy: -0.359
local terms energy: -161.674724
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -502.949816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.949816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.949816 (E_RNA)
where:
Base-Base interactions energy: -323.938
where: short stacking energy: -147.781
Base-Backbone interact. energy: -0.681
local terms energy: -178.331635
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -35.875
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -39.768
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -343.141633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.141633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.141633 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -100.138
Base-Backbone interact. energy: -0.862
local terms energy: -133.476917
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -36.756
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -15.356
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: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -214.431143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.431143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.431143 (E_RNA)
where:
Base-Base interactions energy: -100.389
where: short stacking energy: -65.140
Base-Backbone interact. energy: -1.495
local terms energy: -112.546498
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -182.834105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.834105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.834105 (E_RNA)
where:
Base-Base interactions energy: -65.606
where: short stacking energy: -52.835
Base-Backbone interact. energy: 0.894
local terms energy: -118.121740
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -738.184558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.184558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.184558 (E_RNA)
where:
Base-Base interactions energy: -511.303
where: short stacking energy: -220.204
Base-Backbone interact. energy: -0.161
local terms energy: -226.720217
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -41.754
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -68.194
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: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -680.099358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.099358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.099358 (E_RNA)
where:
Base-Base interactions energy: -446.035
where: short stacking energy: -209.168
Base-Backbone interact. energy: -0.423
local terms energy: -233.641370
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -46.082
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: -69.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -677.949162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.949162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.949162 (E_RNA)
where:
Base-Base interactions energy: -446.894
where: short stacking energy: -199.566
Base-Backbone interact. energy: 0.482
local terms energy: -231.537026
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -41.151
flat angles C4'-P-C4' energy: -43.021
flat angles P-C4'-P energy: -32.054
tors. eta vs tors. theta energy: -69.810
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: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -561.913162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.913162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.913162 (E_RNA)
where:
Base-Base interactions energy: -368.653
where: short stacking energy: -176.283
Base-Backbone interact. energy: 2.273
local terms energy: -195.533170
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -41.437
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -49.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -573.345533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.345533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.345533 (E_RNA)
where:
Base-Base interactions energy: -387.712
where: short stacking energy: -169.618
Base-Backbone interact. energy: 3.792
local terms energy: -189.425844
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -50.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -484.075894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.075894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.075894 (E_RNA)
where:
Base-Base interactions energy: -301.509
where: short stacking energy: -134.954
Base-Backbone interact. energy: -0.543
local terms energy: -182.023868
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -493.144349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.144349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.144349 (E_RNA)
where:
Base-Base interactions energy: -318.129
where: short stacking energy: -146.298
Base-Backbone interact. energy: -0.373
local terms energy: -174.641573
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -40.094
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -32.093
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -348.239362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.239362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.239362 (E_RNA)
where:
Base-Base interactions energy: -192.328
where: short stacking energy: -101.372
Base-Backbone interact. energy: -0.394
local terms energy: -155.518002
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -211.746937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746937 (E_RNA)
where:
Base-Base interactions energy: -86.137
where: short stacking energy: -67.016
Base-Backbone interact. energy: -1.185
local terms energy: -124.424809
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -36.554
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: 2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -180.602945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.602945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.602945 (E_RNA)
where:
Base-Base interactions energy: -62.897
where: short stacking energy: -47.672
Base-Backbone interact. energy: -0.569
local terms energy: -117.137509
where:
bonds (distance) C4'-P energy: -39.961
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -720.167497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.167497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.167497 (E_RNA)
where:
Base-Base interactions energy: -490.100
where: short stacking energy: -223.609
Base-Backbone interact. energy: 1.238
local terms energy: -231.305167
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -43.255
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -63.132
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -722.875975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.875975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.875975 (E_RNA)
where:
Base-Base interactions energy: -485.654
where: short stacking energy: -229.255
Base-Backbone interact. energy: -0.843
local terms energy: -236.378653
where:
bonds (distance) C4'-P energy: -43.096
bonds (distance) P-C4' energy: -37.928
flat angles C4'-P-C4' energy: -48.259
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -673.228944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.228944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.228944 (E_RNA)
where:
Base-Base interactions energy: -459.247
where: short stacking energy: -202.150
Base-Backbone interact. energy: -0.374
local terms energy: -213.607527
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -67.646
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -553.666580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.666580 (E_RNA)
where:
Base-Base interactions energy: -364.623
where: short stacking energy: -155.203
Base-Backbone interact. energy: -2.077
local terms energy: -186.965784
where:
bonds (distance) C4'-P energy: -39.119
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -38.812
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -44.187
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -566.467402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.467402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.467402 (E_RNA)
where:
Base-Base interactions energy: -370.977
where: short stacking energy: -164.672
Base-Backbone interact. energy: 0.795
local terms energy: -196.285431
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -48.794
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: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -482.265271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.265271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.265271 (E_RNA)
where:
Base-Base interactions energy: -325.626
where: short stacking energy: -153.298
Base-Backbone interact. energy: 0.607
local terms energy: -157.246168
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -30.629
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -481.016761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.016761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.016761 (E_RNA)
where:
Base-Base interactions energy: -321.930
where: short stacking energy: -142.104
Base-Backbone interact. energy: -0.053
local terms energy: -159.033877
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -31.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -336.146528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.146528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.146528 (E_RNA)
where:
Base-Base interactions energy: -202.772
where: short stacking energy: -102.400
Base-Backbone interact. energy: 0.048
local terms energy: -133.422235
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -208.256569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256569 (E_RNA)
where:
Base-Base interactions energy: -94.504
where: short stacking energy: -43.439
Base-Backbone interact. energy: -1.163
local terms energy: -112.590114
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -34.052
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: 10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -195.551353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.551353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.551353 (E_RNA)
where:
Base-Base interactions energy: -83.870
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.774
local terms energy: -110.907007
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: 9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -723.901237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.901237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.901237 (E_RNA)
where:
Base-Base interactions energy: -495.046
where: short stacking energy: -220.063
Base-Backbone interact. energy: -0.698
local terms energy: -228.157243
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -37.944
flat angles C4'-P-C4' energy: -50.637
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -66.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -714.944098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.944098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.944098 (E_RNA)
where:
Base-Base interactions energy: -485.414
where: short stacking energy: -221.811
Base-Backbone interact. energy: 0.175
local terms energy: -229.705280
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -73.674
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: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -670.101501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.101501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.101501 (E_RNA)
where:
Base-Base interactions energy: -454.375
where: short stacking energy: -208.784
Base-Backbone interact. energy: -0.300
local terms energy: -215.426144
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -66.236
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -582.071674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.071674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.071674 (E_RNA)
where:
Base-Base interactions energy: -379.031
where: short stacking energy: -176.026
Base-Backbone interact. energy: -0.186
local terms energy: -202.853864
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -44.844
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -50.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -482.582697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.582697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.582697 (E_RNA)
where:
Base-Base interactions energy: -285.850
where: short stacking energy: -153.860
Base-Backbone interact. energy: -0.526
local terms energy: -196.206699
where:
bonds (distance) C4'-P energy: -34.292
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -48.250
flat angles P-C4'-P energy: -27.839
tors. eta vs tors. theta energy: -45.100
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -570.736507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.736507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.736507 (E_RNA)
where:
Base-Base interactions energy: -380.733
where: short stacking energy: -163.907
Base-Backbone interact. energy: -0.517
local terms energy: -189.487393
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -53.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -485.659369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.659369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.659369 (E_RNA)
where:
Base-Base interactions energy: -315.287
where: short stacking energy: -136.191
Base-Backbone interact. energy: -1.152
local terms energy: -169.220469
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -37.655
flat angles C4'-P-C4' energy: -39.692
flat angles P-C4'-P energy: -25.973
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: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -377.443246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.443246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.443246 (E_RNA)
where:
Base-Base interactions energy: -210.762
where: short stacking energy: -118.213
Base-Backbone interact. energy: -1.231
local terms energy: -165.450436
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -21.634
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -190.459364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.459364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.459364 (E_RNA)
where:
Base-Base interactions energy: -77.234
where: short stacking energy: -60.956
Base-Backbone interact. energy: 1.701
local terms energy: -114.925894
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -199.867949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867949 (E_RNA)
where:
Base-Base interactions energy: -73.411
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.474
local terms energy: -125.983100
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: 6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -745.911685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.911685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.911685 (E_RNA)
where:
Base-Base interactions energy: -505.110
where: short stacking energy: -225.292
Base-Backbone interact. energy: 0.010
local terms energy: -240.811888
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -71.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -694.690534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.690534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.690534 (E_RNA)
where:
Base-Base interactions energy: -463.547
where: short stacking energy: -210.171
Base-Backbone interact. energy: -1.124
local terms energy: -230.019320
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -44.901
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -69.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -675.155620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.155620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.155620 (E_RNA)
where:
Base-Base interactions energy: -454.995
where: short stacking energy: -220.441
Base-Backbone interact. energy: -0.335
local terms energy: -219.825920
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -40.315
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -64.618
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -592.871108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.871108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.871108 (E_RNA)
where:
Base-Base interactions energy: -394.733
where: short stacking energy: -182.623
Base-Backbone interact. energy: -0.671
local terms energy: -197.467677
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -49.480
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: 319
Temperature: 1.100000
Total energy: -478.222082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.222082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.222082 (E_RNA)
where:
Base-Base interactions energy: -301.357
where: short stacking energy: -143.957
Base-Backbone interact. energy: -2.139
local terms energy: -174.726641
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -47.509
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -37.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -537.974982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.974982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.974982 (E_RNA)
where:
Base-Base interactions energy: -353.560
where: short stacking energy: -162.559
Base-Backbone interact. energy: -0.072
local terms energy: -184.343931
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: -45.955
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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -488.274023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.274023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.274023 (E_RNA)
where:
Base-Base interactions energy: -305.457
where: short stacking energy: -144.514
Base-Backbone interact. energy: 0.145
local terms energy: -182.961800
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -31.987
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: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -382.844125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.844125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.844125 (E_RNA)
where:
Base-Base interactions energy: -225.045
where: short stacking energy: -124.941
Base-Backbone interact. energy: -0.355
local terms energy: -157.443732
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -195.895732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895732 (E_RNA)
where:
Base-Base interactions energy: -73.645
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.513
local terms energy: -121.738616
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -216.080725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.080725 (E_RNA)
where:
Base-Base interactions energy: -96.127
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.257
local terms energy: -119.697252
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -751.230653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.230653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.230653 (E_RNA)
where:
Base-Base interactions energy: -501.745
where: short stacking energy: -230.139
Base-Backbone interact. energy: -0.218
local terms energy: -249.266909
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -50.475
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -76.367
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -716.164470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.164470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.164470 (E_RNA)
where:
Base-Base interactions energy: -486.066
where: short stacking energy: -223.479
Base-Backbone interact. energy: -0.721
local terms energy: -229.377570
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -45.492
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -72.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -670.887757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.887757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.887757 (E_RNA)
where:
Base-Base interactions energy: -446.390
where: short stacking energy: -201.928
Base-Backbone interact. energy: -0.165
local terms energy: -224.333492
where:
bonds (distance) C4'-P energy: -40.243
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -33.309
tors. eta vs tors. theta energy: -66.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -618.283509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.283509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.283509 (E_RNA)
where:
Base-Base interactions energy: -419.849
where: short stacking energy: -197.859
Base-Backbone interact. energy: -0.220
local terms energy: -198.215291
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -54.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -564.560173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.560173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.560173 (E_RNA)
where:
Base-Base interactions energy: -386.204
where: short stacking energy: -177.331
Base-Backbone interact. energy: -0.295
local terms energy: -178.061112
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -45.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -455.321072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.321072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.321072 (E_RNA)
where:
Base-Base interactions energy: -275.430
where: short stacking energy: -147.368
Base-Backbone interact. energy: -0.364
local terms energy: -179.526683
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -50.128
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -28.841
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: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -491.345403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.345403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.345403 (E_RNA)
where:
Base-Base interactions energy: -317.436
where: short stacking energy: -143.714
Base-Backbone interact. energy: 1.917
local terms energy: -175.826805
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -28.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -353.835211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.835211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.835211 (E_RNA)
where:
Base-Base interactions energy: -190.569
where: short stacking energy: -93.527
Base-Backbone interact. energy: -0.378
local terms energy: -162.888337
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -195.257965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.257965 (E_RNA)
where:
Base-Base interactions energy: -77.764
where: short stacking energy: -73.900
Base-Backbone interact. energy: 2.061
local terms energy: -119.555925
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -7.374
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: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -192.426389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.426389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.426389 (E_RNA)
where:
Base-Base interactions energy: -66.547
where: short stacking energy: -55.372
Base-Backbone interact. energy: -0.753
local terms energy: -125.126646
where:
bonds (distance) C4'-P energy: -38.171
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -744.067988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.067988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.067988 (E_RNA)
where:
Base-Base interactions energy: -501.926
where: short stacking energy: -228.034
Base-Backbone interact. energy: -1.340
local terms energy: -240.801677
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -47.641
flat angles P-C4'-P energy: -34.360
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: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -682.186803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.186803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.186803 (E_RNA)
where:
Base-Base interactions energy: -445.234
where: short stacking energy: -190.347
Base-Backbone interact. energy: -0.544
local terms energy: -236.408492
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -45.730
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -66.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -695.643199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.643199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.643199 (E_RNA)
where:
Base-Base interactions energy: -450.552
where: short stacking energy: -209.165
Base-Backbone interact. energy: -0.547
local terms energy: -244.544222
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -48.730
flat angles C4'-P-C4' energy: -49.677
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -64.203
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: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -589.357595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.357595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.357595 (E_RNA)
where:
Base-Base interactions energy: -407.105
where: short stacking energy: -181.420
Base-Backbone interact. energy: -0.207
local terms energy: -182.045378
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -40.256
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -52.846
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: 321
Temperature: 1.100000
Total energy: -585.296054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.296054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.296054 (E_RNA)
where:
Base-Base interactions energy: -383.320
where: short stacking energy: -172.170
Base-Backbone interact. energy: -0.957
local terms energy: -201.019096
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -41.487
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -62.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -498.286103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.286103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.286103 (E_RNA)
where:
Base-Base interactions energy: -329.096
where: short stacking energy: -148.114
Base-Backbone interact. energy: 1.231
local terms energy: -170.421491
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -42.381
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -37.598
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: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -433.337566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.337566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.337566 (E_RNA)
where:
Base-Base interactions energy: -265.407
where: short stacking energy: -126.454
Base-Backbone interact. energy: -0.427
local terms energy: -167.503326
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -374.841298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.841298 (E_RNA)
where:
Base-Base interactions energy: -206.891
where: short stacking energy: -112.306
Base-Backbone interact. energy: -1.392
local terms energy: -166.559139
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -41.148
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -23.133
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: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -204.326230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326230 (E_RNA)
where:
Base-Base interactions energy: -77.654
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.360
local terms energy: -126.312138
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -191.205185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.205185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.205185 (E_RNA)
where:
Base-Base interactions energy: -66.917
where: short stacking energy: -47.161
Base-Backbone interact. energy: -0.258
local terms energy: -124.030132
where:
bonds (distance) C4'-P energy: -41.454
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: 2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -733.901829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.901829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.901829 (E_RNA)
where:
Base-Base interactions energy: -500.406
where: short stacking energy: -218.025
Base-Backbone interact. energy: -1.141
local terms energy: -232.354764
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -66.760
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: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -693.584125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.584125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.584125 (E_RNA)
where:
Base-Base interactions energy: -447.019
where: short stacking energy: -202.135
Base-Backbone interact. energy: 0.586
local terms energy: -247.151418
where:
bonds (distance) C4'-P energy: -41.751
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -70.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -670.052826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.052826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.052826 (E_RNA)
where:
Base-Base interactions energy: -435.348
where: short stacking energy: -211.759
Base-Backbone interact. energy: -0.907
local terms energy: -233.796946
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -46.181
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -73.290
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: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -607.436446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.436446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.436446 (E_RNA)
where:
Base-Base interactions energy: -410.331
where: short stacking energy: -185.791
Base-Backbone interact. energy: -0.145
local terms energy: -196.960372
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -48.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -569.852053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.852053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.852053 (E_RNA)
where:
Base-Base interactions energy: -389.500
where: short stacking energy: -166.058
Base-Backbone interact. energy: -1.169
local terms energy: -179.183368
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -517.838464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.838464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.838464 (E_RNA)
where:
Base-Base interactions energy: -336.053
where: short stacking energy: -153.818
Base-Backbone interact. energy: 1.422
local terms energy: -183.207533
where:
bonds (distance) C4'-P energy: -38.819
bonds (distance) P-C4' energy: -41.753
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -33.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -426.125435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.125435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.125435 (E_RNA)
where:
Base-Base interactions energy: -272.423
where: short stacking energy: -126.837
Base-Backbone interact. energy: -0.550
local terms energy: -153.152668
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -39.485
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -24.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -354.848671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.848671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.848671 (E_RNA)
where:
Base-Base interactions energy: -217.417
where: short stacking energy: -105.289
Base-Backbone interact. energy: 1.224
local terms energy: -138.655909
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -39.327
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -221.522439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.522439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.522439 (E_RNA)
where:
Base-Base interactions energy: -100.981
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.046
local terms energy: -120.495727
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -47.286
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: 2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -206.266299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.266299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.266299 (E_RNA)
where:
Base-Base interactions energy: -85.819
where: short stacking energy: -63.283
Base-Backbone interact. energy: -1.209
local terms energy: -119.238316
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -734.880267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.880267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.880267 (E_RNA)
where:
Base-Base interactions energy: -501.136
where: short stacking energy: -224.047
Base-Backbone interact. energy: -0.252
local terms energy: -233.492247
where:
bonds (distance) C4'-P energy: -44.284
bonds (distance) P-C4' energy: -35.190
flat angles C4'-P-C4' energy: -50.998
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -67.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -702.555535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.555535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.555535 (E_RNA)
where:
Base-Base interactions energy: -476.271
where: short stacking energy: -225.105
Base-Backbone interact. energy: -0.144
local terms energy: -226.140462
where:
bonds (distance) C4'-P energy: -45.699
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -70.760
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -670.550390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.550390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.550390 (E_RNA)
where:
Base-Base interactions energy: -443.592
where: short stacking energy: -198.712
Base-Backbone interact. energy: -1.664
local terms energy: -225.294060
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -66.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -594.810397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.810397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.810397 (E_RNA)
where:
Base-Base interactions energy: -380.899
where: short stacking energy: -174.236
Base-Backbone interact. energy: -0.235
local terms energy: -213.675862
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -57.871
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: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -575.731362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.731362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.731362 (E_RNA)
where:
Base-Base interactions energy: -379.387
where: short stacking energy: -167.924
Base-Backbone interact. energy: -0.831
local terms energy: -195.513410
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -51.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -467.619754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.619754 (E_RNA)
where:
Base-Base interactions energy: -294.071
where: short stacking energy: -142.959
Base-Backbone interact. energy: -0.391
local terms energy: -173.157087
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -36.601
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -39.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -485.189422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.189422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.189422 (E_RNA)
where:
Base-Base interactions energy: -313.717
where: short stacking energy: -142.069
Base-Backbone interact. energy: 0.475
local terms energy: -171.947929
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -41.679
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -31.292
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: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -371.301727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.301727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.301727 (E_RNA)
where:
Base-Base interactions energy: -207.891
where: short stacking energy: -115.687
Base-Backbone interact. energy: -0.607
local terms energy: -162.803661
where:
bonds (distance) C4'-P energy: -40.263
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -23.546
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: 323
Temperature: 1.300000
Total energy: -203.570038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.570038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570038 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -70.549
Base-Backbone interact. energy: 0.020
local terms energy: -114.629016
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -322.740940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.740940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.740940 (E_RNA)
where:
Base-Base interactions energy: -180.265
where: short stacking energy: -76.721
Base-Backbone interact. energy: -1.462
local terms energy: -141.013936
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -43.256
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -737.624223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.624223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.624223 (E_RNA)
where:
Base-Base interactions energy: -492.229
where: short stacking energy: -223.644
Base-Backbone interact. energy: -0.822
local terms energy: -244.573834
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -45.621
flat angles C4'-P-C4' energy: -48.546
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -71.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -693.392702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.392702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.392702 (E_RNA)
where:
Base-Base interactions energy: -459.161
where: short stacking energy: -214.749
Base-Backbone interact. energy: 0.900
local terms energy: -235.132033
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -49.589
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -69.744
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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -677.591866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.591866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.591866 (E_RNA)
where:
Base-Base interactions energy: -455.409
where: short stacking energy: -208.090
Base-Backbone interact. energy: -0.169
local terms energy: -222.013136
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -45.277
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -66.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -620.628604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.628604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.628604 (E_RNA)
where:
Base-Base interactions energy: -400.336
where: short stacking energy: -174.929
Base-Backbone interact. energy: 0.460
local terms energy: -220.752704
where:
bonds (distance) C4'-P energy: -48.623
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -41.853
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -58.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -553.575170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.575170 (E_RNA)
where:
Base-Base interactions energy: -358.572
where: short stacking energy: -157.239
Base-Backbone interact. energy: -0.772
local terms energy: -194.231491
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -48.595
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -44.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -451.409391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.409391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.409391 (E_RNA)
where:
Base-Base interactions energy: -284.606
where: short stacking energy: -144.566
Base-Backbone interact. energy: -0.814
local terms energy: -165.989042
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -31.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -515.363198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.363198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.363198 (E_RNA)
where:
Base-Base interactions energy: -338.582
where: short stacking energy: -159.159
Base-Backbone interact. energy: 0.651
local terms energy: -177.431996
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -42.638
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -35.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -353.422654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.422654 (E_RNA)
where:
Base-Base interactions energy: -195.781
where: short stacking energy: -98.106
Base-Backbone interact. energy: -0.963
local terms energy: -156.678720
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -41.344
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -382.718806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.718806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.718806 (E_RNA)
where:
Base-Base interactions energy: -227.944
where: short stacking energy: -91.854
Base-Backbone interact. energy: -0.748
local terms energy: -154.027046
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -41.117
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -20.726
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: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -195.614772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.614772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614772 (E_RNA)
where:
Base-Base interactions energy: -73.704
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.486
local terms energy: -121.425629
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -735.288115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.288115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.288115 (E_RNA)
where:
Base-Base interactions energy: -490.016
where: short stacking energy: -218.036
Base-Backbone interact. energy: -0.649
local terms energy: -244.623151
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -49.739
flat angles C4'-P-C4' energy: -48.436
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -68.103
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: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -693.504810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.504810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.504810 (E_RNA)
where:
Base-Base interactions energy: -461.215
where: short stacking energy: -217.627
Base-Backbone interact. energy: -0.250
local terms energy: -232.040656
where:
bonds (distance) C4'-P energy: -34.498
bonds (distance) P-C4' energy: -42.111
flat angles C4'-P-C4' energy: -50.247
flat angles P-C4'-P energy: -29.643
tors. eta vs tors. theta energy: -75.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -666.683204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.683204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.683204 (E_RNA)
where:
Base-Base interactions energy: -452.305
where: short stacking energy: -208.203
Base-Backbone interact. energy: -0.776
local terms energy: -213.601931
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -51.373
flat angles P-C4'-P energy: -27.657
tors. eta vs tors. theta energy: -58.618
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: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -599.384821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.384821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.384821 (E_RNA)
where:
Base-Base interactions energy: -404.190
where: short stacking energy: -175.352
Base-Backbone interact. energy: -1.171
local terms energy: -194.023693
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -23.988
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: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -548.064310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.064310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.064310 (E_RNA)
where:
Base-Base interactions energy: -351.972
where: short stacking energy: -161.571
Base-Backbone interact. energy: -0.647
local terms energy: -195.445427
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -48.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -483.981337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.981337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.981337 (E_RNA)
where:
Base-Base interactions energy: -305.988
where: short stacking energy: -139.797
Base-Backbone interact. energy: -0.458
local terms energy: -177.535273
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -32.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -434.398574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.398574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.398574 (E_RNA)
where:
Base-Base interactions energy: -268.884
where: short stacking energy: -131.290
Base-Backbone interact. energy: 0.921
local terms energy: -166.435314
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -38.541
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -29.367
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: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -348.304003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.304003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.304003 (E_RNA)
where:
Base-Base interactions energy: -198.458
where: short stacking energy: -96.561
Base-Backbone interact. energy: -1.443
local terms energy: -148.403394
where:
bonds (distance) C4'-P energy: -35.795
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -370.416082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.416082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.416082 (E_RNA)
where:
Base-Base interactions energy: -221.906
where: short stacking energy: -99.379
Base-Backbone interact. energy: -0.650
local terms energy: -147.860713
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -183.046580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.046580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.046580 (E_RNA)
where:
Base-Base interactions energy: -67.626
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.483
local terms energy: -114.937287
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: 4.367
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: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -759.605727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.605727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.605727 (E_RNA)
where:
Base-Base interactions energy: -524.891
where: short stacking energy: -243.717
Base-Backbone interact. energy: -0.013
local terms energy: -234.701961
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -30.352
flat angles C4'-P-C4' energy: -51.820
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -78.021
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: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -701.371892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.371892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.371892 (E_RNA)
where:
Base-Base interactions energy: -465.184
where: short stacking energy: -211.676
Base-Backbone interact. energy: -0.007
local terms energy: -236.180558
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -42.636
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -72.037
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: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -662.419641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.419641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.419641 (E_RNA)
where:
Base-Base interactions energy: -447.484
where: short stacking energy: -208.952
Base-Backbone interact. energy: -0.054
local terms energy: -214.880893
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -49.488
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -68.735
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: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -579.540756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.540756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.540756 (E_RNA)
where:
Base-Base interactions energy: -381.809
where: short stacking energy: -177.135
Base-Backbone interact. energy: -1.213
local terms energy: -196.518214
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -45.666
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -49.495
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: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -539.165554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.165554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.165554 (E_RNA)
where:
Base-Base interactions energy: -343.852
where: short stacking energy: -148.877
Base-Backbone interact. energy: 0.659
local terms energy: -195.971785
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -44.711
flat angles C4'-P-C4' energy: -42.532
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -40.091
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -481.716982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.716982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.716982 (E_RNA)
where:
Base-Base interactions energy: -316.340
where: short stacking energy: -135.117
Base-Backbone interact. energy: -1.020
local terms energy: -164.356061
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -426.317051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.317051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.317051 (E_RNA)
where:
Base-Base interactions energy: -267.300
where: short stacking energy: -119.017
Base-Backbone interact. energy: 0.487
local terms energy: -159.504139
where:
bonds (distance) C4'-P energy: -40.184
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -38.458
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -357.221288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.221288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.221288 (E_RNA)
where:
Base-Base interactions energy: -202.942
where: short stacking energy: -99.660
Base-Backbone interact. energy: -1.282
local terms energy: -152.996398
where:
bonds (distance) C4'-P energy: -38.776
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -26.875
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: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -387.982942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.982942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.982942 (E_RNA)
where:
Base-Base interactions energy: -247.517
where: short stacking energy: -100.247
Base-Backbone interact. energy: -1.734
local terms energy: -138.732699
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -40.919
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -192.681336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.681336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681336 (E_RNA)
where:
Base-Base interactions energy: -77.138
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.900
local terms energy: -114.643496
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -731.909142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.909142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.909142 (E_RNA)
where:
Base-Base interactions energy: -491.733
where: short stacking energy: -209.316
Base-Backbone interact. energy: -0.898
local terms energy: -239.278061
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -67.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -704.546968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.546968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.546968 (E_RNA)
where:
Base-Base interactions energy: -468.038
where: short stacking energy: -223.998
Base-Backbone interact. energy: -0.411
local terms energy: -236.098410
where:
bonds (distance) C4'-P energy: -38.398
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -67.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -663.044112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.044112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.044112 (E_RNA)
where:
Base-Base interactions energy: -434.324
where: short stacking energy: -207.843
Base-Backbone interact. energy: -0.314
local terms energy: -228.406155
where:
bonds (distance) C4'-P energy: -47.711
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -41.153
flat angles P-C4'-P energy: -34.197
tors. eta vs tors. theta energy: -65.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -610.353093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.353093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.353093 (E_RNA)
where:
Base-Base interactions energy: -412.012
where: short stacking energy: -195.216
Base-Backbone interact. energy: -0.232
local terms energy: -198.108913
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -40.450
flat angles C4'-P-C4' energy: -41.101
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -56.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -568.935775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.935775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.935775 (E_RNA)
where:
Base-Base interactions energy: -374.894
where: short stacking energy: -165.496
Base-Backbone interact. energy: 0.755
local terms energy: -194.796992
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -44.688
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -47.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -532.273672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.273672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.273672 (E_RNA)
where:
Base-Base interactions energy: -353.128
where: short stacking energy: -147.677
Base-Backbone interact. energy: -0.432
local terms energy: -178.713149
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -46.516
flat angles P-C4'-P energy: -25.183
tors. eta vs tors. theta energy: -39.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -425.104871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.104871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.104871 (E_RNA)
where:
Base-Base interactions energy: -260.582
where: short stacking energy: -110.981
Base-Backbone interact. energy: 0.252
local terms energy: -164.774895
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -45.886
flat angles C4'-P-C4' energy: -40.620
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -23.977
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: 327
Temperature: 1.250000
Total energy: -394.485318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.485318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.485318 (E_RNA)
where:
Base-Base interactions energy: -246.871
where: short stacking energy: -103.457
Base-Backbone interact. energy: -0.521
local terms energy: -147.092785
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -355.512987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.512987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.512987 (E_RNA)
where:
Base-Base interactions energy: -213.436
where: short stacking energy: -101.160
Base-Backbone interact. energy: 2.372
local terms energy: -144.448851
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -39.421
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -8.933
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: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -193.025626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.025626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.025626 (E_RNA)
where:
Base-Base interactions energy: -80.502
where: short stacking energy: -51.868
Base-Backbone interact. energy: 1.951
local terms energy: -114.474466
where:
bonds (distance) C4'-P energy: -40.389
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -745.275929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.275929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.275929 (E_RNA)
where:
Base-Base interactions energy: -507.452
where: short stacking energy: -214.564
Base-Backbone interact. energy: -1.062
local terms energy: -236.762098
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -43.932
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -70.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -722.864798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.864798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.864798 (E_RNA)
where:
Base-Base interactions energy: -485.047
where: short stacking energy: -233.872
Base-Backbone interact. energy: -0.011
local terms energy: -237.807110
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -75.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -635.468399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.468399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.468399 (E_RNA)
where:
Base-Base interactions energy: -407.162
where: short stacking energy: -190.844
Base-Backbone interact. energy: -0.337
local terms energy: -227.969376
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -46.646
flat angles C4'-P-C4' energy: -46.783
flat angles P-C4'-P energy: -31.706
tors. eta vs tors. theta energy: -54.591
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: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -655.715398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.715398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.715398 (E_RNA)
where:
Base-Base interactions energy: -448.573
where: short stacking energy: -202.322
Base-Backbone interact. energy: -0.737
local terms energy: -206.406047
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -63.461
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: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -559.902980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.902980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.902980 (E_RNA)
where:
Base-Base interactions energy: -357.518
where: short stacking energy: -177.067
Base-Backbone interact. energy: -0.285
local terms energy: -202.099669
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -38.109
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: -56.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -531.044918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.044918 (E_RNA)
where:
Base-Base interactions energy: -337.530
where: short stacking energy: -144.704
Base-Backbone interact. energy: 2.055
local terms energy: -195.569631
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -40.831
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: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -427.332821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.332821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.332821 (E_RNA)
where:
Base-Base interactions energy: -272.636
where: short stacking energy: -147.341
Base-Backbone interact. energy: -0.958
local terms energy: -153.738887
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -29.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -416.390806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.390806 (E_RNA)
where:
Base-Base interactions energy: -267.182
where: short stacking energy: -135.373
Base-Backbone interact. energy: 1.063
local terms energy: -150.271294
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -339.815943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.815943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.815943 (E_RNA)
where:
Base-Base interactions energy: -209.664
where: short stacking energy: -104.303
Base-Backbone interact. energy: -1.090
local terms energy: -129.061576
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -184.906667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.906667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.906667 (E_RNA)
where:
Base-Base interactions energy: -67.796
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.610
local terms energy: -116.500759
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -41.775
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: 3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -747.506898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.506898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.506898 (E_RNA)
where:
Base-Base interactions energy: -516.439
where: short stacking energy: -231.893
Base-Backbone interact. energy: 0.330
local terms energy: -231.398037
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -46.507
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -64.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -702.047526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.047526 (E_RNA)
where:
Base-Base interactions energy: -470.911
where: short stacking energy: -227.696
Base-Backbone interact. energy: -0.033
local terms energy: -231.103486
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -40.714
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -70.928
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: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -618.101483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.101483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.101483 (E_RNA)
where:
Base-Base interactions energy: -407.187
where: short stacking energy: -186.869
Base-Backbone interact. energy: -0.372
local terms energy: -210.542338
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -38.298
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -57.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -683.662934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.662934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.662934 (E_RNA)
where:
Base-Base interactions energy: -445.202
where: short stacking energy: -206.316
Base-Backbone interact. energy: -0.173
local terms energy: -238.287925
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -41.234
flat angles C4'-P-C4' energy: -42.993
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -69.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -552.543629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.543629 (E_RNA)
where:
Base-Base interactions energy: -356.943
where: short stacking energy: -165.353
Base-Backbone interact. energy: -0.057
local terms energy: -195.543045
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -41.197
flat angles C4'-P-C4' energy: -43.122
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -49.428
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: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -535.727291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.727291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.727291 (E_RNA)
where:
Base-Base interactions energy: -352.270
where: short stacking energy: -152.670
Base-Backbone interact. energy: 0.053
local terms energy: -183.510724
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -37.891
flat angles P-C4'-P energy: -32.675
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -420.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.983452 (E_RNA)
where:
Base-Base interactions energy: -261.999
where: short stacking energy: -106.756
Base-Backbone interact. energy: -0.614
local terms energy: -158.370943
where:
bonds (distance) C4'-P energy: -31.653
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -427.807187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.807187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.807187 (E_RNA)
where:
Base-Base interactions energy: -262.581
where: short stacking energy: -114.340
Base-Backbone interact. energy: 4.122
local terms energy: -169.348236
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -44.423
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -25.535
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -342.621642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.621642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.621642 (E_RNA)
where:
Base-Base interactions energy: -196.280
where: short stacking energy: -102.003
Base-Backbone interact. energy: -0.374
local terms energy: -145.967053
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -38.824
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -183.831952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.831952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.831952 (E_RNA)
where:
Base-Base interactions energy: -67.771
where: short stacking energy: -49.385
Base-Backbone interact. energy: 0.587
local terms energy: -116.647134
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: 3.715
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -745.107147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.107147 (E_RNA)
where:
Base-Base interactions energy: -503.045
where: short stacking energy: -222.346
Base-Backbone interact. energy: -0.105
local terms energy: -241.956675
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -72.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -681.154865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.154865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.154865 (E_RNA)
where:
Base-Base interactions energy: -446.764
where: short stacking energy: -202.802
Base-Backbone interact. energy: -0.107
local terms energy: -234.283452
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -42.955
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: -70.031
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -682.824511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.824511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.824511 (E_RNA)
where:
Base-Base interactions energy: -456.031
where: short stacking energy: -210.169
Base-Backbone interact. energy: -1.055
local terms energy: -225.738789
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -44.832
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: -69.599
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -603.475343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.475343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.475343 (E_RNA)
where:
Base-Base interactions energy: -404.627
where: short stacking energy: -192.703
Base-Backbone interact. energy: -0.115
local terms energy: -198.733397
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -43.626
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -55.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -556.892685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.892685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.892685 (E_RNA)
where:
Base-Base interactions energy: -368.378
where: short stacking energy: -169.434
Base-Backbone interact. energy: -1.337
local terms energy: -187.178042
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -513.573178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.573178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.573178 (E_RNA)
where:
Base-Base interactions energy: -324.497
where: short stacking energy: -164.555
Base-Backbone interact. energy: -0.934
local terms energy: -188.142489
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -46.773
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: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -437.902021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.902021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.902021 (E_RNA)
where:
Base-Base interactions energy: -276.138
where: short stacking energy: -120.594
Base-Backbone interact. energy: -0.608
local terms energy: -161.156379
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -427.853977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.853977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.853977 (E_RNA)
where:
Base-Base interactions energy: -273.284
where: short stacking energy: -118.903
Base-Backbone interact. energy: -0.893
local terms energy: -153.676479
where:
bonds (distance) C4'-P energy: -42.814
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -328.387567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.387567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.387567 (E_RNA)
where:
Base-Base interactions energy: -189.921
where: short stacking energy: -86.213
Base-Backbone interact. energy: -0.808
local terms energy: -137.658302
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -176.512573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512573 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.745
local terms energy: -114.629108
where:
bonds (distance) C4'-P energy: -41.040
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: 3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -728.348116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.348116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.348116 (E_RNA)
where:
Base-Base interactions energy: -493.379
where: short stacking energy: -223.414
Base-Backbone interact. energy: -0.633
local terms energy: -234.336068
where:
bonds (distance) C4'-P energy: -46.577
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -689.579756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.579756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.579756 (E_RNA)
where:
Base-Base interactions energy: -459.998
where: short stacking energy: -207.450
Base-Backbone interact. energy: -0.464
local terms energy: -229.117510
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -48.378
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -67.675
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: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -690.963754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.963754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.963754 (E_RNA)
where:
Base-Base interactions energy: -452.915
where: short stacking energy: -205.938
Base-Backbone interact. energy: -0.134
local terms energy: -237.914618
where:
bonds (distance) C4'-P energy: -45.400
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -68.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -614.155163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.155163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.155163 (E_RNA)
where:
Base-Base interactions energy: -413.069
where: short stacking energy: -195.768
Base-Backbone interact. energy: 0.973
local terms energy: -202.059133
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -45.675
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -51.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -551.546104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.546104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.546104 (E_RNA)
where:
Base-Base interactions energy: -368.460
where: short stacking energy: -152.030
Base-Backbone interact. energy: -1.274
local terms energy: -181.811730
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -39.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -540.816323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.816323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.816323 (E_RNA)
where:
Base-Base interactions energy: -352.468
where: short stacking energy: -153.161
Base-Backbone interact. energy: -1.222
local terms energy: -187.127179
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -44.690
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: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -450.450750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.450750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.450750 (E_RNA)
where:
Base-Base interactions energy: -287.951
where: short stacking energy: -142.792
Base-Backbone interact. energy: -0.242
local terms energy: -162.258236
where:
bonds (distance) C4'-P energy: -36.637
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -38.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -419.500395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.500395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.500395 (E_RNA)
where:
Base-Base interactions energy: -266.581
where: short stacking energy: -117.674
Base-Backbone interact. energy: -0.778
local terms energy: -152.141395
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -37.340
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -18.587
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: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -343.888289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.888289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.888289 (E_RNA)
where:
Base-Base interactions energy: -205.188
where: short stacking energy: -92.028
Base-Backbone interact. energy: -0.067
local terms energy: -138.633119
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -45.081
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -183.043010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.043010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.043010 (E_RNA)
where:
Base-Base interactions energy: -71.136
where: short stacking energy: -55.976
Base-Backbone interact. energy: -1.375
local terms energy: -110.531977
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: 5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -732.379526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.379526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.379526 (E_RNA)
where:
Base-Base interactions energy: -505.037
where: short stacking energy: -223.645
Base-Backbone interact. energy: -0.983
local terms energy: -226.359879
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -42.310
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -71.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -694.945140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.945140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.945140 (E_RNA)
where:
Base-Base interactions energy: -470.927
where: short stacking energy: -225.442
Base-Backbone interact. energy: -1.612
local terms energy: -222.406477
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -70.310
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: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -692.062156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.062156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.062156 (E_RNA)
where:
Base-Base interactions energy: -461.688
where: short stacking energy: -210.514
Base-Backbone interact. energy: 0.201
local terms energy: -230.575217
where:
bonds (distance) C4'-P energy: -39.338
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -43.914
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -67.357
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: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -615.866549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.866549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.866549 (E_RNA)
where:
Base-Base interactions energy: -393.891
where: short stacking energy: -180.446
Base-Backbone interact. energy: 1.876
local terms energy: -223.851654
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -62.610
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -561.161429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.161429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.161429 (E_RNA)
where:
Base-Base interactions energy: -373.423
where: short stacking energy: -173.550
Base-Backbone interact. energy: -0.838
local terms energy: -186.900414
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -43.550
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -48.577
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: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -531.324665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.324665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.324665 (E_RNA)
where:
Base-Base interactions energy: -349.785
where: short stacking energy: -149.047
Base-Backbone interact. energy: -0.434
local terms energy: -181.106479
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -44.415
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -26.152
tors. eta vs tors. theta energy: -45.225
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: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -447.497736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.497736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.497736 (E_RNA)
where:
Base-Base interactions energy: -275.003
where: short stacking energy: -127.244
Base-Backbone interact. energy: -0.255
local terms energy: -172.239449
where:
bonds (distance) C4'-P energy: -40.813
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -23.260
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: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -394.719353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.719353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.719353 (E_RNA)
where:
Base-Base interactions energy: -235.993
where: short stacking energy: -109.005
Base-Backbone interact. energy: -0.947
local terms energy: -157.779063
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -347.858767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.858767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.858767 (E_RNA)
where:
Base-Base interactions energy: -204.314
where: short stacking energy: -99.016
Base-Backbone interact. energy: -1.248
local terms energy: -142.297284
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -196.632880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.632880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.632880 (E_RNA)
where:
Base-Base interactions energy: -66.606
where: short stacking energy: -67.106
Base-Backbone interact. energy: -1.098
local terms energy: -128.929105
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -752.721805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.721805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.721805 (E_RNA)
where:
Base-Base interactions energy: -504.561
where: short stacking energy: -225.243
Base-Backbone interact. energy: -0.264
local terms energy: -247.896451
where:
bonds (distance) C4'-P energy: -42.103
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: -71.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -704.479569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.479569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.479569 (E_RNA)
where:
Base-Base interactions energy: -469.036
where: short stacking energy: -216.694
Base-Backbone interact. energy: -0.315
local terms energy: -235.128480
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -43.935
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -72.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -695.276592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.276592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.276592 (E_RNA)
where:
Base-Base interactions energy: -460.856
where: short stacking energy: -221.298
Base-Backbone interact. energy: -1.075
local terms energy: -233.346041
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -71.142
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: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -620.803907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.803907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.803907 (E_RNA)
where:
Base-Base interactions energy: -404.640
where: short stacking energy: -195.685
Base-Backbone interact. energy: -0.045
local terms energy: -216.118407
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -47.507
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -58.052
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -554.973805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.973805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.973805 (E_RNA)
where:
Base-Base interactions energy: -350.869
where: short stacking energy: -154.508
Base-Backbone interact. energy: -0.352
local terms energy: -203.752666
where:
bonds (distance) C4'-P energy: -40.551
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -50.204
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: 333
Temperature: 1.150000
Total energy: -547.087629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.087629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.087629 (E_RNA)
where:
Base-Base interactions energy: -359.550
where: short stacking energy: -160.642
Base-Backbone interact. energy: 0.279
local terms energy: -187.816619
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -39.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -425.745070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.745070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.745070 (E_RNA)
where:
Base-Base interactions energy: -260.634
where: short stacking energy: -119.587
Base-Backbone interact. energy: -0.792
local terms energy: -164.318278
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -392.246957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.246957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.246957 (E_RNA)
where:
Base-Base interactions energy: -229.908
where: short stacking energy: -114.174
Base-Backbone interact. energy: -0.340
local terms energy: -161.999399
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -324.243875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.243875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.243875 (E_RNA)
where:
Base-Base interactions energy: -175.272
where: short stacking energy: -81.789
Base-Backbone interact. energy: -2.496
local terms energy: -146.475558
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -39.218
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -177.901284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.901284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.901284 (E_RNA)
where:
Base-Base interactions energy: -77.111
where: short stacking energy: -56.462
Base-Backbone interact. energy: -0.954
local terms energy: -99.836169
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: 6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -756.607672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.607672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.607672 (E_RNA)
where:
Base-Base interactions energy: -515.138
where: short stacking energy: -228.309
Base-Backbone interact. energy: -0.976
local terms energy: -240.493287
where:
bonds (distance) C4'-P energy: -43.469
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -72.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -720.860184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.860184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.860184 (E_RNA)
where:
Base-Base interactions energy: -480.789
where: short stacking energy: -220.520
Base-Backbone interact. energy: -2.380
local terms energy: -237.691282
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: -71.828
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: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -672.877360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.877360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.877360 (E_RNA)
where:
Base-Base interactions energy: -457.922
where: short stacking energy: -215.661
Base-Backbone interact. energy: -0.647
local terms energy: -214.308506
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -47.419
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -68.190
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -612.971107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.971107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.971107 (E_RNA)
where:
Base-Base interactions energy: -393.059
where: short stacking energy: -190.021
Base-Backbone interact. energy: -0.636
local terms energy: -219.276152
where:
bonds (distance) C4'-P energy: -45.075
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -61.000
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: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -576.278490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.278490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.278490 (E_RNA)
where:
Base-Base interactions energy: -380.710
where: short stacking energy: -169.262
Base-Backbone interact. energy: -0.472
local terms energy: -195.097360
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -42.996
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -49.035
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: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -526.226560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.226560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.226560 (E_RNA)
where:
Base-Base interactions energy: -335.088
where: short stacking energy: -156.411
Base-Backbone interact. energy: -0.250
local terms energy: -190.888824
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -46.351
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -47.140
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: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -421.605285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.605285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.605285 (E_RNA)
where:
Base-Base interactions energy: -249.453
where: short stacking energy: -115.599
Base-Backbone interact. energy: 0.856
local terms energy: -173.007792
where:
bonds (distance) C4'-P energy: -40.160
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -42.031
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -24.459
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: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -353.255600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.255600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.255600 (E_RNA)
where:
Base-Base interactions energy: -204.344
where: short stacking energy: -104.927
Base-Backbone interact. energy: -1.385
local terms energy: -147.526824
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -295.742136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.742136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.742136 (E_RNA)
where:
Base-Base interactions energy: -162.976
where: short stacking energy: -75.544
Base-Backbone interact. energy: 0.182
local terms energy: -132.947732
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -27.135
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -189.768034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.768034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.768034 (E_RNA)
where:
Base-Base interactions energy: -66.713
where: short stacking energy: -50.821
Base-Backbone interact. energy: 2.198
local terms energy: -125.252567
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -746.054079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.054079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.054079 (E_RNA)
where:
Base-Base interactions energy: -499.553
where: short stacking energy: -228.619
Base-Backbone interact. energy: -0.599
local terms energy: -245.901934
where:
bonds (distance) C4'-P energy: -42.959
bonds (distance) P-C4' energy: -45.078
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -73.146
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -711.057325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.057325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.057325 (E_RNA)
where:
Base-Base interactions energy: -469.647
where: short stacking energy: -225.278
Base-Backbone interact. energy: -0.576
local terms energy: -240.834499
where:
bonds (distance) C4'-P energy: -35.478
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -51.870
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -70.241
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -653.090053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.090053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.090053 (E_RNA)
where:
Base-Base interactions energy: -427.589
where: short stacking energy: -205.037
Base-Backbone interact. energy: -0.138
local terms energy: -225.362987
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -66.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -584.348007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.348007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.348007 (E_RNA)
where:
Base-Base interactions energy: -385.246
where: short stacking energy: -171.579
Base-Backbone interact. energy: 1.476
local terms energy: -200.577851
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -44.518
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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -594.208836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.208836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.208836 (E_RNA)
where:
Base-Base interactions energy: -396.429
where: short stacking energy: -195.406
Base-Backbone interact. energy: -0.080
local terms energy: -197.700038
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -56.719
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: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -539.390369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.390369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.390369 (E_RNA)
where:
Base-Base interactions energy: -368.328
where: short stacking energy: -150.642
Base-Backbone interact. energy: -0.057
local terms energy: -171.005129
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -41.085
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -37.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -427.914220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.914220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.914220 (E_RNA)
where:
Base-Base interactions energy: -268.719
where: short stacking energy: -128.886
Base-Backbone interact. energy: 1.457
local terms energy: -160.652750
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -40.997
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -324.609887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.609887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.609887 (E_RNA)
where:
Base-Base interactions energy: -178.434
where: short stacking energy: -96.057
Base-Backbone interact. energy: 0.819
local terms energy: -146.995453
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -360.253859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.253859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.253859 (E_RNA)
where:
Base-Base interactions energy: -209.419
where: short stacking energy: -87.531
Base-Backbone interact. energy: -0.508
local terms energy: -150.327097
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -190.225152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225152 (E_RNA)
where:
Base-Base interactions energy: -71.889
where: short stacking energy: -70.461
Base-Backbone interact. energy: -1.368
local terms energy: -116.968135
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -739.582790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.582790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.582790 (E_RNA)
where:
Base-Base interactions energy: -494.005
where: short stacking energy: -218.453
Base-Backbone interact. energy: -0.160
local terms energy: -245.418039
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -67.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -710.508401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.508401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.508401 (E_RNA)
where:
Base-Base interactions energy: -474.992
where: short stacking energy: -219.646
Base-Backbone interact. energy: -0.861
local terms energy: -234.656281
where:
bonds (distance) C4'-P energy: -37.713
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -49.974
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -72.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -609.629685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.629685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.629685 (E_RNA)
where:
Base-Base interactions energy: -409.230
where: short stacking energy: -198.991
Base-Backbone interact. energy: -0.815
local terms energy: -199.584324
where:
bonds (distance) C4'-P energy: -41.444
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -52.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -647.123663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.123663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.123663 (E_RNA)
where:
Base-Base interactions energy: -440.750
where: short stacking energy: -208.160
Base-Backbone interact. energy: -0.005
local terms energy: -206.369493
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -65.721
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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -587.414716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.414716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.414716 (E_RNA)
where:
Base-Base interactions energy: -396.446
where: short stacking energy: -170.686
Base-Backbone interact. energy: -1.086
local terms energy: -189.882725
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -50.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -559.952886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.952886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.952886 (E_RNA)
where:
Base-Base interactions energy: -367.135
where: short stacking energy: -155.046
Base-Backbone interact. energy: -0.907
local terms energy: -191.910383
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -47.593
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -42.652
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: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -423.778134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.778134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.778134 (E_RNA)
where:
Base-Base interactions energy: -268.994
where: short stacking energy: -119.736
Base-Backbone interact. energy: -2.784
local terms energy: -152.000652
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -356.447329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.447329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.447329 (E_RNA)
where:
Base-Base interactions energy: -202.217
where: short stacking energy: -104.126
Base-Backbone interact. energy: -1.589
local terms energy: -152.641209
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -379.225642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.225642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.225642 (E_RNA)
where:
Base-Base interactions energy: -236.592
where: short stacking energy: -119.474
Base-Backbone interact. energy: -1.075
local terms energy: -141.558539
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -26.692
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: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -200.985405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.985405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.985405 (E_RNA)
where:
Base-Base interactions energy: -85.976
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.373
local terms energy: -114.636943
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -40.182
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -747.876397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.876397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.876397 (E_RNA)
where:
Base-Base interactions energy: -521.355
where: short stacking energy: -231.991
Base-Backbone interact. energy: 3.353
local terms energy: -229.873672
where:
bonds (distance) C4'-P energy: -38.152
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -44.244
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -69.416
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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -698.342345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.342345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.342345 (E_RNA)
where:
Base-Base interactions energy: -469.197
where: short stacking energy: -215.429
Base-Backbone interact. energy: 1.809
local terms energy: -230.954380
where:
bonds (distance) C4'-P energy: -43.613
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -70.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -628.967299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.967299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.967299 (E_RNA)
where:
Base-Base interactions energy: -421.679
where: short stacking energy: -184.031
Base-Backbone interact. energy: -0.584
local terms energy: -206.704380
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -52.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -643.778030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.778030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.778030 (E_RNA)
where:
Base-Base interactions energy: -440.786
where: short stacking energy: -190.006
Base-Backbone interact. energy: -0.966
local terms energy: -202.025861
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -61.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -564.985233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.985233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.985233 (E_RNA)
where:
Base-Base interactions energy: -380.097
where: short stacking energy: -158.767
Base-Backbone interact. energy: -0.541
local terms energy: -184.347343
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -536.530195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.530195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.530195 (E_RNA)
where:
Base-Base interactions energy: -342.695
where: short stacking energy: -159.760
Base-Backbone interact. energy: -1.478
local terms energy: -192.356776
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -32.655
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: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -424.628693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.628693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.628693 (E_RNA)
where:
Base-Base interactions energy: -264.408
where: short stacking energy: -116.214
Base-Backbone interact. energy: 3.770
local terms energy: -163.990036
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -26.705
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: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -400.529047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.529047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.529047 (E_RNA)
where:
Base-Base interactions energy: -251.861
where: short stacking energy: -127.133
Base-Backbone interact. energy: 0.849
local terms energy: -149.517230
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -315.579695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.579695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.579695 (E_RNA)
where:
Base-Base interactions energy: -176.407
where: short stacking energy: -84.585
Base-Backbone interact. energy: 0.858
local terms energy: -140.030850
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -180.789804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.789804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.789804 (E_RNA)
where:
Base-Base interactions energy: -71.827
where: short stacking energy: -48.641
Base-Backbone interact. energy: 1.162
local terms energy: -110.124696
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: 11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -737.564704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.564704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.564704 (E_RNA)
where:
Base-Base interactions energy: -493.501
where: short stacking energy: -220.022
Base-Backbone interact. energy: -0.367
local terms energy: -243.697082
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -45.927
flat angles C4'-P-C4' energy: -46.968
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -72.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -692.547659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.547659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.547659 (E_RNA)
where:
Base-Base interactions energy: -466.146
where: short stacking energy: -211.081
Base-Backbone interact. energy: -0.464
local terms energy: -225.937217
where:
bonds (distance) C4'-P energy: -37.632
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -45.105
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -677.699902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.699902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.699902 (E_RNA)
where:
Base-Base interactions energy: -456.230
where: short stacking energy: -208.839
Base-Backbone interact. energy: -0.534
local terms energy: -220.935910
where:
bonds (distance) C4'-P energy: -34.340
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -63.728
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: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -599.608683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.608683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.608683 (E_RNA)
where:
Base-Base interactions energy: -394.072
where: short stacking energy: -179.075
Base-Backbone interact. energy: -0.370
local terms energy: -205.166720
where:
bonds (distance) C4'-P energy: -39.719
bonds (distance) P-C4' energy: -40.999
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -47.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -588.389893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.389893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.389893 (E_RNA)
where:
Base-Base interactions energy: -385.992
where: short stacking energy: -175.267
Base-Backbone interact. energy: -0.306
local terms energy: -202.091730
where:
bonds (distance) C4'-P energy: -39.098
bonds (distance) P-C4' energy: -45.581
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -55.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -504.591296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.591296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.591296 (E_RNA)
where:
Base-Base interactions energy: -333.904
where: short stacking energy: -145.435
Base-Backbone interact. energy: -1.633
local terms energy: -169.054388
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -430.677109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.677109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.677109 (E_RNA)
where:
Base-Base interactions energy: -274.339
where: short stacking energy: -132.672
Base-Backbone interact. energy: -0.156
local terms energy: -156.182457
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -395.361798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.361798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.361798 (E_RNA)
where:
Base-Base interactions energy: -239.819
where: short stacking energy: -100.437
Base-Backbone interact. energy: 0.142
local terms energy: -155.685314
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -35.827
flat angles C4'-P-C4' energy: -41.118
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -318.850866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.850866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.850866 (E_RNA)
where:
Base-Base interactions energy: -180.288
where: short stacking energy: -87.710
Base-Backbone interact. energy: -0.744
local terms energy: -137.818621
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -188.315051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.315051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.315051 (E_RNA)
where:
Base-Base interactions energy: -69.380
where: short stacking energy: -53.831
Base-Backbone interact. energy: 0.221
local terms energy: -119.156261
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -25.384
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -745.006048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.006048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.006048 (E_RNA)
where:
Base-Base interactions energy: -501.931
where: short stacking energy: -227.246
Base-Backbone interact. energy: -0.334
local terms energy: -242.740717
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -41.739
flat angles C4'-P-C4' energy: -49.300
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -77.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -695.188207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.188207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.188207 (E_RNA)
where:
Base-Base interactions energy: -469.718
where: short stacking energy: -217.939
Base-Backbone interact. energy: -0.516
local terms energy: -224.954734
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -49.191
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -68.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -701.871131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.871131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.871131 (E_RNA)
where:
Base-Base interactions energy: -469.575
where: short stacking energy: -214.972
Base-Backbone interact. energy: -0.528
local terms energy: -231.768391
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -48.073
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -73.073
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: 339
Temperature: 1.050000
Total energy: -589.034189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.034189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.034189 (E_RNA)
where:
Base-Base interactions energy: -390.960
where: short stacking energy: -175.337
Base-Backbone interact. energy: -0.416
local terms energy: -197.658566
where:
bonds (distance) C4'-P energy: -40.478
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -47.878
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -45.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -594.193686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.193686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.193686 (E_RNA)
where:
Base-Base interactions energy: -382.841
where: short stacking energy: -167.835
Base-Backbone interact. energy: -0.073
local terms energy: -211.279403
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -46.920
flat angles P-C4'-P energy: -29.495
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -525.957227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.957227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.957227 (E_RNA)
where:
Base-Base interactions energy: -340.311
where: short stacking energy: -151.819
Base-Backbone interact. energy: -0.270
local terms energy: -185.376429
where:
bonds (distance) C4'-P energy: -36.927
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -45.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -432.662487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.662487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.662487 (E_RNA)
where:
Base-Base interactions energy: -254.432
where: short stacking energy: -107.044
Base-Backbone interact. energy: -0.808
local terms energy: -177.421705
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -43.034
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -370.142882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.142882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.142882 (E_RNA)
where:
Base-Base interactions energy: -206.323
where: short stacking energy: -100.046
Base-Backbone interact. energy: 0.241
local terms energy: -164.060767
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -38.460
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -321.444697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.444697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.444697 (E_RNA)
where:
Base-Base interactions energy: -197.826
where: short stacking energy: -99.593
Base-Backbone interact. energy: 2.249
local terms energy: -125.866938
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -176.762927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.762927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.762927 (E_RNA)
where:
Base-Base interactions energy: -53.223
where: short stacking energy: -39.111
Base-Backbone interact. energy: -0.408
local terms energy: -123.131433
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: 4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -742.229311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.229311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.229311 (E_RNA)
where:
Base-Base interactions energy: -497.480
where: short stacking energy: -230.424
Base-Backbone interact. energy: -0.589
local terms energy: -244.160703
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -52.932
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -71.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -696.469901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.469901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.469901 (E_RNA)
where:
Base-Base interactions energy: -461.304
where: short stacking energy: -218.292
Base-Backbone interact. energy: -0.329
local terms energy: -234.836375
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -73.108
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: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -711.850554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.850554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.850554 (E_RNA)
where:
Base-Base interactions energy: -468.951
where: short stacking energy: -212.434
Base-Backbone interact. energy: -0.209
local terms energy: -242.690103
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -75.690
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: 340
Temperature: 1.050000
Total energy: -605.466758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.466758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.466758 (E_RNA)
where:
Base-Base interactions energy: -409.705
where: short stacking energy: -199.240
Base-Backbone interact. energy: -0.389
local terms energy: -195.373340
where:
bonds (distance) C4'-P energy: -35.678
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -45.492
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -58.038
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: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -550.778256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.778256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.778256 (E_RNA)
where:
Base-Base interactions energy: -361.588
where: short stacking energy: -159.583
Base-Backbone interact. energy: -1.069
local terms energy: -188.121445
where:
bonds (distance) C4'-P energy: -37.374
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -44.759
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -44.644
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: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -549.520933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.520933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.520933 (E_RNA)
where:
Base-Base interactions energy: -364.642
where: short stacking energy: -165.855
Base-Backbone interact. energy: -0.341
local terms energy: -184.537866
where:
bonds (distance) C4'-P energy: -31.149
bonds (distance) P-C4' energy: -39.989
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -436.895837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.895837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.895837 (E_RNA)
where:
Base-Base interactions energy: -271.630
where: short stacking energy: -120.827
Base-Backbone interact. energy: -0.150
local terms energy: -165.115103
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -417.833112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.833112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.833112 (E_RNA)
where:
Base-Base interactions energy: -273.873
where: short stacking energy: -121.622
Base-Backbone interact. energy: -1.617
local terms energy: -142.343130
where:
bonds (distance) C4'-P energy: -38.960
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -325.089315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.089315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.089315 (E_RNA)
where:
Base-Base interactions energy: -186.343
where: short stacking energy: -87.816
Base-Backbone interact. energy: -1.081
local terms energy: -137.665803
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -13.826
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: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -182.963287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.963287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.963287 (E_RNA)
where:
Base-Base interactions energy: -67.248
where: short stacking energy: -59.716
Base-Backbone interact. energy: 3.115
local terms energy: -118.830115
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -43.799
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: 5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -728.967468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.967468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.967468 (E_RNA)
where:
Base-Base interactions energy: -490.067
where: short stacking energy: -210.057
Base-Backbone interact. energy: -1.280
local terms energy: -237.620635
where:
bonds (distance) C4'-P energy: -43.942
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -47.624
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -65.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -701.561263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.561263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.561263 (E_RNA)
where:
Base-Base interactions energy: -464.285
where: short stacking energy: -225.983
Base-Backbone interact. energy: -0.756
local terms energy: -236.520596
where:
bonds (distance) C4'-P energy: -42.533
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -72.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -687.714833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.714833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.714833 (E_RNA)
where:
Base-Base interactions energy: -460.610
where: short stacking energy: -217.245
Base-Backbone interact. energy: -0.250
local terms energy: -226.855396
where:
bonds (distance) C4'-P energy: -38.242
bonds (distance) P-C4' energy: -40.235
flat angles C4'-P-C4' energy: -45.166
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -74.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -595.237682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.237682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.237682 (E_RNA)
where:
Base-Base interactions energy: -396.199
where: short stacking energy: -189.635
Base-Backbone interact. energy: -0.798
local terms energy: -198.240902
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -44.231
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -47.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -563.169934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.169934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.169934 (E_RNA)
where:
Base-Base interactions energy: -360.077
where: short stacking energy: -184.431
Base-Backbone interact. energy: -0.142
local terms energy: -202.950866
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -40.779
flat angles C4'-P-C4' energy: -43.070
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -51.705
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: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -562.229791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.229791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.229791 (E_RNA)
where:
Base-Base interactions energy: -351.241
where: short stacking energy: -166.027
Base-Backbone interact. energy: -0.644
local terms energy: -210.344813
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -50.086
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: -51.813
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: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -432.203622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.203622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.203622 (E_RNA)
where:
Base-Base interactions energy: -262.704
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.167
local terms energy: -169.333312
where:
bonds (distance) C4'-P energy: -37.498
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -40.562
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -27.085
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: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -355.221039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.221039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.221039 (E_RNA)
where:
Base-Base interactions energy: -213.497
where: short stacking energy: -113.200
Base-Backbone interact. energy: 0.513
local terms energy: -142.237120
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -385.359625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.359625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.359625 (E_RNA)
where:
Base-Base interactions energy: -247.196
where: short stacking energy: -109.169
Base-Backbone interact. energy: 0.310
local terms energy: -138.473601
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -181.033927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.033927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.033927 (E_RNA)
where:
Base-Base interactions energy: -82.350
where: short stacking energy: -75.184
Base-Backbone interact. energy: -1.848
local terms energy: -96.836685
where:
bonds (distance) C4'-P energy: -37.916
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -29.838
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: 3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -710.588156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.588156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.588156 (E_RNA)
where:
Base-Base interactions energy: -477.967
where: short stacking energy: -232.496
Base-Backbone interact. energy: -0.059
local terms energy: -232.561971
where:
bonds (distance) C4'-P energy: -40.415
bonds (distance) P-C4' energy: -45.041
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -31.463
tors. eta vs tors. theta energy: -73.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -719.413877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.413877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.413877 (E_RNA)
where:
Base-Base interactions energy: -487.230
where: short stacking energy: -212.917
Base-Backbone interact. energy: -1.423
local terms energy: -230.760242
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -41.413
flat angles C4'-P-C4' energy: -43.867
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -65.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -685.370883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.370883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.370883 (E_RNA)
where:
Base-Base interactions energy: -452.574
where: short stacking energy: -205.464
Base-Backbone interact. energy: -0.319
local terms energy: -232.477232
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -40.766
flat angles C4'-P-C4' energy: -45.253
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -71.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -613.131149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.131149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.131149 (E_RNA)
where:
Base-Base interactions energy: -395.005
where: short stacking energy: -184.386
Base-Backbone interact. energy: -0.669
local terms energy: -217.457767
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -41.874
flat angles C4'-P-C4' energy: -46.580
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -55.059
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: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -548.311225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.311225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.311225 (E_RNA)
where:
Base-Base interactions energy: -362.025
where: short stacking energy: -156.076
Base-Backbone interact. energy: -0.999
local terms energy: -185.286968
where:
bonds (distance) C4'-P energy: -41.097
bonds (distance) P-C4' energy: -41.063
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -39.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -558.077033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.077033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.077033 (E_RNA)
where:
Base-Base interactions energy: -367.239
where: short stacking energy: -170.892
Base-Backbone interact. energy: 1.349
local terms energy: -192.187915
where:
bonds (distance) C4'-P energy: -37.117
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -50.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -439.100720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.100720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.100720 (E_RNA)
where:
Base-Base interactions energy: -280.214
where: short stacking energy: -132.241
Base-Backbone interact. energy: -0.418
local terms energy: -158.469484
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -41.839
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -352.733354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.733354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.733354 (E_RNA)
where:
Base-Base interactions energy: -215.043
where: short stacking energy: -110.615
Base-Backbone interact. energy: 0.350
local terms energy: -138.039849
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -347.998620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.998620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.998620 (E_RNA)
where:
Base-Base interactions energy: -210.046
where: short stacking energy: -77.301
Base-Backbone interact. energy: -0.866
local terms energy: -137.086742
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -42.416
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -184.181794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.181794 (E_RNA)
where:
Base-Base interactions energy: -73.715
where: short stacking energy: -59.175
Base-Backbone interact. energy: 3.081
local terms energy: -113.547487
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: 11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -711.853633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.853633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.853633 (E_RNA)
where:
Base-Base interactions energy: -472.929
where: short stacking energy: -230.921
Base-Backbone interact. energy: -2.483
local terms energy: -236.442537
where:
bonds (distance) C4'-P energy: -42.429
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -68.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -705.285547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.285547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.285547 (E_RNA)
where:
Base-Base interactions energy: -456.410
where: short stacking energy: -214.010
Base-Backbone interact. energy: -0.219
local terms energy: -248.656738
where:
bonds (distance) C4'-P energy: -44.006
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -37.353
tors. eta vs tors. theta energy: -73.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -697.931896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.931896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.931896 (E_RNA)
where:
Base-Base interactions energy: -480.860
where: short stacking energy: -214.545
Base-Backbone interact. energy: 0.388
local terms energy: -217.460224
where:
bonds (distance) C4'-P energy: -43.998
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -62.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -601.124695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.124695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.124695 (E_RNA)
where:
Base-Base interactions energy: -405.542
where: short stacking energy: -193.335
Base-Backbone interact. energy: -0.320
local terms energy: -195.261817
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -34.569
flat angles C4'-P-C4' energy: -40.649
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -50.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -555.055116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.055116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.055116 (E_RNA)
where:
Base-Base interactions energy: -359.492
where: short stacking energy: -165.134
Base-Backbone interact. energy: 0.947
local terms energy: -196.509592
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -48.443
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: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -532.899210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.899210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.899210 (E_RNA)
where:
Base-Base interactions energy: -332.814
where: short stacking energy: -157.843
Base-Backbone interact. energy: -1.073
local terms energy: -199.011658
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -44.306
flat angles C4'-P-C4' energy: -44.840
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -47.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -428.500217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.500217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.500217 (E_RNA)
where:
Base-Base interactions energy: -276.863
where: short stacking energy: -115.220
Base-Backbone interact. energy: -0.714
local terms energy: -150.923384
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -404.171277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.171277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.171277 (E_RNA)
where:
Base-Base interactions energy: -238.250
where: short stacking energy: -123.798
Base-Backbone interact. energy: 1.031
local terms energy: -166.952282
where:
bonds (distance) C4'-P energy: -32.835
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -31.676
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: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -328.814050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.814050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.814050 (E_RNA)
where:
Base-Base interactions energy: -177.830
where: short stacking energy: -83.271
Base-Backbone interact. energy: 1.991
local terms energy: -152.975027
where:
bonds (distance) C4'-P energy: -40.012
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -43.385
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -200.775747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.775747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.775747 (E_RNA)
where:
Base-Base interactions energy: -90.948
where: short stacking energy: -65.482
Base-Backbone interact. energy: 2.662
local terms energy: -112.490202
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -697.197395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.197395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.197395 (E_RNA)
where:
Base-Base interactions energy: -466.444
where: short stacking energy: -219.255
Base-Backbone interact. energy: -0.366
local terms energy: -230.386784
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -699.444197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.444197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.444197 (E_RNA)
where:
Base-Base interactions energy: -466.015
where: short stacking energy: -220.028
Base-Backbone interact. energy: -0.894
local terms energy: -232.535146
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -36.832
flat angles C4'-P-C4' energy: -47.602
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -715.172778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.172778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.172778 (E_RNA)
where:
Base-Base interactions energy: -484.884
where: short stacking energy: -207.812
Base-Backbone interact. energy: 0.151
local terms energy: -230.439479
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -67.595
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: 344
Temperature: 1.050000
Total energy: -599.397012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.397012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.397012 (E_RNA)
where:
Base-Base interactions energy: -393.120
where: short stacking energy: -175.863
Base-Backbone interact. energy: -1.223
local terms energy: -205.053086
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -44.076
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: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -581.668778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.668778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.668778 (E_RNA)
where:
Base-Base interactions energy: -394.566
where: short stacking energy: -175.783
Base-Backbone interact. energy: -0.402
local terms energy: -186.701087
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -561.222613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.222613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.222613 (E_RNA)
where:
Base-Base interactions energy: -367.270
where: short stacking energy: -165.718
Base-Backbone interact. energy: -0.493
local terms energy: -193.458663
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -51.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -367.213317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.213317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.213317 (E_RNA)
where:
Base-Base interactions energy: -207.935
where: short stacking energy: -107.195
Base-Backbone interact. energy: 1.198
local terms energy: -160.476052
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -399.962063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.962063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.962063 (E_RNA)
where:
Base-Base interactions energy: -246.928
where: short stacking energy: -115.550
Base-Backbone interact. energy: -0.283
local terms energy: -152.750747
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -345.203863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.203863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.203863 (E_RNA)
where:
Base-Base interactions energy: -204.668
where: short stacking energy: -98.089
Base-Backbone interact. energy: -0.620
local terms energy: -139.915278
where:
bonds (distance) C4'-P energy: -38.594
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -259.833896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.833896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.833896 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -70.324
Base-Backbone interact. energy: 1.633
local terms energy: -119.467098
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -698.921890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.921890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.921890 (E_RNA)
where:
Base-Base interactions energy: -463.946
where: short stacking energy: -212.877
Base-Backbone interact. energy: -0.563
local terms energy: -234.412615
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -42.819
flat angles C4'-P-C4' energy: -48.634
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -67.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -724.549693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.549693 (E_RNA)
where:
Base-Base interactions energy: -497.470
where: short stacking energy: -223.168
Base-Backbone interact. energy: -0.447
local terms energy: -226.632351
where:
bonds (distance) C4'-P energy: -39.129
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -53.161
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -63.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -676.573122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.573122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.573122 (E_RNA)
where:
Base-Base interactions energy: -447.815
where: short stacking energy: -203.191
Base-Backbone interact. energy: 1.092
local terms energy: -229.850360
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -39.444
flat angles C4'-P-C4' energy: -53.853
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -67.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -599.338998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.338998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.338998 (E_RNA)
where:
Base-Base interactions energy: -395.295
where: short stacking energy: -188.198
Base-Backbone interact. energy: -0.549
local terms energy: -203.495435
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: -50.131
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -582.456713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.456713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.456713 (E_RNA)
where:
Base-Base interactions energy: -391.153
where: short stacking energy: -168.079
Base-Backbone interact. energy: -0.162
local terms energy: -191.141742
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -45.210
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -517.649170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.649170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.649170 (E_RNA)
where:
Base-Base interactions energy: -321.555
where: short stacking energy: -133.377
Base-Backbone interact. energy: -0.279
local terms energy: -195.815670
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -396.562226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.562226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.562226 (E_RNA)
where:
Base-Base interactions energy: -240.946
where: short stacking energy: -109.347
Base-Backbone interact. energy: -1.311
local terms energy: -154.305556
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -40.104
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -18.995
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: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -411.976337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.976337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.976337 (E_RNA)
where:
Base-Base interactions energy: -267.272
where: short stacking energy: -117.491
Base-Backbone interact. energy: -1.001
local terms energy: -143.703302
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -327.763085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.763085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.763085 (E_RNA)
where:
Base-Base interactions energy: -189.408
where: short stacking energy: -104.952
Base-Backbone interact. energy: 1.701
local terms energy: -140.056686
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -37.501
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -21.440
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: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -249.528801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.528801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.528801 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -73.181
Base-Backbone interact. energy: -0.635
local terms energy: -124.225351
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -737.278917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.278917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.278917 (E_RNA)
where:
Base-Base interactions energy: -509.827
where: short stacking energy: -225.322
Base-Backbone interact. energy: -0.192
local terms energy: -227.260004
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -41.543
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -70.712
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: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -684.706492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.706492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.706492 (E_RNA)
where:
Base-Base interactions energy: -452.245
where: short stacking energy: -210.697
Base-Backbone interact. energy: -0.567
local terms energy: -231.895378
where:
bonds (distance) C4'-P energy: -42.543
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -47.705
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -72.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -695.058244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.058244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.058244 (E_RNA)
where:
Base-Base interactions energy: -469.945
where: short stacking energy: -215.503
Base-Backbone interact. energy: -0.169
local terms energy: -224.944356
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -42.425
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -70.640
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -597.592823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.592823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.592823 (E_RNA)
where:
Base-Base interactions energy: -390.269
where: short stacking energy: -166.732
Base-Backbone interact. energy: 1.598
local terms energy: -208.921892
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -40.381
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -47.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -603.436894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.436894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.436894 (E_RNA)
where:
Base-Base interactions energy: -395.013
where: short stacking energy: -181.403
Base-Backbone interact. energy: -0.411
local terms energy: -208.013125
where:
bonds (distance) C4'-P energy: -47.094
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -47.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -533.469220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.469220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.469220 (E_RNA)
where:
Base-Base interactions energy: -342.105
where: short stacking energy: -163.121
Base-Backbone interact. energy: -0.779
local terms energy: -190.585452
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -398.673527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.673527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.673527 (E_RNA)
where:
Base-Base interactions energy: -241.112
where: short stacking energy: -102.028
Base-Backbone interact. energy: -0.413
local terms energy: -157.147798
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -39.757
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -13.655
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -455.931107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.931107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.931107 (E_RNA)
where:
Base-Base interactions energy: -296.945
where: short stacking energy: -124.865
Base-Backbone interact. energy: -0.825
local terms energy: -158.161168
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -41.358
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -28.468
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: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -339.319019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.319019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.319019 (E_RNA)
where:
Base-Base interactions energy: -178.959
where: short stacking energy: -82.183
Base-Backbone interact. energy: -0.837
local terms energy: -159.522856
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -45.172
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -194.802441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802441 (E_RNA)
where:
Base-Base interactions energy: -77.429
where: short stacking energy: -69.629
Base-Backbone interact. energy: 0.399
local terms energy: -117.772501
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: 2.384
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: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -740.975714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.975714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.975714 (E_RNA)
where:
Base-Base interactions energy: -498.009
where: short stacking energy: -222.169
Base-Backbone interact. energy: -0.239
local terms energy: -242.727505
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -70.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -723.301387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.301387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.301387 (E_RNA)
where:
Base-Base interactions energy: -471.728
where: short stacking energy: -229.179
Base-Backbone interact. energy: -1.103
local terms energy: -250.470550
where:
bonds (distance) C4'-P energy: -48.009
bonds (distance) P-C4' energy: -45.827
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -75.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -676.096231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.096231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.096231 (E_RNA)
where:
Base-Base interactions energy: -455.115
where: short stacking energy: -209.152
Base-Backbone interact. energy: -0.415
local terms energy: -220.566628
where:
bonds (distance) C4'-P energy: -43.053
bonds (distance) P-C4' energy: -43.746
flat angles C4'-P-C4' energy: -42.669
flat angles P-C4'-P energy: -21.121
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: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -592.091041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.091041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.091041 (E_RNA)
where:
Base-Base interactions energy: -391.005
where: short stacking energy: -179.499
Base-Backbone interact. energy: -0.363
local terms energy: -200.722367
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -39.522
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -46.848
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -583.147568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.147568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.147568 (E_RNA)
where:
Base-Base interactions energy: -376.496
where: short stacking energy: -184.715
Base-Backbone interact. energy: -1.294
local terms energy: -205.357370
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -43.082
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -56.304
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: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -506.080015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.080015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.080015 (E_RNA)
where:
Base-Base interactions energy: -323.175
where: short stacking energy: -135.496
Base-Backbone interact. energy: -0.728
local terms energy: -182.177282
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -43.193
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -29.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -374.837725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.837725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.837725 (E_RNA)
where:
Base-Base interactions energy: -224.172
where: short stacking energy: -97.704
Base-Backbone interact. energy: -1.424
local terms energy: -149.241280
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -39.926
flat angles C4'-P-C4' energy: -40.004
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -427.794430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.794430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.794430 (E_RNA)
where:
Base-Base interactions energy: -268.202
where: short stacking energy: -126.173
Base-Backbone interact. energy: -0.342
local terms energy: -159.250199
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -28.845
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: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -345.185466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.185466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.185466 (E_RNA)
where:
Base-Base interactions energy: -188.480
where: short stacking energy: -88.838
Base-Backbone interact. energy: -1.540
local terms energy: -155.165437
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -40.054
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -211.364828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364828 (E_RNA)
where:
Base-Base interactions energy: -89.748
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.024
local terms energy: -121.592372
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -40.145
flat angles C4'-P-C4' energy: -34.204
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -753.038869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.038869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.038869 (E_RNA)
where:
Base-Base interactions energy: -507.257
where: short stacking energy: -230.286
Base-Backbone interact. energy: -0.435
local terms energy: -245.346997
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -50.582
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -77.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -692.865091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.865091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.865091 (E_RNA)
where:
Base-Base interactions energy: -459.597
where: short stacking energy: -213.448
Base-Backbone interact. energy: -0.585
local terms energy: -232.683580
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -49.996
flat angles P-C4'-P energy: -32.879
tors. eta vs tors. theta energy: -72.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -678.776199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.776199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.776199 (E_RNA)
where:
Base-Base interactions energy: -453.521
where: short stacking energy: -206.431
Base-Backbone interact. energy: -0.101
local terms energy: -225.154012
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -39.330
flat angles C4'-P-C4' energy: -46.966
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -68.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -601.218007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.218007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.218007 (E_RNA)
where:
Base-Base interactions energy: -392.022
where: short stacking energy: -173.332
Base-Backbone interact. energy: -0.098
local terms energy: -209.098303
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -44.207
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -30.373
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -526.780823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.780823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.780823 (E_RNA)
where:
Base-Base interactions energy: -346.330
where: short stacking energy: -155.479
Base-Backbone interact. energy: -0.288
local terms energy: -180.162502
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -38.246
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: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -557.811805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.811805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.811805 (E_RNA)
where:
Base-Base interactions energy: -368.468
where: short stacking energy: -165.303
Base-Backbone interact. energy: 0.574
local terms energy: -189.917474
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -46.545
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: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -412.155839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.155839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.155839 (E_RNA)
where:
Base-Base interactions energy: -254.662
where: short stacking energy: -126.315
Base-Backbone interact. energy: -0.644
local terms energy: -156.850051
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -46.065
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -379.015863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.015863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.015863 (E_RNA)
where:
Base-Base interactions energy: -232.347
where: short stacking energy: -116.987
Base-Backbone interact. energy: 1.203
local terms energy: -147.872204
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -19.759
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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -214.593893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.593893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593893 (E_RNA)
where:
Base-Base interactions energy: -88.554
where: short stacking energy: -77.347
Base-Backbone interact. energy: -0.456
local terms energy: -125.584045
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -334.749572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.749572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.749572 (E_RNA)
where:
Base-Base interactions energy: -202.916
where: short stacking energy: -106.764
Base-Backbone interact. energy: 0.175
local terms energy: -132.009441
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -736.008774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.008774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.008774 (E_RNA)
where:
Base-Base interactions energy: -505.367
where: short stacking energy: -222.348
Base-Backbone interact. energy: -1.664
local terms energy: -228.977906
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -42.807
flat angles C4'-P-C4' energy: -46.899
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -70.142
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -706.622828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.622828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.622828 (E_RNA)
where:
Base-Base interactions energy: -474.553
where: short stacking energy: -228.414
Base-Backbone interact. energy: -0.245
local terms energy: -231.824391
where:
bonds (distance) C4'-P energy: -42.669
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -40.528
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: -71.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -689.048396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.048396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.048396 (E_RNA)
where:
Base-Base interactions energy: -457.049
where: short stacking energy: -211.279
Base-Backbone interact. energy: 0.135
local terms energy: -232.134007
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -44.651
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -70.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -586.115986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.115986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.115986 (E_RNA)
where:
Base-Base interactions energy: -390.119
where: short stacking energy: -178.782
Base-Backbone interact. energy: -0.701
local terms energy: -195.296012
where:
bonds (distance) C4'-P energy: -38.935
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -41.070
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -528.059954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.059954 (E_RNA)
where:
Base-Base interactions energy: -348.025
where: short stacking energy: -151.465
Base-Backbone interact. energy: -0.650
local terms energy: -179.384988
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -33.838
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -528.492997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.492997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.492997 (E_RNA)
where:
Base-Base interactions energy: -348.044
where: short stacking energy: -183.015
Base-Backbone interact. energy: -1.055
local terms energy: -179.394648
where:
bonds (distance) C4'-P energy: -36.751
bonds (distance) P-C4' energy: -33.908
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -47.839
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: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -449.875397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.875397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.875397 (E_RNA)
where:
Base-Base interactions energy: -281.212
where: short stacking energy: -117.840
Base-Backbone interact. energy: -0.569
local terms energy: -168.094190
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -373.345895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.345895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.345895 (E_RNA)
where:
Base-Base interactions energy: -225.889
where: short stacking energy: -92.903
Base-Backbone interact. energy: -0.492
local terms energy: -146.964822
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -45.076
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -217.747253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.747253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.747253 (E_RNA)
where:
Base-Base interactions energy: -71.058
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.499
local terms energy: -146.190065
where:
bonds (distance) C4'-P energy: -41.203
bonds (distance) P-C4' energy: -38.416
flat angles C4'-P-C4' energy: -36.547
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -321.250159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.250159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.250159 (E_RNA)
where:
Base-Base interactions energy: -196.882
where: short stacking energy: -116.691
Base-Backbone interact. energy: 1.274
local terms energy: -125.642420
where:
bonds (distance) C4'-P energy: -39.493
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -728.359910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.359910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.359910 (E_RNA)
where:
Base-Base interactions energy: -486.191
where: short stacking energy: -219.953
Base-Backbone interact. energy: 0.095
local terms energy: -242.263835
where:
bonds (distance) C4'-P energy: -49.091
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -50.290
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -69.620
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -680.895420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.895420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.895420 (E_RNA)
where:
Base-Base interactions energy: -450.473
where: short stacking energy: -200.869
Base-Backbone interact. energy: -0.082
local terms energy: -230.340690
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -46.446
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -69.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -675.931427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.931427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.931427 (E_RNA)
where:
Base-Base interactions energy: -459.012
where: short stacking energy: -203.040
Base-Backbone interact. energy: -0.418
local terms energy: -216.500661
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -45.433
flat angles C4'-P-C4' energy: -47.851
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -62.418
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -585.090634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.090634 (E_RNA)
where:
Base-Base interactions energy: -383.790
where: short stacking energy: -178.827
Base-Backbone interact. energy: -1.720
local terms energy: -199.580440
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -49.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -534.500571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.500571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.500571 (E_RNA)
where:
Base-Base interactions energy: -339.757
where: short stacking energy: -161.883
Base-Backbone interact. energy: -0.044
local terms energy: -194.699576
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -45.489
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -53.853
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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -504.579144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.579144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.579144 (E_RNA)
where:
Base-Base interactions energy: -345.037
where: short stacking energy: -152.631
Base-Backbone interact. energy: 3.473
local terms energy: -163.015415
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -37.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -471.222245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.222245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.222245 (E_RNA)
where:
Base-Base interactions energy: -295.209
where: short stacking energy: -134.659
Base-Backbone interact. energy: -1.001
local terms energy: -175.012659
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -32.976
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: 350
Temperature: 1.250000
Total energy: -393.204480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.204480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.204480 (E_RNA)
where:
Base-Base interactions energy: -234.369
where: short stacking energy: -89.096
Base-Backbone interact. energy: -0.014
local terms energy: -158.821407
where:
bonds (distance) C4'-P energy: -41.941
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -324.222689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.222689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.222689 (E_RNA)
where:
Base-Base interactions energy: -186.603
where: short stacking energy: -83.202
Base-Backbone interact. energy: -0.856
local terms energy: -136.763482
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -23.055
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: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -184.626232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626232 (E_RNA)
where:
Base-Base interactions energy: -72.735
where: short stacking energy: -57.027
Base-Backbone interact. energy: 0.906
local terms energy: -112.797582
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: 9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -740.754786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.754786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.754786 (E_RNA)
where:
Base-Base interactions energy: -507.254
where: short stacking energy: -228.970
Base-Backbone interact. energy: -0.012
local terms energy: -233.489213
where:
bonds (distance) C4'-P energy: -44.153
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -42.652
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -73.146
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -693.660076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.660076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.660076 (E_RNA)
where:
Base-Base interactions energy: -466.784
where: short stacking energy: -214.995
Base-Backbone interact. energy: -0.589
local terms energy: -226.286374
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -45.869
flat angles P-C4'-P energy: -30.835
tors. eta vs tors. theta energy: -73.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -675.195760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.195760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.195760 (E_RNA)
where:
Base-Base interactions energy: -446.993
where: short stacking energy: -219.517
Base-Backbone interact. energy: -0.740
local terms energy: -227.463284
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -623.463374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.463374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.463374 (E_RNA)
where:
Base-Base interactions energy: -407.185
where: short stacking energy: -196.923
Base-Backbone interact. energy: -0.202
local terms energy: -216.076678
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -43.008
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -55.863
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: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -548.262655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.262655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.262655 (E_RNA)
where:
Base-Base interactions energy: -356.970
where: short stacking energy: -163.041
Base-Backbone interact. energy: -2.581
local terms energy: -188.711524
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -38.462
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -53.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -496.225023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.225023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.225023 (E_RNA)
where:
Base-Base interactions energy: -314.364
where: short stacking energy: -142.936
Base-Backbone interact. energy: -0.938
local terms energy: -180.923192
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -466.819783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.819783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.819783 (E_RNA)
where:
Base-Base interactions energy: -279.786
where: short stacking energy: -136.170
Base-Backbone interact. energy: -0.151
local terms energy: -186.882769
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -38.472
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: 351
Temperature: 1.250000
Total energy: -399.007616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.007616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.007616 (E_RNA)
where:
Base-Base interactions energy: -230.306
where: short stacking energy: -119.214
Base-Backbone interact. energy: -0.492
local terms energy: -168.209674
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -354.493845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.493845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.493845 (E_RNA)
where:
Base-Base interactions energy: -206.085
where: short stacking energy: -105.174
Base-Backbone interact. energy: -1.690
local terms energy: -146.719074
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -30.516
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -189.698393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.698393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.698393 (E_RNA)
where:
Base-Base interactions energy: -71.946
where: short stacking energy: -55.333
Base-Backbone interact. energy: 1.756
local terms energy: -119.508385
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -746.805409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.805409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.805409 (E_RNA)
where:
Base-Base interactions energy: -499.501
where: short stacking energy: -228.511
Base-Backbone interact. energy: -0.849
local terms energy: -246.455115
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -67.763
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: 352
Temperature: 0.950000
Total energy: -710.855935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.855935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.855935 (E_RNA)
where:
Base-Base interactions energy: -480.048
where: short stacking energy: -221.458
Base-Backbone interact. energy: 0.314
local terms energy: -231.121512
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -47.036
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: -72.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -617.196564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.196564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.196564 (E_RNA)
where:
Base-Base interactions energy: -403.610
where: short stacking energy: -181.060
Base-Backbone interact. energy: -0.810
local terms energy: -212.777433
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -48.626
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -51.413
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -658.466925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.466925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.466925 (E_RNA)
where:
Base-Base interactions energy: -427.849
where: short stacking energy: -198.376
Base-Backbone interact. energy: -0.277
local terms energy: -230.340790
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -33.717
tors. eta vs tors. theta energy: -65.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -559.709122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.709122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.709122 (E_RNA)
where:
Base-Base interactions energy: -355.896
where: short stacking energy: -170.723
Base-Backbone interact. energy: -2.533
local terms energy: -201.280365
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -53.204
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: 352
Temperature: 1.150000
Total energy: -515.612495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.612495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.612495 (E_RNA)
where:
Base-Base interactions energy: -325.120
where: short stacking energy: -144.053
Base-Backbone interact. energy: 0.697
local terms energy: -191.189140
where:
bonds (distance) C4'-P energy: -39.226
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -442.295333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.295333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.295333 (E_RNA)
where:
Base-Base interactions energy: -282.400
where: short stacking energy: -125.513
Base-Backbone interact. energy: 0.758
local terms energy: -160.653257
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -428.474728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.474728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.474728 (E_RNA)
where:
Base-Base interactions energy: -273.965
where: short stacking energy: -128.218
Base-Backbone interact. energy: 1.013
local terms energy: -155.522968
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -32.663
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -377.039727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.039727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.039727 (E_RNA)
where:
Base-Base interactions energy: -227.830
where: short stacking energy: -106.907
Base-Backbone interact. energy: -1.236
local terms energy: -147.973399
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -34.538
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -182.922649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.922649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.922649 (E_RNA)
where:
Base-Base interactions energy: -66.490
where: short stacking energy: -47.166
Base-Backbone interact. energy: -1.032
local terms energy: -115.400641
where:
bonds (distance) C4'-P energy: -45.171
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: 0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -723.651820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.651820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.651820 (E_RNA)
where:
Base-Base interactions energy: -489.882
where: short stacking energy: -209.693
Base-Backbone interact. energy: -1.387
local terms energy: -232.382527
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -32.816
tors. eta vs tors. theta energy: -72.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -693.144525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.144525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.144525 (E_RNA)
where:
Base-Base interactions energy: -455.929
where: short stacking energy: -208.114
Base-Backbone interact. energy: -0.613
local terms energy: -236.602927
where:
bonds (distance) C4'-P energy: -44.168
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -33.474
tors. eta vs tors. theta energy: -66.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -623.336667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.336667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.336667 (E_RNA)
where:
Base-Base interactions energy: -395.243
where: short stacking energy: -183.334
Base-Backbone interact. energy: -0.932
local terms energy: -227.161856
where:
bonds (distance) C4'-P energy: -42.788
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -47.981
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -58.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -642.135303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.135303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.135303 (E_RNA)
where:
Base-Base interactions energy: -423.736
where: short stacking energy: -184.420
Base-Backbone interact. energy: -0.710
local terms energy: -217.689028
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -40.767
flat angles C4'-P-C4' energy: -45.585
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -65.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -553.047598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.047598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.047598 (E_RNA)
where:
Base-Base interactions energy: -356.904
where: short stacking energy: -179.395
Base-Backbone interact. energy: 1.819
local terms energy: -197.962416
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: -49.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -534.465793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.465793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.465793 (E_RNA)
where:
Base-Base interactions energy: -355.338
where: short stacking energy: -147.622
Base-Backbone interact. energy: -0.267
local terms energy: -178.860957
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: -38.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -428.156985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.156985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.156985 (E_RNA)
where:
Base-Base interactions energy: -256.847
where: short stacking energy: -104.180
Base-Backbone interact. energy: -2.424
local terms energy: -168.885995
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -36.459
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -376.206738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.206738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.206738 (E_RNA)
where:
Base-Base interactions energy: -210.912
where: short stacking energy: -113.460
Base-Backbone interact. energy: 3.178
local terms energy: -168.472866
where:
bonds (distance) C4'-P energy: -40.023
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -406.992735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.992735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.992735 (E_RNA)
where:
Base-Base interactions energy: -265.950
where: short stacking energy: -122.398
Base-Backbone interact. energy: 0.344
local terms energy: -141.386888
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -21.573
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -192.590261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.590261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.590261 (E_RNA)
where:
Base-Base interactions energy: -83.323
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.188
local terms energy: -109.079366
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -737.140200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.140200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.140200 (E_RNA)
where:
Base-Base interactions energy: -505.364
where: short stacking energy: -230.566
Base-Backbone interact. energy: -0.178
local terms energy: -231.598319
where:
bonds (distance) C4'-P energy: -40.649
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -33.312
tors. eta vs tors. theta energy: -72.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -712.337061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.337061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.337061 (E_RNA)
where:
Base-Base interactions energy: -481.874
where: short stacking energy: -222.690
Base-Backbone interact. energy: -1.487
local terms energy: -228.975870
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -49.063
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -70.420
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: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -622.935786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.935786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.935786 (E_RNA)
where:
Base-Base interactions energy: -421.314
where: short stacking energy: -189.678
Base-Backbone interact. energy: -0.010
local terms energy: -201.611843
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -45.079
flat angles P-C4'-P energy: -27.399
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: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -653.767023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.767023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.767023 (E_RNA)
where:
Base-Base interactions energy: -428.937
where: short stacking energy: -211.235
Base-Backbone interact. energy: 0.709
local terms energy: -225.538973
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -41.177
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -67.938
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: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -547.971758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.971758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.971758 (E_RNA)
where:
Base-Base interactions energy: -360.078
where: short stacking energy: -176.509
Base-Backbone interact. energy: -0.348
local terms energy: -187.546465
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -37.404
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -506.429590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.429590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.429590 (E_RNA)
where:
Base-Base interactions energy: -331.070
where: short stacking energy: -158.209
Base-Backbone interact. energy: 0.209
local terms energy: -175.569317
where:
bonds (distance) C4'-P energy: -35.536
bonds (distance) P-C4' energy: -39.968
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -33.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -396.481148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.481148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.481148 (E_RNA)
where:
Base-Base interactions energy: -237.793
where: short stacking energy: -114.449
Base-Backbone interact. energy: -0.459
local terms energy: -158.229222
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -394.094887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.094887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.094887 (E_RNA)
where:
Base-Base interactions energy: -232.177
where: short stacking energy: -113.216
Base-Backbone interact. energy: -0.457
local terms energy: -161.460420
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -20.241
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: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -385.563319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.563319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.563319 (E_RNA)
where:
Base-Base interactions energy: -242.162
where: short stacking energy: -123.129
Base-Backbone interact. energy: 1.436
local terms energy: -144.836726
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -179.894684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.894684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.894684 (E_RNA)
where:
Base-Base interactions energy: -58.749
where: short stacking energy: -36.430
Base-Backbone interact. energy: 0.351
local terms energy: -121.496723
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: 9.654
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: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -736.410224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.410224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.410224 (E_RNA)
where:
Base-Base interactions energy: -501.494
where: short stacking energy: -228.763
Base-Backbone interact. energy: -0.075
local terms energy: -234.840787
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -47.199
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -71.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -708.725214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.725214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.725214 (E_RNA)
where:
Base-Base interactions energy: -490.652
where: short stacking energy: -218.916
Base-Backbone interact. energy: -0.752
local terms energy: -217.321262
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -38.958
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -65.826
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: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -634.408563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.408563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.408563 (E_RNA)
where:
Base-Base interactions energy: -421.045
where: short stacking energy: -198.434
Base-Backbone interact. energy: -1.578
local terms energy: -211.786125
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -44.233
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -58.798
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -682.322726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.322726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.322726 (E_RNA)
where:
Base-Base interactions energy: -448.701
where: short stacking energy: -203.303
Base-Backbone interact. energy: -0.404
local terms energy: -233.217819
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -40.206
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -66.462
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -535.421644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.421644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.421644 (E_RNA)
where:
Base-Base interactions energy: -338.726
where: short stacking energy: -145.714
Base-Backbone interact. energy: -1.371
local terms energy: -195.325113
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -40.362
flat angles C4'-P-C4' energy: -41.159
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -39.431
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: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -496.760779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.760779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.760779 (E_RNA)
where:
Base-Base interactions energy: -333.276
where: short stacking energy: -138.930
Base-Backbone interact. energy: -0.346
local terms energy: -163.139203
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -31.818
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -438.158830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.158830 (E_RNA)
where:
Base-Base interactions energy: -266.468
where: short stacking energy: -132.163
Base-Backbone interact. energy: -0.222
local terms energy: -171.468503
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -28.937
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: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -351.341579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.341579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.341579 (E_RNA)
where:
Base-Base interactions energy: -211.099
where: short stacking energy: -98.891
Base-Backbone interact. energy: -0.283
local terms energy: -139.958754
where:
bonds (distance) C4'-P energy: -36.990
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -10.700
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -404.390513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.390513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.390513 (E_RNA)
where:
Base-Base interactions energy: -224.103
where: short stacking energy: -112.085
Base-Backbone interact. energy: -0.427
local terms energy: -179.860270
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -43.816
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -186.615201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.615201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.615201 (E_RNA)
where:
Base-Base interactions energy: -69.167
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.589
local terms energy: -116.859677
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: 4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -735.822332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.822332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.822332 (E_RNA)
where:
Base-Base interactions energy: -493.999
where: short stacking energy: -228.102
Base-Backbone interact. energy: -0.750
local terms energy: -241.072938
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -70.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -716.224878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.224878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.224878 (E_RNA)
where:
Base-Base interactions energy: -481.548
where: short stacking energy: -220.230
Base-Backbone interact. energy: -2.352
local terms energy: -232.324408
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -48.039
flat angles P-C4'-P energy: -34.302
tors. eta vs tors. theta energy: -68.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -696.675140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.675140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.675140 (E_RNA)
where:
Base-Base interactions energy: -448.882
where: short stacking energy: -208.084
Base-Backbone interact. energy: -0.557
local terms energy: -247.236385
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -50.518
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -76.500
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -611.668873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.668873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.668873 (E_RNA)
where:
Base-Base interactions energy: -407.443
where: short stacking energy: -181.453
Base-Backbone interact. energy: -0.789
local terms energy: -203.436910
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -544.264835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.264835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.264835 (E_RNA)
where:
Base-Base interactions energy: -343.293
where: short stacking energy: -169.375
Base-Backbone interact. energy: -0.449
local terms energy: -200.522806
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -45.691
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -44.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -516.293066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.293066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.293066 (E_RNA)
where:
Base-Base interactions energy: -317.424
where: short stacking energy: -148.993
Base-Backbone interact. energy: -0.297
local terms energy: -198.571845
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -47.009
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -438.164258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.164258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.164258 (E_RNA)
where:
Base-Base interactions energy: -265.435
where: short stacking energy: -120.174
Base-Backbone interact. energy: -0.991
local terms energy: -171.738572
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -391.193895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.193895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.193895 (E_RNA)
where:
Base-Base interactions energy: -240.465
where: short stacking energy: -111.121
Base-Backbone interact. energy: 1.008
local terms energy: -151.736384
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -372.847408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.847408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.847408 (E_RNA)
where:
Base-Base interactions energy: -224.841
where: short stacking energy: -96.026
Base-Backbone interact. energy: 3.538
local terms energy: -151.543802
where:
bonds (distance) C4'-P energy: -33.367
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -251.728576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.728576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.728576 (E_RNA)
where:
Base-Base interactions energy: -126.282
where: short stacking energy: -81.206
Base-Backbone interact. energy: 1.049
local terms energy: -126.495568
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -42.188
flat angles C4'-P-C4' energy: -33.287
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -3.459
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: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -735.679418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.679418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.679418 (E_RNA)
where:
Base-Base interactions energy: -489.367
where: short stacking energy: -218.906
Base-Backbone interact. energy: -1.176
local terms energy: -245.136364
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -43.691
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -703.419542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.419542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.419542 (E_RNA)
where:
Base-Base interactions energy: -467.376
where: short stacking energy: -216.917
Base-Backbone interact. energy: -0.106
local terms energy: -235.937787
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -72.582
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: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -694.290053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.290053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.290053 (E_RNA)
where:
Base-Base interactions energy: -463.264
where: short stacking energy: -213.243
Base-Backbone interact. energy: -0.276
local terms energy: -230.749896
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -70.108
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: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -587.150660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.150660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.150660 (E_RNA)
where:
Base-Base interactions energy: -380.449
where: short stacking energy: -190.461
Base-Backbone interact. energy: -1.251
local terms energy: -205.451010
where:
bonds (distance) C4'-P energy: -37.896
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -41.079
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -56.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -573.753179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.753179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.753179 (E_RNA)
where:
Base-Base interactions energy: -391.819
where: short stacking energy: -172.770
Base-Backbone interact. energy: -1.100
local terms energy: -180.834192
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -42.586
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -47.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -449.911298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.911298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.911298 (E_RNA)
where:
Base-Base interactions energy: -262.117
where: short stacking energy: -134.030
Base-Backbone interact. energy: -0.063
local terms energy: -187.730534
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -29.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -463.773561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.773561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.773561 (E_RNA)
where:
Base-Base interactions energy: -307.020
where: short stacking energy: -135.646
Base-Backbone interact. energy: 0.271
local terms energy: -157.024717
where:
bonds (distance) C4'-P energy: -33.988
bonds (distance) P-C4' energy: -34.724
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -32.181
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -379.228537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.228537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.228537 (E_RNA)
where:
Base-Base interactions energy: -229.410
where: short stacking energy: -101.220
Base-Backbone interact. energy: 0.292
local terms energy: -150.110843
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -32.811
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -372.752339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.752339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.752339 (E_RNA)
where:
Base-Base interactions energy: -224.092
where: short stacking energy: -104.932
Base-Backbone interact. energy: 0.713
local terms energy: -149.374259
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -18.674
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: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -244.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.103608 (E_RNA)
where:
Base-Base interactions energy: -113.278
where: short stacking energy: -72.547
Base-Backbone interact. energy: 0.177
local terms energy: -131.002831
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -749.790778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.790778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.790778 (E_RNA)
where:
Base-Base interactions energy: -516.642
where: short stacking energy: -237.282
Base-Backbone interact. energy: -1.368
local terms energy: -231.780618
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -41.032
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -71.325
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: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -672.616132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.616132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.616132 (E_RNA)
where:
Base-Base interactions energy: -452.795
where: short stacking energy: -199.065
Base-Backbone interact. energy: -1.429
local terms energy: -218.392180
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -43.911
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -64.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -691.924906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.924906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.924906 (E_RNA)
where:
Base-Base interactions energy: -460.978
where: short stacking energy: -214.014
Base-Backbone interact. energy: 1.022
local terms energy: -231.968343
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -46.714
flat angles C4'-P-C4' energy: -43.842
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: -68.497
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -587.146035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.146035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.146035 (E_RNA)
where:
Base-Base interactions energy: -398.174
where: short stacking energy: -177.492
Base-Backbone interact. energy: 0.690
local terms energy: -189.662573
where:
bonds (distance) C4'-P energy: -33.935
bonds (distance) P-C4' energy: -41.840
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -52.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -578.688655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.688655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.688655 (E_RNA)
where:
Base-Base interactions energy: -384.952
where: short stacking energy: -169.701
Base-Backbone interact. energy: -2.131
local terms energy: -191.605739
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -45.747
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: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -438.173640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.173640 (E_RNA)
where:
Base-Base interactions energy: -259.474
where: short stacking energy: -136.478
Base-Backbone interact. energy: 0.292
local terms energy: -178.990861
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -40.229
flat angles P-C4'-P energy: -29.709
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: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -438.644319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.644319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.644319 (E_RNA)
where:
Base-Base interactions energy: -274.394
where: short stacking energy: -125.435
Base-Backbone interact. energy: -0.578
local terms energy: -163.671826
where:
bonds (distance) C4'-P energy: -45.209
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -40.711
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -374.541425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.541425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.541425 (E_RNA)
where:
Base-Base interactions energy: -235.434
where: short stacking energy: -116.401
Base-Backbone interact. energy: -0.880
local terms energy: -138.227090
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -338.558170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.558170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.558170 (E_RNA)
where:
Base-Base interactions energy: -203.690
where: short stacking energy: -101.253
Base-Backbone interact. energy: -0.741
local terms energy: -134.127471
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -184.563832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.563832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.563832 (E_RNA)
where:
Base-Base interactions energy: -69.301
where: short stacking energy: -56.799
Base-Backbone interact. energy: -1.136
local terms energy: -114.126317
where:
bonds (distance) C4'-P energy: -43.126
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: 5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -738.697735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.697735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.697735 (E_RNA)
where:
Base-Base interactions energy: -506.739
where: short stacking energy: -229.697
Base-Backbone interact. energy: -0.223
local terms energy: -231.736083
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -43.970
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -68.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -704.838731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.838731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.838731 (E_RNA)
where:
Base-Base interactions energy: -466.870
where: short stacking energy: -221.112
Base-Backbone interact. energy: -0.141
local terms energy: -237.827404
where:
bonds (distance) C4'-P energy: -41.221
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -47.500
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -68.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -659.559704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.559704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.559704 (E_RNA)
where:
Base-Base interactions energy: -437.121
where: short stacking energy: -212.118
Base-Backbone interact. energy: -0.184
local terms energy: -222.254406
where:
bonds (distance) C4'-P energy: -37.122
bonds (distance) P-C4' energy: -38.488
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -67.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -600.682891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.682891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.682891 (E_RNA)
where:
Base-Base interactions energy: -397.332
where: short stacking energy: -175.853
Base-Backbone interact. energy: -0.705
local terms energy: -202.645526
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -43.546
flat angles P-C4'-P energy: -28.348
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -582.183765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.183765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.183765 (E_RNA)
where:
Base-Base interactions energy: -381.505
where: short stacking energy: -184.518
Base-Backbone interact. energy: -1.962
local terms energy: -198.716533
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -48.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -463.952245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.952245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.952245 (E_RNA)
where:
Base-Base interactions energy: -292.153
where: short stacking energy: -140.036
Base-Backbone interact. energy: -1.001
local terms energy: -170.798658
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -37.198
flat angles P-C4'-P energy: -22.243
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: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -453.779527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.779527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.779527 (E_RNA)
where:
Base-Base interactions energy: -287.110
where: short stacking energy: -123.268
Base-Backbone interact. energy: 0.857
local terms energy: -167.526838
where:
bonds (distance) C4'-P energy: -32.962
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -33.483
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: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -380.665886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.665886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.665886 (E_RNA)
where:
Base-Base interactions energy: -226.927
where: short stacking energy: -104.977
Base-Backbone interact. energy: -0.397
local terms energy: -153.342004
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -29.288
tors. eta vs tors. theta energy: -18.412
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: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -344.880718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.880718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.880718 (E_RNA)
where:
Base-Base interactions energy: -200.631
where: short stacking energy: -98.507
Base-Backbone interact. energy: -1.045
local terms energy: -143.204497
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -175.960261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960261 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -39.569
Base-Backbone interact. energy: -0.134
local terms energy: -123.173997
where:
bonds (distance) C4'-P energy: -45.625
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: 7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -731.815153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.815153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.815153 (E_RNA)
where:
Base-Base interactions energy: -499.489
where: short stacking energy: -224.810
Base-Backbone interact. energy: -0.295
local terms energy: -232.031307
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -42.951
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -69.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -696.138977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.138977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.138977 (E_RNA)
where:
Base-Base interactions energy: -457.178
where: short stacking energy: -210.708
Base-Backbone interact. energy: -0.235
local terms energy: -238.726685
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -44.478
flat angles C4'-P-C4' energy: -49.032
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -75.881
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: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -681.340879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.340879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.340879 (E_RNA)
where:
Base-Base interactions energy: -452.928
where: short stacking energy: -213.678
Base-Backbone interact. energy: -0.146
local terms energy: -228.266590
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -66.493
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: 360
Temperature: 1.050000
Total energy: -594.973401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.973401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.973401 (E_RNA)
where:
Base-Base interactions energy: -400.023
where: short stacking energy: -175.398
Base-Backbone interact. energy: -0.360
local terms energy: -194.590544
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -40.407
flat angles C4'-P-C4' energy: -43.547
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -46.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -565.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.350942 (E_RNA)
where:
Base-Base interactions energy: -374.454
where: short stacking energy: -167.069
Base-Backbone interact. energy: -0.261
local terms energy: -190.635872
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -50.995
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: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -467.087044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.087044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.087044 (E_RNA)
where:
Base-Base interactions energy: -285.262
where: short stacking energy: -128.746
Base-Backbone interact. energy: -0.465
local terms energy: -181.360765
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -47.912
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -43.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -422.860245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.860245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.860245 (E_RNA)
where:
Base-Base interactions energy: -260.561
where: short stacking energy: -128.384
Base-Backbone interact. energy: -0.332
local terms energy: -161.967381
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -29.297
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: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -408.043954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.043954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.043954 (E_RNA)
where:
Base-Base interactions energy: -260.547
where: short stacking energy: -120.895
Base-Backbone interact. energy: -0.254
local terms energy: -147.243129
where:
bonds (distance) C4'-P energy: -37.427
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -28.319
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: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -247.727604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.727604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.727604 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -77.169
Base-Backbone interact. energy: 0.315
local terms energy: -125.505394
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -2.714
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -321.859743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.859743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.859743 (E_RNA)
where:
Base-Base interactions energy: -175.495
where: short stacking energy: -84.514
Base-Backbone interact. energy: -1.088
local terms energy: -145.276698
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -40.421
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -730.895758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.895758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.895758 (E_RNA)
where:
Base-Base interactions energy: -493.595
where: short stacking energy: -215.959
Base-Backbone interact. energy: -0.702
local terms energy: -236.598329
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -67.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -702.699696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.699696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.699696 (E_RNA)
where:
Base-Base interactions energy: -471.955
where: short stacking energy: -223.374
Base-Backbone interact. energy: -1.213
local terms energy: -229.531127
where:
bonds (distance) C4'-P energy: -42.363
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -70.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -689.138707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.138707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.138707 (E_RNA)
where:
Base-Base interactions energy: -463.092
where: short stacking energy: -206.919
Base-Backbone interact. energy: 0.050
local terms energy: -226.097413
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -40.621
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -70.327
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: 361
Temperature: 1.050000
Total energy: -575.640900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.640900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.640900 (E_RNA)
where:
Base-Base interactions energy: -379.272
where: short stacking energy: -169.833
Base-Backbone interact. energy: -0.594
local terms energy: -195.775130
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -47.893
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -50.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -575.931457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.931457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.931457 (E_RNA)
where:
Base-Base interactions energy: -373.358
where: short stacking energy: -177.551
Base-Backbone interact. energy: -0.421
local terms energy: -202.152050
where:
bonds (distance) C4'-P energy: -42.214
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -49.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -463.812221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.812221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.812221 (E_RNA)
where:
Base-Base interactions energy: -285.683
where: short stacking energy: -140.790
Base-Backbone interact. energy: -0.774
local terms energy: -177.354947
where:
bonds (distance) C4'-P energy: -37.622
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -34.337
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: 361
Temperature: 1.200000
Total energy: -419.549722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.549722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.549722 (E_RNA)
where:
Base-Base interactions energy: -248.732
where: short stacking energy: -123.894
Base-Backbone interact. energy: -0.570
local terms energy: -170.248198
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -400.334301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.334301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.334301 (E_RNA)
where:
Base-Base interactions energy: -231.697
where: short stacking energy: -117.905
Base-Backbone interact. energy: -0.495
local terms energy: -168.142566
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -42.406
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -273.011784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.011784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.011784 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.306
local terms energy: -147.085488
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -331.294523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.294523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.294523 (E_RNA)
where:
Base-Base interactions energy: -189.871
where: short stacking energy: -99.554
Base-Backbone interact. energy: 0.538
local terms energy: -141.960629
where:
bonds (distance) C4'-P energy: -34.610
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -736.861074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.861074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.861074 (E_RNA)
where:
Base-Base interactions energy: -495.560
where: short stacking energy: -225.508
Base-Backbone interact. energy: -1.001
local terms energy: -240.299931
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -707.693382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.693382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.693382 (E_RNA)
where:
Base-Base interactions energy: -464.799
where: short stacking energy: -213.689
Base-Backbone interact. energy: -0.612
local terms energy: -242.282375
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -49.704
flat angles P-C4'-P energy: -36.859
tors. eta vs tors. theta energy: -72.606
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: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -683.887742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.887742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.887742 (E_RNA)
where:
Base-Base interactions energy: -452.124
where: short stacking energy: -205.988
Base-Backbone interact. energy: -0.687
local terms energy: -231.076429
where:
bonds (distance) C4'-P energy: -40.920
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -50.185
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: -64.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -568.549369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.549369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.549369 (E_RNA)
where:
Base-Base interactions energy: -375.033
where: short stacking energy: -172.153
Base-Backbone interact. energy: -0.193
local terms energy: -193.323507
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -581.187801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.187801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.187801 (E_RNA)
where:
Base-Base interactions energy: -377.103
where: short stacking energy: -168.231
Base-Backbone interact. energy: -2.770
local terms energy: -201.315491
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -43.692
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -432.598492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.598492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.598492 (E_RNA)
where:
Base-Base interactions energy: -269.355
where: short stacking energy: -147.734
Base-Backbone interact. energy: -0.268
local terms energy: -162.975914
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -411.461648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.461648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.461648 (E_RNA)
where:
Base-Base interactions energy: -245.526
where: short stacking energy: -121.713
Base-Backbone interact. energy: -0.899
local terms energy: -165.035898
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -409.716226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.716226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.716226 (E_RNA)
where:
Base-Base interactions energy: -259.925
where: short stacking energy: -114.144
Base-Backbone interact. energy: -1.129
local terms energy: -148.662886
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -42.758
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -358.008168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.008168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.008168 (E_RNA)
where:
Base-Base interactions energy: -224.927
where: short stacking energy: -99.271
Base-Backbone interact. energy: -1.314
local terms energy: -131.767115
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -237.262485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.262485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.262485 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -75.619
Base-Backbone interact. energy: 1.817
local terms energy: -124.369871
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -27.375
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -728.715462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.715462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.715462 (E_RNA)
where:
Base-Base interactions energy: -502.824
where: short stacking energy: -215.021
Base-Backbone interact. energy: -0.226
local terms energy: -225.665603
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -30.091
tors. eta vs tors. theta energy: -68.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -705.268898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.268898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.268898 (E_RNA)
where:
Base-Base interactions energy: -473.580
where: short stacking energy: -217.325
Base-Backbone interact. energy: -0.694
local terms energy: -230.994328
where:
bonds (distance) C4'-P energy: -42.043
bonds (distance) P-C4' energy: -45.468
flat angles C4'-P-C4' energy: -45.270
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -69.500
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: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -682.020144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.020144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.020144 (E_RNA)
where:
Base-Base interactions energy: -445.840
where: short stacking energy: -210.304
Base-Backbone interact. energy: -1.026
local terms energy: -235.154275
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -47.436
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -63.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -625.372624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.372624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.372624 (E_RNA)
where:
Base-Base interactions energy: -409.492
where: short stacking energy: -195.765
Base-Backbone interact. energy: -0.996
local terms energy: -214.884288
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -59.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -566.242807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.242807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.242807 (E_RNA)
where:
Base-Base interactions energy: -366.741
where: short stacking energy: -165.015
Base-Backbone interact. energy: -1.151
local terms energy: -198.350847
where:
bonds (distance) C4'-P energy: -40.538
bonds (distance) P-C4' energy: -44.571
flat angles C4'-P-C4' energy: -39.271
flat angles P-C4'-P energy: -34.247
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: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -441.909037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.909037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.909037 (E_RNA)
where:
Base-Base interactions energy: -274.724
where: short stacking energy: -129.330
Base-Backbone interact. energy: 2.331
local terms energy: -169.515172
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -40.376
flat angles C4'-P-C4' energy: -39.826
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -32.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -409.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.324306 (E_RNA)
where:
Base-Base interactions energy: -256.520
where: short stacking energy: -121.544
Base-Backbone interact. energy: -0.666
local terms energy: -152.139162
where:
bonds (distance) C4'-P energy: -36.853
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -31.504
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -22.256
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -428.793085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.793085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.793085 (E_RNA)
where:
Base-Base interactions energy: -258.596
where: short stacking energy: -115.018
Base-Backbone interact. energy: -2.119
local terms energy: -168.077918
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -43.318
flat angles C4'-P-C4' energy: -38.132
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -342.830574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.830574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.830574 (E_RNA)
where:
Base-Base interactions energy: -216.303
where: short stacking energy: -96.564
Base-Backbone interact. energy: -0.457
local terms energy: -126.070434
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -221.587995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.587995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.587995 (E_RNA)
where:
Base-Base interactions energy: -112.419
where: short stacking energy: -71.891
Base-Backbone interact. energy: -0.915
local terms energy: -108.254591
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: 3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -723.100550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.100550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.100550 (E_RNA)
where:
Base-Base interactions energy: -493.051
where: short stacking energy: -209.726
Base-Backbone interact. energy: -0.152
local terms energy: -229.897292
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -47.765
flat angles P-C4'-P energy: -31.781
tors. eta vs tors. theta energy: -65.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -710.319362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.319362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.319362 (E_RNA)
where:
Base-Base interactions energy: -473.496
where: short stacking energy: -225.067
Base-Backbone interact. energy: -0.803
local terms energy: -236.020887
where:
bonds (distance) C4'-P energy: -41.915
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -48.470
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -72.678
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -625.491331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.491331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.491331 (E_RNA)
where:
Base-Base interactions energy: -412.313
where: short stacking energy: -185.741
Base-Backbone interact. energy: -0.646
local terms energy: -212.532209
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -45.290
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -58.710
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -668.144871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.144871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.144871 (E_RNA)
where:
Base-Base interactions energy: -449.200
where: short stacking energy: -207.146
Base-Backbone interact. energy: -0.196
local terms energy: -218.748626
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -43.239
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -66.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -562.065441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.065441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.065441 (E_RNA)
where:
Base-Base interactions energy: -377.617
where: short stacking energy: -176.055
Base-Backbone interact. energy: 0.130
local terms energy: -184.578579
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -36.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -442.947468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.947468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.947468 (E_RNA)
where:
Base-Base interactions energy: -273.349
where: short stacking energy: -138.888
Base-Backbone interact. energy: -1.059
local terms energy: -168.539164
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -35.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -438.754864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.754864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.754864 (E_RNA)
where:
Base-Base interactions energy: -275.729
where: short stacking energy: -118.289
Base-Backbone interact. energy: -0.892
local terms energy: -162.134396
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -28.824
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: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -386.027531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.027531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.027531 (E_RNA)
where:
Base-Base interactions energy: -233.435
where: short stacking energy: -113.614
Base-Backbone interact. energy: -1.441
local terms energy: -151.151442
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -368.367638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.367638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.367638 (E_RNA)
where:
Base-Base interactions energy: -235.417
where: short stacking energy: -98.114
Base-Backbone interact. energy: -0.677
local terms energy: -132.273484
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -184.180908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.180908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.180908 (E_RNA)
where:
Base-Base interactions energy: -61.353
where: short stacking energy: -41.819
Base-Backbone interact. energy: 0.501
local terms energy: -123.328393
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -35.176
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: 7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -749.030532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.030532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.030532 (E_RNA)
where:
Base-Base interactions energy: -516.637
where: short stacking energy: -231.763
Base-Backbone interact. energy: -0.974
local terms energy: -231.419259
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -42.458
flat angles C4'-P-C4' energy: -43.983
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -73.648
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: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -695.766812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.766812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.766812 (E_RNA)
where:
Base-Base interactions energy: -466.585
where: short stacking energy: -220.788
Base-Backbone interact. energy: -0.056
local terms energy: -229.125966
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -47.918
flat angles C4'-P-C4' energy: -46.828
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -69.519
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: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -650.665985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.665985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.665985 (E_RNA)
where:
Base-Base interactions energy: -425.866
where: short stacking energy: -201.995
Base-Backbone interact. energy: -0.821
local terms energy: -223.979295
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -46.157
flat angles C4'-P-C4' energy: -43.742
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -58.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -663.181406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.181406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.181406 (E_RNA)
where:
Base-Base interactions energy: -426.440
where: short stacking energy: -199.815
Base-Backbone interact. energy: -0.691
local terms energy: -236.049925
where:
bonds (distance) C4'-P energy: -45.568
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -48.855
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -67.537
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: 365
Temperature: 1.100000
Total energy: -603.743402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.743402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.743402 (E_RNA)
where:
Base-Base interactions energy: -398.835
where: short stacking energy: -185.866
Base-Backbone interact. energy: -0.940
local terms energy: -203.968400
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -50.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -459.598378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.598378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.598378 (E_RNA)
where:
Base-Base interactions energy: -277.381
where: short stacking energy: -137.102
Base-Backbone interact. energy: -0.232
local terms energy: -181.985530
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -38.078
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -33.906
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: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -404.839433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.839433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.839433 (E_RNA)
where:
Base-Base interactions energy: -234.243
where: short stacking energy: -116.313
Base-Backbone interact. energy: -0.840
local terms energy: -169.756082
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -412.443954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.443954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.443954 (E_RNA)
where:
Base-Base interactions energy: -253.391
where: short stacking energy: -113.687
Base-Backbone interact. energy: -1.068
local terms energy: -157.984620
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -42.529
flat angles P-C4'-P energy: -25.890
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -373.456407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.456407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.456407 (E_RNA)
where:
Base-Base interactions energy: -235.573
where: short stacking energy: -114.458
Base-Backbone interact. energy: -0.722
local terms energy: -137.160920
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -12.655
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: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -187.206047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.206047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.206047 (E_RNA)
where:
Base-Base interactions energy: -68.429
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.213
local terms energy: -118.563767
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -40.255
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -736.855792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.855792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.855792 (E_RNA)
where:
Base-Base interactions energy: -496.245
where: short stacking energy: -222.267
Base-Backbone interact. energy: -0.006
local terms energy: -240.604910
where:
bonds (distance) C4'-P energy: -39.340
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: -77.510
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: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -687.698141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.698141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.698141 (E_RNA)
where:
Base-Base interactions energy: -462.522
where: short stacking energy: -209.787
Base-Backbone interact. energy: -1.174
local terms energy: -224.001661
where:
bonds (distance) C4'-P energy: -40.911
bonds (distance) P-C4' energy: -42.505
flat angles C4'-P-C4' energy: -51.435
flat angles P-C4'-P energy: -25.292
tors. eta vs tors. theta energy: -63.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -674.917675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.917675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.917675 (E_RNA)
where:
Base-Base interactions energy: -449.910
where: short stacking energy: -213.166
Base-Backbone interact. energy: -1.755
local terms energy: -223.252317
where:
bonds (distance) C4'-P energy: -38.115
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -46.024
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -65.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -620.822174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.822174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.822174 (E_RNA)
where:
Base-Base interactions energy: -415.644
where: short stacking energy: -184.307
Base-Backbone interact. energy: -0.212
local terms energy: -204.966152
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -42.156
flat angles P-C4'-P energy: -28.697
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: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -593.041443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.041443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.041443 (E_RNA)
where:
Base-Base interactions energy: -386.175
where: short stacking energy: -171.094
Base-Backbone interact. energy: -0.613
local terms energy: -206.253560
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -38.317
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -52.022
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: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -461.797718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.797718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.797718 (E_RNA)
where:
Base-Base interactions energy: -284.017
where: short stacking energy: -145.748
Base-Backbone interact. energy: -0.100
local terms energy: -177.680182
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -45.004
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -35.611
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: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -389.365828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.365828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.365828 (E_RNA)
where:
Base-Base interactions energy: -237.485
where: short stacking energy: -116.746
Base-Backbone interact. energy: -1.247
local terms energy: -150.633684
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -39.987
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -18.148
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: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -375.936123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.936123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.936123 (E_RNA)
where:
Base-Base interactions energy: -227.228
where: short stacking energy: -95.344
Base-Backbone interact. energy: -0.809
local terms energy: -147.898633
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -45.281
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -346.298572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.298572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.298572 (E_RNA)
where:
Base-Base interactions energy: -206.438
where: short stacking energy: -103.996
Base-Backbone interact. energy: 0.325
local terms energy: -140.186084
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -38.239
flat angles C4'-P-C4' energy: -37.347
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -193.238466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.238466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.238466 (E_RNA)
where:
Base-Base interactions energy: -59.698
where: short stacking energy: -59.685
Base-Backbone interact. energy: 0.920
local terms energy: -134.460688
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -742.585148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.585148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.585148 (E_RNA)
where:
Base-Base interactions energy: -503.056
where: short stacking energy: -230.822
Base-Backbone interact. energy: -0.720
local terms energy: -238.810057
where:
bonds (distance) C4'-P energy: -43.215
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -47.002
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -72.555
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -697.063086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.063086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.063086 (E_RNA)
where:
Base-Base interactions energy: -452.664
where: short stacking energy: -208.993
Base-Backbone interact. energy: -0.991
local terms energy: -243.408216
where:
bonds (distance) C4'-P energy: -38.904
bonds (distance) P-C4' energy: -46.322
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -73.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -682.210754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.210754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.210754 (E_RNA)
where:
Base-Base interactions energy: -455.399
where: short stacking energy: -211.612
Base-Backbone interact. energy: -0.730
local terms energy: -226.081641
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -72.342
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: 367
Temperature: 1.050000
Total energy: -598.509406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.509406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.509406 (E_RNA)
where:
Base-Base interactions energy: -405.257
where: short stacking energy: -170.663
Base-Backbone interact. energy: -0.720
local terms energy: -192.532083
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -45.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -599.576116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.576116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.576116 (E_RNA)
where:
Base-Base interactions energy: -407.059
where: short stacking energy: -163.764
Base-Backbone interact. energy: -1.170
local terms energy: -191.347615
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -46.092
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -47.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -448.021460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.021460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.021460 (E_RNA)
where:
Base-Base interactions energy: -284.845
where: short stacking energy: -147.939
Base-Backbone interact. energy: -0.074
local terms energy: -163.102599
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -41.215
flat angles C4'-P-C4' energy: -35.259
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -34.834
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: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -408.657504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.657504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.657504 (E_RNA)
where:
Base-Base interactions energy: -230.049
where: short stacking energy: -116.243
Base-Backbone interact. energy: -0.612
local terms energy: -177.997299
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -391.367044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.367044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.367044 (E_RNA)
where:
Base-Base interactions energy: -227.339
where: short stacking energy: -120.023
Base-Backbone interact. energy: -0.688
local terms energy: -163.339675
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -28.249
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: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -357.784429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.784429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.784429 (E_RNA)
where:
Base-Base interactions energy: -201.182
where: short stacking energy: -100.516
Base-Backbone interact. energy: 1.023
local terms energy: -157.624805
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -22.274
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -190.484805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.484805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.484805 (E_RNA)
where:
Base-Base interactions energy: -77.624
where: short stacking energy: -49.565
Base-Backbone interact. energy: -1.548
local terms energy: -111.312126
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -731.687570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.687570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.687570 (E_RNA)
where:
Base-Base interactions energy: -493.075
where: short stacking energy: -217.963
Base-Backbone interact. energy: -0.336
local terms energy: -238.276428
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -69.195
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: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -691.573786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.573786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.573786 (E_RNA)
where:
Base-Base interactions energy: -465.025
where: short stacking energy: -210.073
Base-Backbone interact. energy: 0.312
local terms energy: -226.860605
where:
bonds (distance) C4'-P energy: -37.660
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -43.830
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: -70.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -685.660424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.660424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.660424 (E_RNA)
where:
Base-Base interactions energy: -471.892
where: short stacking energy: -210.690
Base-Backbone interact. energy: -0.536
local terms energy: -213.232248
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -36.684
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -67.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -599.376971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.376971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.376971 (E_RNA)
where:
Base-Base interactions energy: -397.016
where: short stacking energy: -175.745
Base-Backbone interact. energy: -1.495
local terms energy: -200.865330
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -43.462
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -48.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -588.844524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.844524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.844524 (E_RNA)
where:
Base-Base interactions energy: -391.801
where: short stacking energy: -170.650
Base-Backbone interact. energy: -0.799
local terms energy: -196.244594
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -44.022
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -49.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -458.526105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.526105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.526105 (E_RNA)
where:
Base-Base interactions energy: -272.974
where: short stacking energy: -144.441
Base-Backbone interact. energy: -0.623
local terms energy: -184.929111
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -44.751
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: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -413.475435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.475435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.475435 (E_RNA)
where:
Base-Base interactions energy: -240.441
where: short stacking energy: -124.610
Base-Backbone interact. energy: 2.032
local terms energy: -175.066371
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -42.469
flat angles C4'-P-C4' energy: -41.834
flat angles P-C4'-P energy: -33.879
tors. eta vs tors. theta energy: -27.946
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -352.027091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.027091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.027091 (E_RNA)
where:
Base-Base interactions energy: -189.969
where: short stacking energy: -95.278
Base-Backbone interact. energy: 0.018
local terms energy: -162.076659
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -322.247991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.247991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.247991 (E_RNA)
where:
Base-Base interactions energy: -187.152
where: short stacking energy: -91.633
Base-Backbone interact. energy: -1.212
local terms energy: -133.883071
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -13.509
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: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -183.000372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.000372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.000372 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -51.266
Base-Backbone interact. energy: -1.150
local terms energy: -116.487349
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -2.714
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: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -730.307424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.307424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.307424 (E_RNA)
where:
Base-Base interactions energy: -481.640
where: short stacking energy: -211.396
Base-Backbone interact. energy: -1.418
local terms energy: -247.248917
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -67.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -693.368845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.368845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.368845 (E_RNA)
where:
Base-Base interactions energy: -453.638
where: short stacking energy: -198.779
Base-Backbone interact. energy: -0.869
local terms energy: -238.861877
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -42.536
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -32.976
tors. eta vs tors. theta energy: -66.247
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -683.596687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.596687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.596687 (E_RNA)
where:
Base-Base interactions energy: -452.647
where: short stacking energy: -209.915
Base-Backbone interact. energy: -0.004
local terms energy: -230.945491
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -44.942
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: -72.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -604.357515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.357515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.357515 (E_RNA)
where:
Base-Base interactions energy: -397.787
where: short stacking energy: -193.019
Base-Backbone interact. energy: -0.250
local terms energy: -206.320749
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -47.205
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -49.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -586.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.903393 (E_RNA)
where:
Base-Base interactions energy: -384.041
where: short stacking energy: -173.469
Base-Backbone interact. energy: -0.740
local terms energy: -202.122431
where:
bonds (distance) C4'-P energy: -39.016
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -51.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -428.233147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.233147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.233147 (E_RNA)
where:
Base-Base interactions energy: -257.477
where: short stacking energy: -105.110
Base-Backbone interact. energy: -1.211
local terms energy: -169.545673
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -40.721
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -429.193815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.193815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.193815 (E_RNA)
where:
Base-Base interactions energy: -274.956
where: short stacking energy: -127.864
Base-Backbone interact. energy: 0.368
local terms energy: -154.605759
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -28.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -383.187344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.187344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.187344 (E_RNA)
where:
Base-Base interactions energy: -229.291
where: short stacking energy: -117.883
Base-Backbone interact. energy: -1.199
local terms energy: -152.697316
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -28.645
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: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -331.217299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.217299 (E_RNA)
where:
Base-Base interactions energy: -190.423
where: short stacking energy: -82.133
Base-Backbone interact. energy: -0.227
local terms energy: -140.567146
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -179.179648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.179648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.179648 (E_RNA)
where:
Base-Base interactions energy: -65.318
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.218
local terms energy: -113.643713
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -37.497
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: 6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -710.349210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.349210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.349210 (E_RNA)
where:
Base-Base interactions energy: -472.798
where: short stacking energy: -216.880
Base-Backbone interact. energy: -0.119
local terms energy: -237.432531
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -67.987
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: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -723.418878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.418878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.418878 (E_RNA)
where:
Base-Base interactions energy: -499.701
where: short stacking energy: -222.133
Base-Backbone interact. energy: -0.601
local terms energy: -223.117084
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -47.901
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -67.651
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: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -684.425644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.425644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.425644 (E_RNA)
where:
Base-Base interactions energy: -467.269
where: short stacking energy: -227.627
Base-Backbone interact. energy: -0.312
local terms energy: -216.844383
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -43.257
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -71.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -587.308958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.308958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.308958 (E_RNA)
where:
Base-Base interactions energy: -385.166
where: short stacking energy: -169.250
Base-Backbone interact. energy: -0.852
local terms energy: -201.290758
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -41.038
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: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -584.363647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.363647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.363647 (E_RNA)
where:
Base-Base interactions energy: -396.217
where: short stacking energy: -163.877
Base-Backbone interact. energy: 0.744
local terms energy: -188.890619
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -42.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -451.035293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.035293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.035293 (E_RNA)
where:
Base-Base interactions energy: -269.073
where: short stacking energy: -136.229
Base-Backbone interact. energy: -0.143
local terms energy: -181.818514
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -43.445
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -28.448
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: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -406.861222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.861222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.861222 (E_RNA)
where:
Base-Base interactions energy: -248.080
where: short stacking energy: -113.612
Base-Backbone interact. energy: -0.589
local terms energy: -158.192537
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -37.848
flat angles C4'-P-C4' energy: -43.019
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -29.586
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -389.373465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.373465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.373465 (E_RNA)
where:
Base-Base interactions energy: -235.959
where: short stacking energy: -116.884
Base-Backbone interact. energy: -0.495
local terms energy: -152.920352
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -40.481
flat angles C4'-P-C4' energy: -37.098
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -330.525143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.525143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.525143 (E_RNA)
where:
Base-Base interactions energy: -199.735
where: short stacking energy: -104.039
Base-Backbone interact. energy: 2.370
local terms energy: -133.159692
where:
bonds (distance) C4'-P energy: -38.270
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -188.808688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.808688 (E_RNA)
where:
Base-Base interactions energy: -95.357
where: short stacking energy: -62.690
Base-Backbone interact. energy: 4.591
local terms energy: -98.042592
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -714.645656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.645656 (E_RNA)
where:
Base-Base interactions energy: -469.781
where: short stacking energy: -222.893
Base-Backbone interact. energy: -0.245
local terms energy: -244.620464
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -41.080
flat angles C4'-P-C4' energy: -52.403
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -72.852
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -697.633891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.633891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.633891 (E_RNA)
where:
Base-Base interactions energy: -459.692
where: short stacking energy: -210.493
Base-Backbone interact. energy: -0.682
local terms energy: -237.259558
where:
bonds (distance) C4'-P energy: -48.031
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: -73.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -699.212644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.212644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.212644 (E_RNA)
where:
Base-Base interactions energy: -469.718
where: short stacking energy: -213.875
Base-Backbone interact. energy: -0.014
local terms energy: -229.480103
where:
bonds (distance) C4'-P energy: -39.675
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -60.998
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: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -602.486366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.486366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.486366 (E_RNA)
where:
Base-Base interactions energy: -405.037
where: short stacking energy: -173.848
Base-Backbone interact. energy: -0.190
local terms energy: -197.258682
where:
bonds (distance) C4'-P energy: -43.632
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -45.793
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -577.403785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.403785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.403785 (E_RNA)
where:
Base-Base interactions energy: -379.785
where: short stacking energy: -170.522
Base-Backbone interact. energy: -0.597
local terms energy: -197.020850
where:
bonds (distance) C4'-P energy: -39.976
bonds (distance) P-C4' energy: -42.134
flat angles C4'-P-C4' energy: -42.959
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -46.092
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -473.911354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.911354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.911354 (E_RNA)
where:
Base-Base interactions energy: -295.801
where: short stacking energy: -143.839
Base-Backbone interact. energy: -1.484
local terms energy: -176.626840
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -43.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -381.984182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.984182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.984182 (E_RNA)
where:
Base-Base interactions energy: -209.154
where: short stacking energy: -101.600
Base-Backbone interact. energy: -0.310
local terms energy: -172.520209
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -26.221
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -385.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.811625 (E_RNA)
where:
Base-Base interactions energy: -209.425
where: short stacking energy: -114.562
Base-Backbone interact. energy: -0.406
local terms energy: -175.980792
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -41.981
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -28.854
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: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -414.913729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.913729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.913729 (E_RNA)
where:
Base-Base interactions energy: -251.402
where: short stacking energy: -131.242
Base-Backbone interact. energy: 0.243
local terms energy: -163.754665
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -47.391
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -197.665991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.665991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.665991 (E_RNA)
where:
Base-Base interactions energy: -78.200
where: short stacking energy: -61.006
Base-Backbone interact. energy: 1.253
local terms energy: -120.719865
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -42.834
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -708.137838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.137838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.137838 (E_RNA)
where:
Base-Base interactions energy: -478.596
where: short stacking energy: -220.262
Base-Backbone interact. energy: -1.397
local terms energy: -228.144705
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -69.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -721.909757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.909757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.909757 (E_RNA)
where:
Base-Base interactions energy: -489.056
where: short stacking energy: -221.399
Base-Backbone interact. energy: -0.020
local terms energy: -232.833975
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -50.112
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -70.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -702.783319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.783319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.783319 (E_RNA)
where:
Base-Base interactions energy: -457.325
where: short stacking energy: -211.115
Base-Backbone interact. energy: -0.505
local terms energy: -244.953074
where:
bonds (distance) C4'-P energy: -44.917
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -48.341
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -70.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -599.131282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.131282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.131282 (E_RNA)
where:
Base-Base interactions energy: -403.986
where: short stacking energy: -182.566
Base-Backbone interact. energy: -0.597
local terms energy: -194.548141
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -46.774
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -50.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -533.630804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.630804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.630804 (E_RNA)
where:
Base-Base interactions energy: -339.503
where: short stacking energy: -154.599
Base-Backbone interact. energy: -0.954
local terms energy: -193.173811
where:
bonds (distance) C4'-P energy: -39.088
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -45.313
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -484.728427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.728427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.728427 (E_RNA)
where:
Base-Base interactions energy: -298.980
where: short stacking energy: -149.170
Base-Backbone interact. energy: -1.006
local terms energy: -184.742804
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -43.913
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -34.503
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: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -377.646475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.646475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.646475 (E_RNA)
where:
Base-Base interactions energy: -223.405
where: short stacking energy: -115.107
Base-Backbone interact. energy: -0.378
local terms energy: -153.863143
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -37.074
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -392.027183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.027183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.027183 (E_RNA)
where:
Base-Base interactions energy: -235.178
where: short stacking energy: -109.576
Base-Backbone interact. energy: 1.184
local terms energy: -158.032559
where:
bonds (distance) C4'-P energy: -39.941
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -360.732035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.732035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.732035 (E_RNA)
where:
Base-Base interactions energy: -218.773
where: short stacking energy: -105.819
Base-Backbone interact. energy: -1.057
local terms energy: -140.902338
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -207.453172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.453172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.453172 (E_RNA)
where:
Base-Base interactions energy: -75.944
where: short stacking energy: -61.781
Base-Backbone interact. energy: 0.156
local terms energy: -131.665106
where:
bonds (distance) C4'-P energy: -35.135
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -17.521
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: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -720.631666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.631666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.631666 (E_RNA)
where:
Base-Base interactions energy: -476.727
where: short stacking energy: -227.693
Base-Backbone interact. energy: -0.015
local terms energy: -243.890190
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -43.088
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -36.692
tors. eta vs tors. theta energy: -74.372
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -719.425129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.425129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.425129 (E_RNA)
where:
Base-Base interactions energy: -493.974
where: short stacking energy: -214.312
Base-Backbone interact. energy: -0.427
local terms energy: -225.024609
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -47.536
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -66.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -690.192671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.192671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.192671 (E_RNA)
where:
Base-Base interactions energy: -462.407
where: short stacking energy: -218.574
Base-Backbone interact. energy: -0.612
local terms energy: -227.173107
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -43.363
flat angles C4'-P-C4' energy: -43.986
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -72.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -615.044836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.044836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.044836 (E_RNA)
where:
Base-Base interactions energy: -402.005
where: short stacking energy: -185.440
Base-Backbone interact. energy: -1.367
local terms energy: -211.673428
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -58.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -528.610317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.610317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.610317 (E_RNA)
where:
Base-Base interactions energy: -346.318
where: short stacking energy: -151.667
Base-Backbone interact. energy: 1.171
local terms energy: -183.463492
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -38.031
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: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -482.323890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.323890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.323890 (E_RNA)
where:
Base-Base interactions energy: -307.118
where: short stacking energy: -152.376
Base-Backbone interact. energy: 1.716
local terms energy: -176.921647
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -35.621
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -40.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -385.696653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.696653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.696653 (E_RNA)
where:
Base-Base interactions energy: -228.927
where: short stacking energy: -106.892
Base-Backbone interact. energy: 0.127
local terms energy: -156.896482
where:
bonds (distance) C4'-P energy: -41.631
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -19.417
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: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -397.373329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.373329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.373329 (E_RNA)
where:
Base-Base interactions energy: -233.463
where: short stacking energy: -115.944
Base-Backbone interact. energy: -0.680
local terms energy: -163.230152
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -372.215924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.215924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.215924 (E_RNA)
where:
Base-Base interactions energy: -228.793
where: short stacking energy: -104.113
Base-Backbone interact. energy: -0.155
local terms energy: -143.267455
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -212.560449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.560449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.560449 (E_RNA)
where:
Base-Base interactions energy: -87.515
where: short stacking energy: -56.527
Base-Backbone interact. energy: 0.626
local terms energy: -125.671252
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -26.853
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -737.583272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.583272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.583272 (E_RNA)
where:
Base-Base interactions energy: -503.635
where: short stacking energy: -219.805
Base-Backbone interact. energy: -1.168
local terms energy: -232.780575
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -71.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -678.655314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.655314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.655314 (E_RNA)
where:
Base-Base interactions energy: -444.300
where: short stacking energy: -194.000
Base-Backbone interact. energy: 0.203
local terms energy: -234.558546
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -51.499
flat angles P-C4'-P energy: -33.429
tors. eta vs tors. theta energy: -64.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -675.108430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.108430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.108430 (E_RNA)
where:
Base-Base interactions energy: -446.953
where: short stacking energy: -205.134
Base-Backbone interact. energy: -0.584
local terms energy: -227.570960
where:
bonds (distance) C4'-P energy: -45.539
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -45.638
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -66.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -620.646263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.646263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.646263 (E_RNA)
where:
Base-Base interactions energy: -412.071
where: short stacking energy: -195.648
Base-Backbone interact. energy: -0.287
local terms energy: -208.288660
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -57.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -527.652780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.652780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.652780 (E_RNA)
where:
Base-Base interactions energy: -338.713
where: short stacking energy: -156.794
Base-Backbone interact. energy: -0.256
local terms energy: -188.683590
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -47.633
flat angles C4'-P-C4' energy: -37.571
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: -41.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -447.838404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.838404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.838404 (E_RNA)
where:
Base-Base interactions energy: -272.835
where: short stacking energy: -126.279
Base-Backbone interact. energy: -0.757
local terms energy: -174.246008
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -45.301
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -23.223
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: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -426.997161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.997161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.997161 (E_RNA)
where:
Base-Base interactions energy: -252.591
where: short stacking energy: -129.268
Base-Backbone interact. energy: -0.455
local terms energy: -173.950614
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -360.969308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.969308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.969308 (E_RNA)
where:
Base-Base interactions energy: -222.235
where: short stacking energy: -99.407
Base-Backbone interact. energy: -0.585
local terms energy: -138.149811
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -359.347981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.347981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.347981 (E_RNA)
where:
Base-Base interactions energy: -216.929
where: short stacking energy: -105.869
Base-Backbone interact. energy: 3.140
local terms energy: -145.558612
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -39.888
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -183.597518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.597518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.597518 (E_RNA)
where:
Base-Base interactions energy: -57.286
where: short stacking energy: -50.496
Base-Backbone interact. energy: 2.184
local terms energy: -128.495107
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -744.054740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.054740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.054740 (E_RNA)
where:
Base-Base interactions energy: -503.079
where: short stacking energy: -225.933
Base-Backbone interact. energy: 3.288
local terms energy: -244.263834
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -73.026
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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -697.006212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.006212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.006212 (E_RNA)
where:
Base-Base interactions energy: -474.119
where: short stacking energy: -219.007
Base-Backbone interact. energy: -1.126
local terms energy: -221.761065
where:
bonds (distance) C4'-P energy: -37.459
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -46.438
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -65.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -686.101300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.101300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.101300 (E_RNA)
where:
Base-Base interactions energy: -459.872
where: short stacking energy: -218.189
Base-Backbone interact. energy: 0.560
local terms energy: -226.788943
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -40.397
flat angles C4'-P-C4' energy: -49.304
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -72.470
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: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -614.349773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.349773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.349773 (E_RNA)
where:
Base-Base interactions energy: -410.897
where: short stacking energy: -197.645
Base-Backbone interact. energy: -0.493
local terms energy: -202.960353
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -54.272
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: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -525.169045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.169045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.169045 (E_RNA)
where:
Base-Base interactions energy: -347.163
where: short stacking energy: -156.915
Base-Backbone interact. energy: -0.047
local terms energy: -177.959329
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -45.136
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -43.112
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: 375
Temperature: 1.150000
Total energy: -422.290344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.290344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.290344 (E_RNA)
where:
Base-Base interactions energy: -260.986
where: short stacking energy: -115.832
Base-Backbone interact. energy: -2.117
local terms energy: -159.187820
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -37.534
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -21.193
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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -467.224681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.224681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.224681 (E_RNA)
where:
Base-Base interactions energy: -306.601
where: short stacking energy: -129.759
Base-Backbone interact. energy: -0.233
local terms energy: -160.390580
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -40.179
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -369.027634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.027634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.027634 (E_RNA)
where:
Base-Base interactions energy: -228.548
where: short stacking energy: -107.088
Base-Backbone interact. energy: 1.695
local terms energy: -142.174525
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -367.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.141879 (E_RNA)
where:
Base-Base interactions energy: -214.045
where: short stacking energy: -109.015
Base-Backbone interact. energy: 2.505
local terms energy: -155.602533
where:
bonds (distance) C4'-P energy: -37.390
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -179.353988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.353988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.353988 (E_RNA)
where:
Base-Base interactions energy: -48.564
where: short stacking energy: -45.517
Base-Backbone interact. energy: -1.223
local terms energy: -129.567585
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: 6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -750.128479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.128479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.128479 (E_RNA)
where:
Base-Base interactions energy: -508.977
where: short stacking energy: -232.580
Base-Backbone interact. energy: -0.953
local terms energy: -240.198026
where:
bonds (distance) C4'-P energy: -38.722
bonds (distance) P-C4' energy: -47.506
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: -70.817
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -705.178476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.178476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.178476 (E_RNA)
where:
Base-Base interactions energy: -480.970
where: short stacking energy: -228.251
Base-Backbone interact. energy: 1.036
local terms energy: -225.243937
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -73.574
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: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -613.173459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.173459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.173459 (E_RNA)
where:
Base-Base interactions energy: -404.279
where: short stacking energy: -184.256
Base-Backbone interact. energy: -1.264
local terms energy: -207.630433
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -47.705
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -53.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -678.753905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.753905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.753905 (E_RNA)
where:
Base-Base interactions energy: -459.447
where: short stacking energy: -208.021
Base-Backbone interact. energy: -0.107
local terms energy: -219.199487
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -43.863
flat angles P-C4'-P energy: -30.428
tors. eta vs tors. theta energy: -68.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -521.334828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.334828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.334828 (E_RNA)
where:
Base-Base interactions energy: -352.923
where: short stacking energy: -147.138
Base-Backbone interact. energy: -1.323
local terms energy: -167.089033
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -36.144
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -429.109319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.109319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.109319 (E_RNA)
where:
Base-Base interactions energy: -268.625
where: short stacking energy: -115.170
Base-Backbone interact. energy: -0.043
local terms energy: -160.441620
where:
bonds (distance) C4'-P energy: -38.159
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -463.268534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.268534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.268534 (E_RNA)
where:
Base-Base interactions energy: -295.706
where: short stacking energy: -132.079
Base-Backbone interact. energy: -0.551
local terms energy: -167.012462
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -39.266
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -295.689151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.689151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.689151 (E_RNA)
where:
Base-Base interactions energy: -161.300
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.150
local terms energy: -134.239763
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -7.799
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: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -349.920701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.920701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.920701 (E_RNA)
where:
Base-Base interactions energy: -208.523
where: short stacking energy: -102.743
Base-Backbone interact. energy: -1.526
local terms energy: -139.871793
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -37.052
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -189.853451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.853451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.853451 (E_RNA)
where:
Base-Base interactions energy: -58.804
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.743
local terms energy: -130.306040
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -748.733714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.733714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.733714 (E_RNA)
where:
Base-Base interactions energy: -507.739
where: short stacking energy: -227.171
Base-Backbone interact. energy: -1.693
local terms energy: -239.302371
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -51.231
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -75.879
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -717.218821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.218821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.218821 (E_RNA)
where:
Base-Base interactions energy: -472.304
where: short stacking energy: -213.342
Base-Backbone interact. energy: -0.866
local terms energy: -244.048845
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -48.061
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -72.478
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: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -604.005377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.005377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.005377 (E_RNA)
where:
Base-Base interactions energy: -391.921
where: short stacking energy: -177.254
Base-Backbone interact. energy: -0.705
local terms energy: -211.379502
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -50.423
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: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -670.081834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.081834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.081834 (E_RNA)
where:
Base-Base interactions energy: -448.470
where: short stacking energy: -204.210
Base-Backbone interact. energy: -0.119
local terms energy: -221.492806
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -69.712
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: 377
Temperature: 1.100000
Total energy: -531.863381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.863381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.863381 (E_RNA)
where:
Base-Base interactions energy: -337.131
where: short stacking energy: -149.459
Base-Backbone interact. energy: 0.611
local terms energy: -195.343548
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -44.015
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -35.979
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: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -460.300113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.300113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.300113 (E_RNA)
where:
Base-Base interactions energy: -286.877
where: short stacking energy: -133.505
Base-Backbone interact. energy: 0.873
local terms energy: -174.296545
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -36.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -437.272571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.272571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.272571 (E_RNA)
where:
Base-Base interactions energy: -269.994
where: short stacking energy: -117.079
Base-Backbone interact. energy: -0.279
local terms energy: -166.999213
where:
bonds (distance) C4'-P energy: -45.440
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -26.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -350.245216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.245216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.245216 (E_RNA)
where:
Base-Base interactions energy: -198.939
where: short stacking energy: -98.277
Base-Backbone interact. energy: -0.250
local terms energy: -151.056113
where:
bonds (distance) C4'-P energy: -38.802
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -279.992585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.992585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.992585 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.702
local terms energy: -131.278988
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -201.594959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.594959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.594959 (E_RNA)
where:
Base-Base interactions energy: -61.871
where: short stacking energy: -58.052
Base-Backbone interact. energy: 0.275
local terms energy: -139.999690
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -8.125
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: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -740.387886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.387886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.387886 (E_RNA)
where:
Base-Base interactions energy: -494.260
where: short stacking energy: -224.890
Base-Backbone interact. energy: -0.217
local terms energy: -245.910354
where:
bonds (distance) C4'-P energy: -39.383
bonds (distance) P-C4' energy: -47.185
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -76.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -695.332812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.332812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.332812 (E_RNA)
where:
Base-Base interactions energy: -472.490
where: short stacking energy: -208.810
Base-Backbone interact. energy: -0.018
local terms energy: -222.824335
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -42.815
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -32.064
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: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -688.399364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.399364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.399364 (E_RNA)
where:
Base-Base interactions energy: -472.587
where: short stacking energy: -203.270
Base-Backbone interact. energy: -0.269
local terms energy: -215.544078
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -69.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -619.968178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.968178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.968178 (E_RNA)
where:
Base-Base interactions energy: -413.648
where: short stacking energy: -186.766
Base-Backbone interact. energy: -0.593
local terms energy: -205.726775
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -43.559
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -51.238
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: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -491.515996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.515996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.515996 (E_RNA)
where:
Base-Base interactions energy: -312.183
where: short stacking energy: -138.794
Base-Backbone interact. energy: -0.795
local terms energy: -178.538454
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -34.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -485.535326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.535326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.535326 (E_RNA)
where:
Base-Base interactions energy: -325.778
where: short stacking energy: -128.274
Base-Backbone interact. energy: -0.207
local terms energy: -159.549825
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -25.795
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -404.742899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.742899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.742899 (E_RNA)
where:
Base-Base interactions energy: -257.199
where: short stacking energy: -129.893
Base-Backbone interact. energy: 0.144
local terms energy: -147.688121
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -28.126
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: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -382.004134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.004134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.004134 (E_RNA)
where:
Base-Base interactions energy: -224.111
where: short stacking energy: -109.377
Base-Backbone interact. energy: -0.463
local terms energy: -157.430019
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -37.834
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -264.676935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.676935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.676935 (E_RNA)
where:
Base-Base interactions energy: -130.688
where: short stacking energy: -74.788
Base-Backbone interact. energy: 1.342
local terms energy: -135.330554
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -179.387217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387217 (E_RNA)
where:
Base-Base interactions energy: -61.879
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.061
local terms energy: -117.447229
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -41.785
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: 8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -745.939324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.939324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.939324 (E_RNA)
where:
Base-Base interactions energy: -501.019
where: short stacking energy: -226.427
Base-Backbone interact. energy: -1.171
local terms energy: -243.749222
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -49.633
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -72.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -700.494118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.494118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.494118 (E_RNA)
where:
Base-Base interactions energy: -469.331
where: short stacking energy: -225.508
Base-Backbone interact. energy: -0.113
local terms energy: -231.049685
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -72.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -681.496341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.496341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.496341 (E_RNA)
where:
Base-Base interactions energy: -450.854
where: short stacking energy: -212.901
Base-Backbone interact. energy: -0.092
local terms energy: -230.550861
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -43.846
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -70.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -491.036033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.036033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.036033 (E_RNA)
where:
Base-Base interactions energy: -322.630
where: short stacking energy: -158.895
Base-Backbone interact. energy: -0.306
local terms energy: -168.099877
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -41.372
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -38.537
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: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -573.406834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.406834 (E_RNA)
where:
Base-Base interactions energy: -373.569
where: short stacking energy: -176.466
Base-Backbone interact. energy: -0.637
local terms energy: -199.200826
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -52.906
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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -507.673274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.673274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.673274 (E_RNA)
where:
Base-Base interactions energy: -345.436
where: short stacking energy: -161.952
Base-Backbone interact. energy: 0.060
local terms energy: -162.296476
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -38.219
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -37.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -414.049176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.049176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.049176 (E_RNA)
where:
Base-Base interactions energy: -232.449
where: short stacking energy: -114.150
Base-Backbone interact. energy: -0.193
local terms energy: -181.407845
where:
bonds (distance) C4'-P energy: -45.890
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -27.357
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: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -353.564024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.564024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.564024 (E_RNA)
where:
Base-Base interactions energy: -200.421
where: short stacking energy: -105.585
Base-Backbone interact. energy: -0.924
local terms energy: -152.218687
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -43.260
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -297.094856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.094856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.094856 (E_RNA)
where:
Base-Base interactions energy: -150.250
where: short stacking energy: -87.306
Base-Backbone interact. energy: 0.850
local terms energy: -147.695038
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -42.250
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -198.663730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.663730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.663730 (E_RNA)
where:
Base-Base interactions energy: -68.397
where: short stacking energy: -67.412
Base-Backbone interact. energy: -1.025
local terms energy: -129.241511
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -748.370028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.370028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.370028 (E_RNA)
where:
Base-Base interactions energy: -501.429
where: short stacking energy: -227.273
Base-Backbone interact. energy: -0.661
local terms energy: -246.280022
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -46.846
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -75.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -698.005142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.005142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.005142 (E_RNA)
where:
Base-Base interactions energy: -461.230
where: short stacking energy: -216.769
Base-Backbone interact. energy: -0.495
local terms energy: -236.279729
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -47.949
flat angles P-C4'-P energy: -33.130
tors. eta vs tors. theta energy: -68.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -671.198709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.198709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.198709 (E_RNA)
where:
Base-Base interactions energy: -450.112
where: short stacking energy: -187.144
Base-Backbone interact. energy: -0.781
local terms energy: -220.306300
where:
bonds (distance) C4'-P energy: -43.499
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -60.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -552.971805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.971805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.971805 (E_RNA)
where:
Base-Base interactions energy: -349.555
where: short stacking energy: -158.195
Base-Backbone interact. energy: -0.339
local terms energy: -203.077638
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -50.249
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -594.889555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.889555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.889555 (E_RNA)
where:
Base-Base interactions energy: -396.695
where: short stacking energy: -167.570
Base-Backbone interact. energy: -0.091
local terms energy: -198.103296
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -36.578
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: -58.008
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: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -490.238349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.238349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.238349 (E_RNA)
where:
Base-Base interactions energy: -309.577
where: short stacking energy: -141.912
Base-Backbone interact. energy: 1.072
local terms energy: -181.732863
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -32.391
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -416.611380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.611380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.611380 (E_RNA)
where:
Base-Base interactions energy: -256.759
where: short stacking energy: -128.368
Base-Backbone interact. energy: -0.628
local terms energy: -159.223662
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -356.137761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.137761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.137761 (E_RNA)
where:
Base-Base interactions energy: -197.349
where: short stacking energy: -105.408
Base-Backbone interact. energy: 0.205
local terms energy: -158.993621
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -326.586169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.586169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.586169 (E_RNA)
where:
Base-Base interactions energy: -184.702
where: short stacking energy: -86.301
Base-Backbone interact. energy: -1.004
local terms energy: -140.880137
where:
bonds (distance) C4'-P energy: -45.786
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -187.758575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.758575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.758575 (E_RNA)
where:
Base-Base interactions energy: -66.679
where: short stacking energy: -61.316
Base-Backbone interact. energy: 0.910
local terms energy: -121.989795
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -748.250632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.250632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.250632 (E_RNA)
where:
Base-Base interactions energy: -507.207
where: short stacking energy: -222.824
Base-Backbone interact. energy: -0.404
local terms energy: -240.639327
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -43.511
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -75.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -707.423513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.423513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.423513 (E_RNA)
where:
Base-Base interactions energy: -474.263
where: short stacking energy: -222.505
Base-Backbone interact. energy: -1.136
local terms energy: -232.024408
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -46.675
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -71.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -674.756478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.756478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.756478 (E_RNA)
where:
Base-Base interactions energy: -450.516
where: short stacking energy: -211.872
Base-Backbone interact. energy: -0.216
local terms energy: -224.024963
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -69.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -603.106786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.106786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.106786 (E_RNA)
where:
Base-Base interactions energy: -390.883
where: short stacking energy: -164.012
Base-Backbone interact. energy: -2.235
local terms energy: -209.989276
where:
bonds (distance) C4'-P energy: -35.422
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -32.383
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: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -536.081318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.081318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.081318 (E_RNA)
where:
Base-Base interactions energy: -360.291
where: short stacking energy: -151.198
Base-Backbone interact. energy: 1.347
local terms energy: -177.137129
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -40.824
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -502.992413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.992413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.992413 (E_RNA)
where:
Base-Base interactions energy: -319.423
where: short stacking energy: -139.320
Base-Backbone interact. energy: -0.231
local terms energy: -183.338698
where:
bonds (distance) C4'-P energy: -37.484
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -35.038
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: 381
Temperature: 1.200000
Total energy: -419.213625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.213625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.213625 (E_RNA)
where:
Base-Base interactions energy: -242.897
where: short stacking energy: -112.228
Base-Backbone interact. energy: -0.625
local terms energy: -175.692065
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -46.196
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -357.468667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.468667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.468667 (E_RNA)
where:
Base-Base interactions energy: -191.248
where: short stacking energy: -94.941
Base-Backbone interact. energy: -0.533
local terms energy: -165.688059
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -343.617562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.617562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.617562 (E_RNA)
where:
Base-Base interactions energy: -203.033
where: short stacking energy: -107.433
Base-Backbone interact. energy: 0.793
local terms energy: -141.377413
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -36.640
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -200.690334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.690334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.690334 (E_RNA)
where:
Base-Base interactions energy: -74.476
where: short stacking energy: -58.516
Base-Backbone interact. energy: 0.828
local terms energy: -127.042183
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -741.384667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.384667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.384667 (E_RNA)
where:
Base-Base interactions energy: -505.211
where: short stacking energy: -224.246
Base-Backbone interact. energy: 0.399
local terms energy: -236.573078
where:
bonds (distance) C4'-P energy: -33.972
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -78.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -708.812760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.812760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.812760 (E_RNA)
where:
Base-Base interactions energy: -482.223
where: short stacking energy: -222.574
Base-Backbone interact. energy: 0.517
local terms energy: -227.107549
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -43.350
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -72.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -675.375277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.375277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.375277 (E_RNA)
where:
Base-Base interactions energy: -454.335
where: short stacking energy: -202.290
Base-Backbone interact. energy: -1.400
local terms energy: -219.640273
where:
bonds (distance) C4'-P energy: -41.314
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -67.589
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -596.989409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.989409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.989409 (E_RNA)
where:
Base-Base interactions energy: -392.805
where: short stacking energy: -169.066
Base-Backbone interact. energy: -0.525
local terms energy: -203.658544
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -54.377
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: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -510.964217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.964217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.964217 (E_RNA)
where:
Base-Base interactions energy: -334.504
where: short stacking energy: -152.019
Base-Backbone interact. energy: -0.385
local terms energy: -176.074444
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -498.493299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.493299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.493299 (E_RNA)
where:
Base-Base interactions energy: -321.895
where: short stacking energy: -138.676
Base-Backbone interact. energy: -0.256
local terms energy: -176.341768
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -37.829
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -35.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -402.402912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.402912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.402912 (E_RNA)
where:
Base-Base interactions energy: -250.471
where: short stacking energy: -124.197
Base-Backbone interact. energy: -0.207
local terms energy: -151.725085
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -38.322
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -17.162
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: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -337.618465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.618465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.618465 (E_RNA)
where:
Base-Base interactions energy: -188.418
where: short stacking energy: -101.425
Base-Backbone interact. energy: -1.754
local terms energy: -147.446199
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -39.314
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -22.866
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -309.260571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.260571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.260571 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -82.348
Base-Backbone interact. energy: 0.357
local terms energy: -149.620583
where:
bonds (distance) C4'-P energy: -41.339
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -183.090593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.090593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.090593 (E_RNA)
where:
Base-Base interactions energy: -55.738
where: short stacking energy: -38.674
Base-Backbone interact. energy: 3.549
local terms energy: -130.902258
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: 5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -741.649550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.649550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.649550 (E_RNA)
where:
Base-Base interactions energy: -500.336
where: short stacking energy: -208.443
Base-Backbone interact. energy: -0.598
local terms energy: -240.715977
where:
bonds (distance) C4'-P energy: -42.236
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -67.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -704.916657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.916657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.916657 (E_RNA)
where:
Base-Base interactions energy: -473.273
where: short stacking energy: -213.911
Base-Backbone interact. energy: 0.317
local terms energy: -231.960455
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -46.772
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -69.203
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: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -691.922236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.922236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.922236 (E_RNA)
where:
Base-Base interactions energy: -455.728
where: short stacking energy: -211.475
Base-Backbone interact. energy: -0.495
local terms energy: -235.699617
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -46.894
flat angles C4'-P-C4' energy: -43.202
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -77.175
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -622.729310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.729310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.729310 (E_RNA)
where:
Base-Base interactions energy: -419.024
where: short stacking energy: -183.438
Base-Backbone interact. energy: -1.788
local terms energy: -201.917464
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -61.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -543.573147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.573147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.573147 (E_RNA)
where:
Base-Base interactions energy: -363.251
where: short stacking energy: -162.647
Base-Backbone interact. energy: -1.811
local terms energy: -178.511279
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -36.913
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -41.086
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: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -477.248522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.248522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.248522 (E_RNA)
where:
Base-Base interactions energy: -300.507
where: short stacking energy: -126.034
Base-Backbone interact. energy: -0.481
local terms energy: -176.261079
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -45.295
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -29.701
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: 383
Temperature: 1.200000
Total energy: -429.982288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.982288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.982288 (E_RNA)
where:
Base-Base interactions energy: -292.540
where: short stacking energy: -116.222
Base-Backbone interact. energy: 1.081
local terms energy: -138.522965
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -376.169675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.169675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.169675 (E_RNA)
where:
Base-Base interactions energy: -236.221
where: short stacking energy: -107.409
Base-Backbone interact. energy: -0.496
local terms energy: -139.452284
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -42.286
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -284.619554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.619554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.619554 (E_RNA)
where:
Base-Base interactions energy: -145.794
where: short stacking energy: -89.320
Base-Backbone interact. energy: -0.419
local terms energy: -138.405731
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -41.846
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -9.745
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -184.778992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.778992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.778992 (E_RNA)
where:
Base-Base interactions energy: -55.651
where: short stacking energy: -47.479
Base-Backbone interact. energy: 0.736
local terms energy: -129.863325
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -38.614
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -750.706099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.706099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.706099 (E_RNA)
where:
Base-Base interactions energy: -514.011
where: short stacking energy: -230.048
Base-Backbone interact. energy: 1.354
local terms energy: -238.049939
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -72.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -702.724361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.724361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.724361 (E_RNA)
where:
Base-Base interactions energy: -462.182
where: short stacking energy: -221.047
Base-Backbone interact. energy: -1.076
local terms energy: -239.465700
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -48.485
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -69.650
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -663.831966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.831966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.831966 (E_RNA)
where:
Base-Base interactions energy: -451.731
where: short stacking energy: -210.457
Base-Backbone interact. energy: -1.371
local terms energy: -210.729601
where:
bonds (distance) C4'-P energy: -34.355
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -48.183
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -62.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -607.338506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.338506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.338506 (E_RNA)
where:
Base-Base interactions energy: -397.160
where: short stacking energy: -197.497
Base-Backbone interact. energy: 1.196
local terms energy: -211.375345
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -45.746
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -61.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -520.051792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.051792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.051792 (E_RNA)
where:
Base-Base interactions energy: -341.485
where: short stacking energy: -142.974
Base-Backbone interact. energy: -0.646
local terms energy: -177.920793
where:
bonds (distance) C4'-P energy: -38.451
bonds (distance) P-C4' energy: -38.475
flat angles C4'-P-C4' energy: -40.680
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -31.270
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: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -484.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.846735 (E_RNA)
where:
Base-Base interactions energy: -311.668
where: short stacking energy: -139.517
Base-Backbone interact. energy: -0.440
local terms energy: -172.739421
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -33.147
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -404.680048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.680048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.680048 (E_RNA)
where:
Base-Base interactions energy: -236.503
where: short stacking energy: -117.631
Base-Backbone interact. energy: -1.176
local terms energy: -167.000731
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -47.362
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -421.200438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.200438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.200438 (E_RNA)
where:
Base-Base interactions energy: -249.914
where: short stacking energy: -138.228
Base-Backbone interact. energy: 0.593
local terms energy: -171.879336
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -37.569
flat angles C4'-P-C4' energy: -42.661
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -36.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -292.329010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.329010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.329010 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -78.908
Base-Backbone interact. energy: -1.737
local terms energy: -156.729390
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -45.391
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -15.380
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: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -195.514303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.514303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.514303 (E_RNA)
where:
Base-Base interactions energy: -76.420
where: short stacking energy: -61.526
Base-Backbone interact. energy: 3.480
local terms energy: -122.574278
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: 4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -737.749338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.749338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.749338 (E_RNA)
where:
Base-Base interactions energy: -504.858
where: short stacking energy: -225.045
Base-Backbone interact. energy: -1.350
local terms energy: -231.541683
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -47.175
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -69.494
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: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -692.557912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.557912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.557912 (E_RNA)
where:
Base-Base interactions energy: -463.506
where: short stacking energy: -207.899
Base-Backbone interact. energy: 1.354
local terms energy: -230.405979
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -50.410
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -64.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -664.745068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.745068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.745068 (E_RNA)
where:
Base-Base interactions energy: -453.596
where: short stacking energy: -205.835
Base-Backbone interact. energy: -0.340
local terms energy: -210.809255
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -47.622
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -621.859734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.859734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.859734 (E_RNA)
where:
Base-Base interactions energy: -405.648
where: short stacking energy: -178.085
Base-Backbone interact. energy: -1.261
local terms energy: -214.951202
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -40.695
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -51.563
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: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -536.860897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.860897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.860897 (E_RNA)
where:
Base-Base interactions energy: -356.768
where: short stacking energy: -155.798
Base-Backbone interact. energy: 0.649
local terms energy: -180.741440
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -477.489833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.489833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.489833 (E_RNA)
where:
Base-Base interactions energy: -300.439
where: short stacking energy: -149.278
Base-Backbone interact. energy: -0.346
local terms energy: -176.704689
where:
bonds (distance) C4'-P energy: -36.758
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -39.003
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -40.818
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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -359.743729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.743729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.743729 (E_RNA)
where:
Base-Base interactions energy: -201.145
where: short stacking energy: -107.075
Base-Backbone interact. energy: 0.393
local terms energy: -158.991851
where:
bonds (distance) C4'-P energy: -35.925
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -404.388650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.388650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.388650 (E_RNA)
where:
Base-Base interactions energy: -233.968
where: short stacking energy: -118.719
Base-Backbone interact. energy: -0.071
local terms energy: -170.348699
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -37.985
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -34.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -284.254971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.254971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.254971 (E_RNA)
where:
Base-Base interactions energy: -158.909
where: short stacking energy: -83.808
Base-Backbone interact. energy: -0.270
local terms energy: -125.076275
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -3.801
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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -188.843446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.843446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.843446 (E_RNA)
where:
Base-Base interactions energy: -58.141
where: short stacking energy: -46.134
Base-Backbone interact. energy: -0.682
local terms energy: -130.019551
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: 3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -735.253868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.253868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.253868 (E_RNA)
where:
Base-Base interactions energy: -487.898
where: short stacking energy: -222.476
Base-Backbone interact. energy: -0.415
local terms energy: -246.941076
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -55.315
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: -69.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -694.635868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.635868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.635868 (E_RNA)
where:
Base-Base interactions energy: -463.930
where: short stacking energy: -209.322
Base-Backbone interact. energy: -1.352
local terms energy: -229.354703
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -49.150
flat angles P-C4'-P energy: -28.451
tors. eta vs tors. theta energy: -69.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -663.644309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.644309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.644309 (E_RNA)
where:
Base-Base interactions energy: -444.538
where: short stacking energy: -199.732
Base-Backbone interact. energy: 0.092
local terms energy: -219.199158
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -43.156
flat angles P-C4'-P energy: -36.962
tors. eta vs tors. theta energy: -62.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -583.631595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.631595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.631595 (E_RNA)
where:
Base-Base interactions energy: -388.289
where: short stacking energy: -171.697
Base-Backbone interact. energy: -1.326
local terms energy: -194.016008
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -49.797
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: 386
Temperature: 1.100000
Total energy: -513.496751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.496751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.496751 (E_RNA)
where:
Base-Base interactions energy: -328.630
where: short stacking energy: -151.422
Base-Backbone interact. energy: -0.848
local terms energy: -184.018765
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -34.569
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -40.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -495.006607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.006607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.006607 (E_RNA)
where:
Base-Base interactions energy: -329.844
where: short stacking energy: -150.033
Base-Backbone interact. energy: -1.390
local terms energy: -163.772904
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -28.885
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: 386
Temperature: 1.200000
Total energy: -382.816794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.816794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.816794 (E_RNA)
where:
Base-Base interactions energy: -239.673
where: short stacking energy: -120.719
Base-Backbone interact. energy: -1.570
local terms energy: -141.573572
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -344.689640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.689640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.689640 (E_RNA)
where:
Base-Base interactions energy: -196.515
where: short stacking energy: -104.982
Base-Backbone interact. energy: 1.604
local terms energy: -149.779021
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -19.621
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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -293.030057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.030057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.030057 (E_RNA)
where:
Base-Base interactions energy: -162.516
where: short stacking energy: -91.426
Base-Backbone interact. energy: 0.363
local terms energy: -130.876898
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -185.246799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.246799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.246799 (E_RNA)
where:
Base-Base interactions energy: -66.374
where: short stacking energy: -51.870
Base-Backbone interact. energy: 0.708
local terms energy: -119.579939
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -729.711991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.711991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.711991 (E_RNA)
where:
Base-Base interactions energy: -496.950
where: short stacking energy: -220.808
Base-Backbone interact. energy: -0.689
local terms energy: -232.072795
where:
bonds (distance) C4'-P energy: -42.283
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -65.387
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: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -694.153493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.153493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.153493 (E_RNA)
where:
Base-Base interactions energy: -468.782
where: short stacking energy: -218.410
Base-Backbone interact. energy: 1.531
local terms energy: -226.902396
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -34.270
tors. eta vs tors. theta energy: -64.649
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -635.007350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.007350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.007350 (E_RNA)
where:
Base-Base interactions energy: -422.941
where: short stacking energy: -200.328
Base-Backbone interact. energy: -0.196
local terms energy: -211.869930
where:
bonds (distance) C4'-P energy: -43.345
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -58.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -608.284622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.284622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.284622 (E_RNA)
where:
Base-Base interactions energy: -391.356
where: short stacking energy: -190.601
Base-Backbone interact. energy: -0.073
local terms energy: -216.855654
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -43.846
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -55.205
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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -500.931989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.931989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.931989 (E_RNA)
where:
Base-Base interactions energy: -319.000
where: short stacking energy: -150.623
Base-Backbone interact. energy: 1.249
local terms energy: -183.181092
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -46.007
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -39.220
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: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -491.008633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.008633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.008633 (E_RNA)
where:
Base-Base interactions energy: -304.851
where: short stacking energy: -143.123
Base-Backbone interact. energy: -0.413
local terms energy: -185.744700
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -30.966
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: 387
Temperature: 1.200000
Total energy: -441.002937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.002937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.002937 (E_RNA)
where:
Base-Base interactions energy: -275.737
where: short stacking energy: -134.003
Base-Backbone interact. energy: -0.386
local terms energy: -164.880148
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -348.597672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.597672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.597672 (E_RNA)
where:
Base-Base interactions energy: -201.729
where: short stacking energy: -91.291
Base-Backbone interact. energy: -0.505
local terms energy: -146.363524
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -27.340
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -280.822953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.822953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.822953 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.068
local terms energy: -142.266414
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -165.124184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.124184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.124184 (E_RNA)
where:
Base-Base interactions energy: -59.356
where: short stacking energy: -50.832
Base-Backbone interact. energy: 1.873
local terms energy: -107.640770
where:
bonds (distance) C4'-P energy: -36.306
bonds (distance) P-C4' energy: -36.541
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -730.981992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.981992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.981992 (E_RNA)
where:
Base-Base interactions energy: -488.448
where: short stacking energy: -217.271
Base-Backbone interact. energy: -0.317
local terms energy: -242.217392
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -68.788
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: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -692.106829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.106829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.106829 (E_RNA)
where:
Base-Base interactions energy: -460.855
where: short stacking energy: -218.151
Base-Backbone interact. energy: -0.617
local terms energy: -230.634796
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -45.062
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -71.825
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -669.725972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.725972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.725972 (E_RNA)
where:
Base-Base interactions energy: -446.201
where: short stacking energy: -194.343
Base-Backbone interact. energy: -0.298
local terms energy: -223.227012
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -44.797
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -58.473
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -625.730630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.730630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.730630 (E_RNA)
where:
Base-Base interactions energy: -412.292
where: short stacking energy: -190.861
Base-Backbone interact. energy: -0.508
local terms energy: -212.930527
where:
bonds (distance) C4'-P energy: -38.815
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -42.773
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -62.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -472.180461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.180461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.180461 (E_RNA)
where:
Base-Base interactions energy: -305.628
where: short stacking energy: -152.136
Base-Backbone interact. energy: -1.864
local terms energy: -164.688198
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -35.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -514.121020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.121020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.121020 (E_RNA)
where:
Base-Base interactions energy: -321.857
where: short stacking energy: -154.668
Base-Backbone interact. energy: -0.486
local terms energy: -191.777314
where:
bonds (distance) C4'-P energy: -43.684
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -38.417
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: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -450.015732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.015732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.015732 (E_RNA)
where:
Base-Base interactions energy: -267.435
where: short stacking energy: -128.688
Base-Backbone interact. energy: 0.675
local terms energy: -183.255770
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -42.250
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -27.532
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -353.231102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.231102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.231102 (E_RNA)
where:
Base-Base interactions energy: -212.870
where: short stacking energy: -101.651
Base-Backbone interact. energy: 0.139
local terms energy: -140.500356
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -281.372904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.372904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.372904 (E_RNA)
where:
Base-Base interactions energy: -137.459
where: short stacking energy: -86.833
Base-Backbone interact. energy: -1.275
local terms energy: -142.638664
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -194.260944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.260944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.260944 (E_RNA)
where:
Base-Base interactions energy: -80.686
where: short stacking energy: -62.151
Base-Backbone interact. energy: 2.070
local terms energy: -115.645002
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -729.520409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.520409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.520409 (E_RNA)
where:
Base-Base interactions energy: -496.580
where: short stacking energy: -216.251
Base-Backbone interact. energy: -1.358
local terms energy: -231.582874
where:
bonds (distance) C4'-P energy: -35.984
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -47.173
flat angles P-C4'-P energy: -35.045
tors. eta vs tors. theta energy: -67.748
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -665.874078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.874078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.874078 (E_RNA)
where:
Base-Base interactions energy: -444.000
where: short stacking energy: -204.983
Base-Backbone interact. energy: -0.677
local terms energy: -221.197445
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -30.651
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -680.880786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.880786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.880786 (E_RNA)
where:
Base-Base interactions energy: -457.763
where: short stacking energy: -204.318
Base-Backbone interact. energy: -1.328
local terms energy: -221.788927
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -43.415
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -71.155
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: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -643.952086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.952086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.952086 (E_RNA)
where:
Base-Base interactions energy: -429.152
where: short stacking energy: -187.700
Base-Backbone interact. energy: 0.158
local terms energy: -214.957528
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -43.940
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -60.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -504.556451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.556451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.556451 (E_RNA)
where:
Base-Base interactions energy: -296.836
where: short stacking energy: -161.511
Base-Backbone interact. energy: -0.278
local terms energy: -207.442660
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -41.853
flat angles C4'-P-C4' energy: -42.647
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -49.170
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: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -497.346490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.346490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.346490 (E_RNA)
where:
Base-Base interactions energy: -332.432
where: short stacking energy: -137.337
Base-Backbone interact. energy: -1.174
local terms energy: -163.740624
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -42.135
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -28.289
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: 389
Temperature: 1.200000
Total energy: -457.584154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.584154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.584154 (E_RNA)
where:
Base-Base interactions energy: -278.335
where: short stacking energy: -121.878
Base-Backbone interact. energy: -2.140
local terms energy: -177.109487
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -363.051745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.051745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.051745 (E_RNA)
where:
Base-Base interactions energy: -198.025
where: short stacking energy: -108.969
Base-Backbone interact. energy: -0.056
local terms energy: -164.971380
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -265.429456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.429456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.429456 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -76.493
Base-Backbone interact. energy: -1.243
local terms energy: -144.575965
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -41.882
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -206.192462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.192462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.192462 (E_RNA)
where:
Base-Base interactions energy: -89.509
where: short stacking energy: -51.858
Base-Backbone interact. energy: -1.438
local terms energy: -115.245016
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: 3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -737.298677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.298677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.298677 (E_RNA)
where:
Base-Base interactions energy: -497.008
where: short stacking energy: -210.487
Base-Backbone interact. energy: -0.251
local terms energy: -240.039792
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -48.639
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -68.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -664.885022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.885022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.885022 (E_RNA)
where:
Base-Base interactions energy: -438.766
where: short stacking energy: -200.665
Base-Backbone interact. energy: -0.628
local terms energy: -225.491459
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -46.325
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: -56.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -688.843846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.843846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.843846 (E_RNA)
where:
Base-Base interactions energy: -457.777
where: short stacking energy: -209.455
Base-Backbone interact. energy: -0.923
local terms energy: -230.143374
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -68.310
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -607.376434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.376434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.376434 (E_RNA)
where:
Base-Base interactions energy: -399.333
where: short stacking energy: -169.764
Base-Backbone interact. energy: -1.151
local terms energy: -206.892057
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -56.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -524.162845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.162845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.162845 (E_RNA)
where:
Base-Base interactions energy: -352.903
where: short stacking energy: -156.786
Base-Backbone interact. energy: -1.222
local terms energy: -170.038138
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -36.805
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: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -468.376042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.376042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.376042 (E_RNA)
where:
Base-Base interactions energy: -291.755
where: short stacking energy: -137.152
Base-Backbone interact. energy: 1.582
local terms energy: -178.203451
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -32.645
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: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -483.771518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.771518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.771518 (E_RNA)
where:
Base-Base interactions energy: -305.975
where: short stacking energy: -148.682
Base-Backbone interact. energy: -0.315
local terms energy: -177.481423
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -41.476
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -317.060567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.060567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.060567 (E_RNA)
where:
Base-Base interactions energy: -169.121
where: short stacking energy: -94.280
Base-Backbone interact. energy: -0.269
local terms energy: -147.671265
where:
bonds (distance) C4'-P energy: -38.367
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -13.052
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: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -283.040698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.040698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.040698 (E_RNA)
where:
Base-Base interactions energy: -148.457
where: short stacking energy: -81.031
Base-Backbone interact. energy: -0.366
local terms energy: -134.217379
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -181.608504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.608504 (E_RNA)
where:
Base-Base interactions energy: -76.815
where: short stacking energy: -47.514
Base-Backbone interact. energy: 1.176
local terms energy: -105.970421
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: 7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -731.756099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.756099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.756099 (E_RNA)
where:
Base-Base interactions energy: -496.356
where: short stacking energy: -225.610
Base-Backbone interact. energy: -0.014
local terms energy: -235.386112
where:
bonds (distance) C4'-P energy: -45.257
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -46.851
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -68.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -730.719869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.719869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.719869 (E_RNA)
where:
Base-Base interactions energy: -488.421
where: short stacking energy: -225.965
Base-Backbone interact. energy: -0.776
local terms energy: -241.522316
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -51.756
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -78.027
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: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -643.548945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.548945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.548945 (E_RNA)
where:
Base-Base interactions energy: -423.523
where: short stacking energy: -185.198
Base-Backbone interact. energy: -0.298
local terms energy: -219.727665
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -47.682
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -58.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -616.373113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.373113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.373113 (E_RNA)
where:
Base-Base interactions energy: -406.542
where: short stacking energy: -181.027
Base-Backbone interact. energy: 0.062
local terms energy: -209.892797
where:
bonds (distance) C4'-P energy: -37.035
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -44.086
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -51.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -524.912986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.912986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.912986 (E_RNA)
where:
Base-Base interactions energy: -345.214
where: short stacking energy: -160.376
Base-Backbone interact. energy: -0.235
local terms energy: -179.463951
where:
bonds (distance) C4'-P energy: -35.814
bonds (distance) P-C4' energy: -42.505
flat angles C4'-P-C4' energy: -43.251
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -34.076
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: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -577.632240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.632240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.632240 (E_RNA)
where:
Base-Base interactions energy: -365.421
where: short stacking energy: -164.747
Base-Backbone interact. energy: -1.420
local terms energy: -210.791017
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -54.498
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: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -418.068084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.068084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.068084 (E_RNA)
where:
Base-Base interactions energy: -246.492
where: short stacking energy: -119.274
Base-Backbone interact. energy: 1.280
local terms energy: -172.855954
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -40.801
flat angles C4'-P-C4' energy: -45.762
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -27.006
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: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -370.895689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.895689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.895689 (E_RNA)
where:
Base-Base interactions energy: -225.314
where: short stacking energy: -114.061
Base-Backbone interact. energy: 1.402
local terms energy: -146.984511
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -277.574124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.574124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.574124 (E_RNA)
where:
Base-Base interactions energy: -157.075
where: short stacking energy: -85.005
Base-Backbone interact. energy: 1.577
local terms energy: -122.075999
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -37.440
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -177.815310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.815310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.815310 (E_RNA)
where:
Base-Base interactions energy: -59.277
where: short stacking energy: -44.355
Base-Backbone interact. energy: 1.210
local terms energy: -119.748254
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: 3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -722.087758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.087758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.087758 (E_RNA)
where:
Base-Base interactions energy: -489.481
where: short stacking energy: -229.473
Base-Backbone interact. energy: -1.440
local terms energy: -231.166181
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -40.912
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -74.607
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -728.619482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.619482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.619482 (E_RNA)
where:
Base-Base interactions energy: -499.449
where: short stacking energy: -207.050
Base-Backbone interact. energy: -1.467
local terms energy: -227.703670
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -39.841
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -67.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -647.584698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.584698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.584698 (E_RNA)
where:
Base-Base interactions energy: -418.825
where: short stacking energy: -195.178
Base-Backbone interact. energy: 0.186
local terms energy: -228.945197
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -41.575
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -61.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -607.379462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.379462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.379462 (E_RNA)
where:
Base-Base interactions energy: -413.452
where: short stacking energy: -193.929
Base-Backbone interact. energy: -0.088
local terms energy: -193.838575
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -41.523
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -60.929
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -556.080337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.080337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.080337 (E_RNA)
where:
Base-Base interactions energy: -360.136
where: short stacking energy: -164.817
Base-Backbone interact. energy: -0.225
local terms energy: -195.719917
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -43.269
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -49.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -554.346759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.346759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.346759 (E_RNA)
where:
Base-Base interactions energy: -351.000
where: short stacking energy: -167.974
Base-Backbone interact. energy: -0.394
local terms energy: -202.953117
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -45.017
flat angles C4'-P-C4' energy: -44.304
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -46.824
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: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -381.633848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.633848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.633848 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -105.943
Base-Backbone interact. energy: -1.322
local terms energy: -165.821156
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -392.997668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.997668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.997668 (E_RNA)
where:
Base-Base interactions energy: -230.356
where: short stacking energy: -113.119
Base-Backbone interact. energy: -0.924
local terms energy: -161.717723
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -298.681014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.681014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.681014 (E_RNA)
where:
Base-Base interactions energy: -168.245
where: short stacking energy: -108.859
Base-Backbone interact. energy: 0.480
local terms energy: -130.916618
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -186.721616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.721616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.721616 (E_RNA)
where:
Base-Base interactions energy: -71.963
where: short stacking energy: -50.665
Base-Backbone interact. energy: -1.186
local terms energy: -113.573147
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -37.373
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: 4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -722.067626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.067626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.067626 (E_RNA)
where:
Base-Base interactions energy: -471.374
where: short stacking energy: -226.398
Base-Backbone interact. energy: -0.020
local terms energy: -250.673887
where:
bonds (distance) C4'-P energy: -47.966
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -75.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -734.517150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.517150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.517150 (E_RNA)
where:
Base-Base interactions energy: -495.284
where: short stacking energy: -238.484
Base-Backbone interact. energy: -0.785
local terms energy: -238.448550
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -52.476
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -73.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -651.264281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.264281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.264281 (E_RNA)
where:
Base-Base interactions energy: -431.984
where: short stacking energy: -196.406
Base-Backbone interact. energy: 0.050
local terms energy: -219.330883
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -61.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -589.544157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.544157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.544157 (E_RNA)
where:
Base-Base interactions energy: -383.400
where: short stacking energy: -178.814
Base-Backbone interact. energy: -0.320
local terms energy: -205.823810
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -38.020
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -53.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -538.092286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.092286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.092286 (E_RNA)
where:
Base-Base interactions energy: -334.227
where: short stacking energy: -161.300
Base-Backbone interact. energy: -0.183
local terms energy: -203.682461
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -50.118
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -526.712214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.712214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.712214 (E_RNA)
where:
Base-Base interactions energy: -348.710
where: short stacking energy: -147.302
Base-Backbone interact. energy: -1.799
local terms energy: -176.203779
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -44.326
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -27.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -343.121448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.121448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.121448 (E_RNA)
where:
Base-Base interactions energy: -196.539
where: short stacking energy: -98.577
Base-Backbone interact. energy: -0.170
local terms energy: -146.411937
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -35.874
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -414.075267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.075267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.075267 (E_RNA)
where:
Base-Base interactions energy: -251.169
where: short stacking energy: -119.023
Base-Backbone interact. energy: -0.844
local terms energy: -162.061967
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -36.944
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -289.819179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.819179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.819179 (E_RNA)
where:
Base-Base interactions energy: -158.874
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.221
local terms energy: -130.723507
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -191.831530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.831530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.831530 (E_RNA)
where:
Base-Base interactions energy: -71.455
where: short stacking energy: -42.624
Base-Backbone interact. energy: 1.175
local terms energy: -121.551556
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -41.178
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: 7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -729.511956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.511956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.511956 (E_RNA)
where:
Base-Base interactions energy: -496.697
where: short stacking energy: -223.544
Base-Backbone interact. energy: 0.529
local terms energy: -233.343572
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -46.130
flat angles C4'-P-C4' energy: -45.076
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: -65.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -708.681527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.681527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.681527 (E_RNA)
where:
Base-Base interactions energy: -473.099
where: short stacking energy: -216.888
Base-Backbone interact. energy: -1.532
local terms energy: -234.050455
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -71.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -641.516724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.516724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.516724 (E_RNA)
where:
Base-Base interactions energy: -424.570
where: short stacking energy: -195.814
Base-Backbone interact. energy: -0.843
local terms energy: -216.103703
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -61.812
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: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -592.829080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.829080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.829080 (E_RNA)
where:
Base-Base interactions energy: -392.985
where: short stacking energy: -184.252
Base-Backbone interact. energy: -0.006
local terms energy: -199.837805
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -42.587
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -51.249
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: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -513.344589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.344589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.344589 (E_RNA)
where:
Base-Base interactions energy: -333.982
where: short stacking energy: -144.059
Base-Backbone interact. energy: 0.392
local terms energy: -179.754675
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -531.418099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.418099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.418099 (E_RNA)
where:
Base-Base interactions energy: -354.039
where: short stacking energy: -151.858
Base-Backbone interact. energy: -0.342
local terms energy: -177.037059
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -43.147
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -40.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -398.954443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.954443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.954443 (E_RNA)
where:
Base-Base interactions energy: -249.627
where: short stacking energy: -121.582
Base-Backbone interact. energy: -1.127
local terms energy: -148.200987
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -363.985649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.985649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.985649 (E_RNA)
where:
Base-Base interactions energy: -214.032
where: short stacking energy: -99.881
Base-Backbone interact. energy: 4.882
local terms energy: -154.835641
where:
bonds (distance) C4'-P energy: -38.779
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -302.874185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.874185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.874185 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -92.041
Base-Backbone interact. energy: -0.089
local terms energy: -142.763781
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -177.506876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506876 (E_RNA)
where:
Base-Base interactions energy: -55.966
where: short stacking energy: -48.677
Base-Backbone interact. energy: -0.184
local terms energy: -121.357137
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -723.729352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.729352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.729352 (E_RNA)
where:
Base-Base interactions energy: -495.502
where: short stacking energy: -207.659
Base-Backbone interact. energy: -0.607
local terms energy: -227.620928
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -50.877
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -66.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -708.855719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.855719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.855719 (E_RNA)
where:
Base-Base interactions energy: -476.064
where: short stacking energy: -214.118
Base-Backbone interact. energy: -0.086
local terms energy: -232.705499
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -29.665
tors. eta vs tors. theta energy: -71.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -647.642529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.642529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.642529 (E_RNA)
where:
Base-Base interactions energy: -430.024
where: short stacking energy: -193.109
Base-Backbone interact. energy: -0.901
local terms energy: -216.718420
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -65.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -601.055458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.055458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.055458 (E_RNA)
where:
Base-Base interactions energy: -397.286
where: short stacking energy: -190.705
Base-Backbone interact. energy: 0.751
local terms energy: -204.520255
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -54.429
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: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -526.522116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.522116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.522116 (E_RNA)
where:
Base-Base interactions energy: -346.034
where: short stacking energy: -148.807
Base-Backbone interact. energy: 0.250
local terms energy: -180.737879
where:
bonds (distance) C4'-P energy: -40.410
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -43.209
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -30.736
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: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -556.059123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.059123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.059123 (E_RNA)
where:
Base-Base interactions energy: -359.897
where: short stacking energy: -148.812
Base-Backbone interact. energy: -0.605
local terms energy: -195.557314
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -42.677
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -43.644
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: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -415.126070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.126070 (E_RNA)
where:
Base-Base interactions energy: -251.776
where: short stacking energy: -125.778
Base-Backbone interact. energy: 1.745
local terms energy: -165.095140
where:
bonds (distance) C4'-P energy: -39.937
bonds (distance) P-C4' energy: -39.594
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -27.591
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: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -362.202440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.202440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.202440 (E_RNA)
where:
Base-Base interactions energy: -202.746
where: short stacking energy: -102.441
Base-Backbone interact. energy: -1.005
local terms energy: -158.451709
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -299.606333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.606333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.606333 (E_RNA)
where:
Base-Base interactions energy: -159.826
where: short stacking energy: -80.617
Base-Backbone interact. energy: -1.575
local terms energy: -138.205176
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -182.193771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193771 (E_RNA)
where:
Base-Base interactions energy: -56.010
where: short stacking energy: -55.033
Base-Backbone interact. energy: 0.154
local terms energy: -126.338422
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -722.753879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.753879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.753879 (E_RNA)
where:
Base-Base interactions energy: -483.304
where: short stacking energy: -223.191
Base-Backbone interact. energy: -0.205
local terms energy: -239.244381
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -41.076
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -71.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -723.372721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.372721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.372721 (E_RNA)
where:
Base-Base interactions energy: -481.516
where: short stacking energy: -214.742
Base-Backbone interact. energy: -0.594
local terms energy: -241.263192
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -45.439
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -66.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -651.152978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.152978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.152978 (E_RNA)
where:
Base-Base interactions energy: -441.667
where: short stacking energy: -192.916
Base-Backbone interact. energy: -0.992
local terms energy: -208.494362
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -41.070
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -63.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -610.956433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.956433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.956433 (E_RNA)
where:
Base-Base interactions energy: -397.089
where: short stacking energy: -175.124
Base-Backbone interact. energy: -0.593
local terms energy: -213.274201
where:
bonds (distance) C4'-P energy: -35.182
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -44.340
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: -52.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -549.313478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.313478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.313478 (E_RNA)
where:
Base-Base interactions energy: -360.346
where: short stacking energy: -141.618
Base-Backbone interact. energy: -1.314
local terms energy: -187.654241
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -46.353
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -34.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -481.717742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.717742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.717742 (E_RNA)
where:
Base-Base interactions energy: -315.372
where: short stacking energy: -136.055
Base-Backbone interact. energy: 0.968
local terms energy: -167.313159
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -36.830
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -23.082
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: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -416.976770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.976770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.976770 (E_RNA)
where:
Base-Base interactions energy: -261.169
where: short stacking energy: -132.215
Base-Backbone interact. energy: -1.058
local terms energy: -154.749938
where:
bonds (distance) C4'-P energy: -33.656
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -27.433
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -361.291707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.291707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.291707 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -92.724
Base-Backbone interact. energy: -1.242
local terms energy: -144.929156
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -25.086
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: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -275.069661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.069661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.069661 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -72.226
Base-Backbone interact. energy: -1.831
local terms energy: -127.730649
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -201.388726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.388726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.388726 (E_RNA)
where:
Base-Base interactions energy: -70.891
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.016
local terms energy: -130.481612
where:
bonds (distance) C4'-P energy: -26.860
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -729.494428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.494428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.494428 (E_RNA)
where:
Base-Base interactions energy: -475.975
where: short stacking energy: -218.143
Base-Backbone interact. energy: -0.154
local terms energy: -253.365765
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -75.753
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -722.436963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.436963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.436963 (E_RNA)
where:
Base-Base interactions energy: -496.678
where: short stacking energy: -217.404
Base-Backbone interact. energy: -0.890
local terms energy: -224.868379
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -72.286
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -646.260168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.260168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.260168 (E_RNA)
where:
Base-Base interactions energy: -433.172
where: short stacking energy: -187.093
Base-Backbone interact. energy: -0.271
local terms energy: -212.817036
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -51.127
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -59.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -598.883140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.883140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.883140 (E_RNA)
where:
Base-Base interactions energy: -400.842
where: short stacking energy: -169.329
Base-Backbone interact. energy: -0.259
local terms energy: -197.782034
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -42.871
flat angles C4'-P-C4' energy: -37.027
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -52.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -571.589691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.589691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.589691 (E_RNA)
where:
Base-Base interactions energy: -391.868
where: short stacking energy: -170.432
Base-Backbone interact. energy: 0.059
local terms energy: -179.781061
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -40.846
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -489.903109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.903109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.903109 (E_RNA)
where:
Base-Base interactions energy: -312.461
where: short stacking energy: -135.770
Base-Backbone interact. energy: 2.586
local terms energy: -180.028622
where:
bonds (distance) C4'-P energy: -39.687
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -430.091975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.091975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.091975 (E_RNA)
where:
Base-Base interactions energy: -249.129
where: short stacking energy: -114.998
Base-Backbone interact. energy: -0.463
local terms energy: -180.500255
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -45.053
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -29.861
tors. eta vs tors. theta energy: -23.246
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: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -300.431005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.431005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.431005 (E_RNA)
where:
Base-Base interactions energy: -156.249
where: short stacking energy: -97.525
Base-Backbone interact. energy: 0.738
local terms energy: -144.920018
where:
bonds (distance) C4'-P energy: -27.014
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -330.552552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.552552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.552552 (E_RNA)
where:
Base-Base interactions energy: -183.665
where: short stacking energy: -90.395
Base-Backbone interact. energy: 0.087
local terms energy: -146.974004
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -36.083
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -191.725458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.725458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.725458 (E_RNA)
where:
Base-Base interactions energy: -61.982
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.709
local terms energy: -129.034133
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -34.688
flat angles C4'-P-C4' energy: -38.107
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -1.662
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: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -742.445124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.445124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.445124 (E_RNA)
where:
Base-Base interactions energy: -501.762
where: short stacking energy: -220.455
Base-Backbone interact. energy: 0.334
local terms energy: -241.017445
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -36.852
tors. eta vs tors. theta energy: -70.900
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: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -707.451875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.451875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.451875 (E_RNA)
where:
Base-Base interactions energy: -475.442
where: short stacking energy: -229.517
Base-Backbone interact. energy: -0.363
local terms energy: -231.646995
where:
bonds (distance) C4'-P energy: -35.797
bonds (distance) P-C4' energy: -41.182
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -75.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -671.901308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.901308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.901308 (E_RNA)
where:
Base-Base interactions energy: -445.955
where: short stacking energy: -205.944
Base-Backbone interact. energy: -0.844
local terms energy: -225.101679
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -46.399
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -66.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -617.771339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.771339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.771339 (E_RNA)
where:
Base-Base interactions energy: -411.070
where: short stacking energy: -181.385
Base-Backbone interact. energy: -0.548
local terms energy: -206.153108
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -40.757
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -50.953
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -516.183009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.183009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.183009 (E_RNA)
where:
Base-Base interactions energy: -342.942
where: short stacking energy: -135.036
Base-Backbone interact. energy: 1.725
local terms energy: -174.965808
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -40.532
flat angles C4'-P-C4' energy: -39.423
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -34.336
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -487.476584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.476584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.476584 (E_RNA)
where:
Base-Base interactions energy: -324.804
where: short stacking energy: -132.912
Base-Backbone interact. energy: -0.786
local terms energy: -161.886734
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -42.823
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -412.684596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.684596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.684596 (E_RNA)
where:
Base-Base interactions energy: -242.010
where: short stacking energy: -120.233
Base-Backbone interact. energy: -0.796
local terms energy: -169.879076
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -43.176
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -312.873202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.873202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.873202 (E_RNA)
where:
Base-Base interactions energy: -184.701
where: short stacking energy: -94.382
Base-Backbone interact. energy: 2.780
local terms energy: -130.952361
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -318.651629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.651629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.651629 (E_RNA)
where:
Base-Base interactions energy: -187.663
where: short stacking energy: -91.802
Base-Backbone interact. energy: -0.163
local terms energy: -130.825812
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -166.481667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.481667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.481667 (E_RNA)
where:
Base-Base interactions energy: -51.991
where: short stacking energy: -41.489
Base-Backbone interact. energy: 0.257
local terms energy: -114.747393
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -42.839
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: 13.416
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: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -737.967135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.967135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.967135 (E_RNA)
where:
Base-Base interactions energy: -499.857
where: short stacking energy: -220.831
Base-Backbone interact. energy: -0.135
local terms energy: -237.974906
where:
bonds (distance) C4'-P energy: -44.563
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -68.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -697.445502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.445502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.445502 (E_RNA)
where:
Base-Base interactions energy: -473.783
where: short stacking energy: -215.465
Base-Backbone interact. energy: -1.164
local terms energy: -222.498939
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -68.979
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: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -658.087935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.087935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.087935 (E_RNA)
where:
Base-Base interactions energy: -438.058
where: short stacking energy: -209.220
Base-Backbone interact. energy: -0.136
local terms energy: -219.894249
where:
bonds (distance) C4'-P energy: -41.163
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: -63.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -603.416605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.416605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.416605 (E_RNA)
where:
Base-Base interactions energy: -395.750
where: short stacking energy: -174.070
Base-Backbone interact. energy: -2.894
local terms energy: -204.772813
where:
bonds (distance) C4'-P energy: -36.413
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -53.007
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: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -537.757027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.757027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.757027 (E_RNA)
where:
Base-Base interactions energy: -351.852
where: short stacking energy: -156.008
Base-Backbone interact. energy: -0.427
local terms energy: -185.478419
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -33.694
flat angles C4'-P-C4' energy: -40.135
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -426.782917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.782917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.782917 (E_RNA)
where:
Base-Base interactions energy: -268.404
where: short stacking energy: -111.764
Base-Backbone interact. energy: -0.312
local terms energy: -158.067044
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -469.178553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.178553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.178553 (E_RNA)
where:
Base-Base interactions energy: -292.676
where: short stacking energy: -122.297
Base-Backbone interact. energy: -0.678
local terms energy: -175.824542
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -29.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -324.221461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.221461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.221461 (E_RNA)
where:
Base-Base interactions energy: -188.063
where: short stacking energy: -85.821
Base-Backbone interact. energy: -1.296
local terms energy: -134.862380
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -316.629641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.629641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.629641 (E_RNA)
where:
Base-Base interactions energy: -185.720
where: short stacking energy: -82.870
Base-Backbone interact. energy: -1.417
local terms energy: -129.492376
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -192.743913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.743913 (E_RNA)
where:
Base-Base interactions energy: -71.287
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.879
local terms energy: -120.577605
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -751.754265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.754265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.754265 (E_RNA)
where:
Base-Base interactions energy: -513.308
where: short stacking energy: -221.369
Base-Backbone interact. energy: -0.058
local terms energy: -238.388358
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: -71.007
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -714.798283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.798283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.798283 (E_RNA)
where:
Base-Base interactions energy: -473.661
where: short stacking energy: -216.853
Base-Backbone interact. energy: -0.312
local terms energy: -240.825369
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -45.798
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -73.842
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: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -647.894239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.894239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.894239 (E_RNA)
where:
Base-Base interactions energy: -431.056
where: short stacking energy: -182.741
Base-Backbone interact. energy: -1.304
local terms energy: -215.534563
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: -61.265
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -593.309482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.309482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.309482 (E_RNA)
where:
Base-Base interactions energy: -386.730
where: short stacking energy: -186.709
Base-Backbone interact. energy: -0.304
local terms energy: -206.274792
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -43.103
flat angles P-C4'-P energy: -39.826
tors. eta vs tors. theta energy: -54.215
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -496.693997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.693997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.693997 (E_RNA)
where:
Base-Base interactions energy: -310.267
where: short stacking energy: -154.857
Base-Backbone interact. energy: -0.333
local terms energy: -186.093415
where:
bonds (distance) C4'-P energy: -38.616
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -46.291
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: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -548.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.148805 (E_RNA)
where:
Base-Base interactions energy: -354.959
where: short stacking energy: -157.200
Base-Backbone interact. energy: -1.337
local terms energy: -191.852032
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -40.230
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -474.073378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.073378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.073378 (E_RNA)
where:
Base-Base interactions energy: -307.524
where: short stacking energy: -140.654
Base-Backbone interact. energy: -0.895
local terms energy: -165.654846
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -31.033
tors. eta vs tors. theta energy: -33.175
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: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -332.735879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.735879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.735879 (E_RNA)
where:
Base-Base interactions energy: -180.066
where: short stacking energy: -98.397
Base-Backbone interact. energy: 3.449
local terms energy: -156.118307
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -284.524419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.524419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.524419 (E_RNA)
where:
Base-Base interactions energy: -152.746
where: short stacking energy: -97.081
Base-Backbone interact. energy: -0.373
local terms energy: -131.405655
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -20.607
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: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -175.554207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.554207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.554207 (E_RNA)
where:
Base-Base interactions energy: -60.161
where: short stacking energy: -43.646
Base-Backbone interact. energy: -0.447
local terms energy: -114.946431
where:
bonds (distance) C4'-P energy: -29.420
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: 3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -746.189397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.189397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.189397 (E_RNA)
where:
Base-Base interactions energy: -508.878
where: short stacking energy: -228.330
Base-Backbone interact. energy: 0.405
local terms energy: -237.716459
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -46.066
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -74.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -698.006475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.006475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.006475 (E_RNA)
where:
Base-Base interactions energy: -463.352
where: short stacking energy: -227.485
Base-Backbone interact. energy: -0.687
local terms energy: -233.967621
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -72.212
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: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -643.361505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.361505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.361505 (E_RNA)
where:
Base-Base interactions energy: -429.261
where: short stacking energy: -193.452
Base-Backbone interact. energy: 0.482
local terms energy: -214.582961
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -59.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -603.429183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.429183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.429183 (E_RNA)
where:
Base-Base interactions energy: -393.369
where: short stacking energy: -188.703
Base-Backbone interact. energy: -0.553
local terms energy: -209.507448
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -44.301
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -58.807
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -497.358898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.358898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.358898 (E_RNA)
where:
Base-Base interactions energy: -320.248
where: short stacking energy: -152.794
Base-Backbone interact. energy: -0.855
local terms energy: -176.256210
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -40.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -563.441950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.441950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.441950 (E_RNA)
where:
Base-Base interactions energy: -366.598
where: short stacking energy: -172.765
Base-Backbone interact. energy: -0.855
local terms energy: -195.988920
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -31.686
tors. eta vs tors. theta energy: -51.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -475.456045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.456045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.456045 (E_RNA)
where:
Base-Base interactions energy: -310.861
where: short stacking energy: -133.735
Base-Backbone interact. energy: -1.610
local terms energy: -162.984873
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -41.023
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -21.122
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: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -314.621294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.621294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.621294 (E_RNA)
where:
Base-Base interactions energy: -169.434
where: short stacking energy: -95.109
Base-Backbone interact. energy: -0.668
local terms energy: -144.519497
where:
bonds (distance) C4'-P energy: -43.151
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -9.953
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -351.246192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.246192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.246192 (E_RNA)
where:
Base-Base interactions energy: -190.936
where: short stacking energy: -102.420
Base-Backbone interact. energy: -1.498
local terms energy: -158.812237
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -212.068372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.068372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.068372 (E_RNA)
where:
Base-Base interactions energy: -87.735
where: short stacking energy: -62.395
Base-Backbone interact. energy: -1.757
local terms energy: -122.575771
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -754.926710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.926710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.926710 (E_RNA)
where:
Base-Base interactions energy: -507.906
where: short stacking energy: -224.638
Base-Backbone interact. energy: -0.306
local terms energy: -246.715306
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -74.065
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: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -705.141123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.141123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.141123 (E_RNA)
where:
Base-Base interactions energy: -455.299
where: short stacking energy: -221.738
Base-Backbone interact. energy: -0.283
local terms energy: -249.559302
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -49.355
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -73.443
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: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -651.353615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.353615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.353615 (E_RNA)
where:
Base-Base interactions energy: -422.253
where: short stacking energy: -195.170
Base-Backbone interact. energy: -0.086
local terms energy: -229.014562
where:
bonds (distance) C4'-P energy: -42.660
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -58.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -613.885611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.885611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.885611 (E_RNA)
where:
Base-Base interactions energy: -393.593
where: short stacking energy: -196.886
Base-Backbone interact. energy: -0.269
local terms energy: -220.023651
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -47.976
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -57.312
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -554.778130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.778130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.778130 (E_RNA)
where:
Base-Base interactions energy: -370.943
where: short stacking energy: -163.080
Base-Backbone interact. energy: 1.687
local terms energy: -185.521473
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -41.095
flat angles C4'-P-C4' energy: -39.603
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -44.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -469.192323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.192323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.192323 (E_RNA)
where:
Base-Base interactions energy: -287.991
where: short stacking energy: -141.528
Base-Backbone interact. energy: 0.575
local terms energy: -181.777103
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -475.097382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.097382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.097382 (E_RNA)
where:
Base-Base interactions energy: -306.988
where: short stacking energy: -134.995
Base-Backbone interact. energy: -0.348
local terms energy: -167.761503
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -39.361
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -31.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -285.551940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.551940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.551940 (E_RNA)
where:
Base-Base interactions energy: -133.732
where: short stacking energy: -69.011
Base-Backbone interact. energy: -1.460
local terms energy: -150.359764
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -364.818435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.818435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.818435 (E_RNA)
where:
Base-Base interactions energy: -214.671
where: short stacking energy: -107.391
Base-Backbone interact. energy: -0.626
local terms energy: -149.521666
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -180.161880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.161880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.161880 (E_RNA)
where:
Base-Base interactions energy: -62.723
where: short stacking energy: -57.818
Base-Backbone interact. energy: -1.250
local terms energy: -116.188811
where:
bonds (distance) C4'-P energy: -39.931
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -770.231362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.231362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.231362 (E_RNA)
where:
Base-Base interactions energy: -528.942
where: short stacking energy: -240.641
Base-Backbone interact. energy: -0.736
local terms energy: -240.553882
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -50.119
flat angles P-C4'-P energy: -30.988
tors. eta vs tors. theta energy: -74.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -692.199250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.199250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.199250 (E_RNA)
where:
Base-Base interactions energy: -452.878
where: short stacking energy: -196.382
Base-Backbone interact. energy: -1.127
local terms energy: -238.194049
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -47.712
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -69.054
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: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -647.210432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.210432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.210432 (E_RNA)
where:
Base-Base interactions energy: -427.459
where: short stacking energy: -174.298
Base-Backbone interact. energy: -0.825
local terms energy: -218.926709
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -34.438
tors. eta vs tors. theta energy: -53.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -600.576676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.576676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.576676 (E_RNA)
where:
Base-Base interactions energy: -401.659
where: short stacking energy: -192.033
Base-Backbone interact. energy: -0.138
local terms energy: -198.779850
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -41.682
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -51.649
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -541.737655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.737655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.737655 (E_RNA)
where:
Base-Base interactions energy: -366.720
where: short stacking energy: -168.368
Base-Backbone interact. energy: 0.163
local terms energy: -175.180602
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -37.803
flat angles C4'-P-C4' energy: -38.335
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -38.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -496.017535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.017535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.017535 (E_RNA)
where:
Base-Base interactions energy: -310.750
where: short stacking energy: -139.361
Base-Backbone interact. energy: 3.411
local terms energy: -188.678627
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -50.069
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -32.543
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: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -442.458228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.458228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.458228 (E_RNA)
where:
Base-Base interactions energy: -256.589
where: short stacking energy: -120.492
Base-Backbone interact. energy: -0.765
local terms energy: -185.104000
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: -33.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -372.524640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.524640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.524640 (E_RNA)
where:
Base-Base interactions energy: -224.810
where: short stacking energy: -124.250
Base-Backbone interact. energy: -0.375
local terms energy: -147.339348
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -23.366
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: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -305.153700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.153700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.153700 (E_RNA)
where:
Base-Base interactions energy: -161.024
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.936
local terms energy: -143.194420
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -16.964
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: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -187.480700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480700 (E_RNA)
where:
Base-Base interactions energy: -59.066
where: short stacking energy: -47.828
Base-Backbone interact. energy: -2.005
local terms energy: -126.409254
where:
bonds (distance) C4'-P energy: -42.852
bonds (distance) P-C4' energy: -38.693
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -738.805202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.805202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.805202 (E_RNA)
where:
Base-Base interactions energy: -496.977
where: short stacking energy: -225.332
Base-Backbone interact. energy: -0.492
local terms energy: -241.336433
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -73.793
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: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -695.963210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.963210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.963210 (E_RNA)
where:
Base-Base interactions energy: -471.902
where: short stacking energy: -213.953
Base-Backbone interact. energy: -0.947
local terms energy: -223.114038
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -48.055
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -71.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -645.408010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.408010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.408010 (E_RNA)
where:
Base-Base interactions energy: -434.519
where: short stacking energy: -196.107
Base-Backbone interact. energy: -0.125
local terms energy: -210.764143
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -45.610
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -61.507
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: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -585.941858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.941858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.941858 (E_RNA)
where:
Base-Base interactions energy: -378.888
where: short stacking energy: -178.503
Base-Backbone interact. energy: -0.432
local terms energy: -206.621951
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -43.428
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -54.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -523.188216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.188216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.188216 (E_RNA)
where:
Base-Base interactions energy: -331.131
where: short stacking energy: -144.871
Base-Backbone interact. energy: -0.410
local terms energy: -191.646447
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -46.746
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -36.149
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -551.186647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.186647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.186647 (E_RNA)
where:
Base-Base interactions energy: -360.916
where: short stacking energy: -158.241
Base-Backbone interact. energy: -0.147
local terms energy: -190.124125
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -36.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -465.057050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.057050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.057050 (E_RNA)
where:
Base-Base interactions energy: -280.359
where: short stacking energy: -129.755
Base-Backbone interact. energy: -0.979
local terms energy: -183.719208
where:
bonds (distance) C4'-P energy: -36.600
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -41.574
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -360.111457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.111457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.111457 (E_RNA)
where:
Base-Base interactions energy: -205.353
where: short stacking energy: -106.084
Base-Backbone interact. energy: -0.386
local terms energy: -154.372361
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -282.209467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.209467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.209467 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -81.881
Base-Backbone interact. energy: 1.270
local terms energy: -135.463881
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -6.462
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: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -176.551415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.551415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.551415 (E_RNA)
where:
Base-Base interactions energy: -56.027
where: short stacking energy: -47.066
Base-Backbone interact. energy: -1.064
local terms energy: -119.459913
where:
bonds (distance) C4'-P energy: -36.305
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: 5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -744.182501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.182501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.182501 (E_RNA)
where:
Base-Base interactions energy: -500.061
where: short stacking energy: -226.759
Base-Backbone interact. energy: -0.875
local terms energy: -243.246089
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -66.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -702.644037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.644037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.644037 (E_RNA)
where:
Base-Base interactions energy: -471.614
where: short stacking energy: -217.771
Base-Backbone interact. energy: 0.914
local terms energy: -231.943372
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -48.321
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -71.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -635.496506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.496506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.496506 (E_RNA)
where:
Base-Base interactions energy: -424.237
where: short stacking energy: -197.547
Base-Backbone interact. energy: -0.572
local terms energy: -210.686881
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -32.246
tors. eta vs tors. theta energy: -58.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -584.982199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.982199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.982199 (E_RNA)
where:
Base-Base interactions energy: -387.216
where: short stacking energy: -181.218
Base-Backbone interact. energy: -0.316
local terms energy: -197.449681
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -38.485
flat angles C4'-P-C4' energy: -46.247
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -54.679
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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -502.118587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.118587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.118587 (E_RNA)
where:
Base-Base interactions energy: -315.812
where: short stacking energy: -144.282
Base-Backbone interact. energy: -1.762
local terms energy: -184.543840
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -40.320
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -38.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -559.291964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.291964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.291964 (E_RNA)
where:
Base-Base interactions energy: -370.501
where: short stacking energy: -159.079
Base-Backbone interact. energy: -0.847
local terms energy: -187.943989
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -49.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -447.580762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.580762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.580762 (E_RNA)
where:
Base-Base interactions energy: -282.152
where: short stacking energy: -139.655
Base-Backbone interact. energy: -1.047
local terms energy: -164.382047
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -25.365
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: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -374.207187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.207187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.207187 (E_RNA)
where:
Base-Base interactions energy: -227.622
where: short stacking energy: -114.805
Base-Backbone interact. energy: -0.669
local terms energy: -145.915476
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -25.276
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -271.419941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.419941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.419941 (E_RNA)
where:
Base-Base interactions energy: -124.988
where: short stacking energy: -79.878
Base-Backbone interact. energy: -0.458
local terms energy: -145.974172
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -40.745
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -182.292597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.292597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.292597 (E_RNA)
where:
Base-Base interactions energy: -76.766
where: short stacking energy: -56.471
Base-Backbone interact. energy: -1.537
local terms energy: -103.988842
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -751.800422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.800422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.800422 (E_RNA)
where:
Base-Base interactions energy: -497.977
where: short stacking energy: -230.299
Base-Backbone interact. energy: -0.634
local terms energy: -253.189023
where:
bonds (distance) C4'-P energy: -44.985
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -75.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -713.849114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.849114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.849114 (E_RNA)
where:
Base-Base interactions energy: -471.704
where: short stacking energy: -217.540
Base-Backbone interact. energy: -0.340
local terms energy: -241.805496
where:
bonds (distance) C4'-P energy: -47.669
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -49.893
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -69.693
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: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -662.455331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.455331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.455331 (E_RNA)
where:
Base-Base interactions energy: -445.840
where: short stacking energy: -196.939
Base-Backbone interact. energy: -0.476
local terms energy: -216.139937
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -45.153
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -70.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -590.003012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.003012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.003012 (E_RNA)
where:
Base-Base interactions energy: -382.427
where: short stacking energy: -174.934
Base-Backbone interact. energy: -1.398
local terms energy: -206.177779
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -48.234
flat angles P-C4'-P energy: -37.311
tors. eta vs tors. theta energy: -49.346
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: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -564.742609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.742609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.742609 (E_RNA)
where:
Base-Base interactions energy: -378.191
where: short stacking energy: -167.519
Base-Backbone interact. energy: -0.684
local terms energy: -185.867024
where:
bonds (distance) C4'-P energy: -33.953
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -38.360
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -49.320
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: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -513.640083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.640083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.640083 (E_RNA)
where:
Base-Base interactions energy: -328.570
where: short stacking energy: -147.189
Base-Backbone interact. energy: -0.169
local terms energy: -184.901249
where:
bonds (distance) C4'-P energy: -33.003
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -42.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -444.996589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.996589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.996589 (E_RNA)
where:
Base-Base interactions energy: -260.101
where: short stacking energy: -115.741
Base-Backbone interact. energy: -0.246
local terms energy: -184.649913
where:
bonds (distance) C4'-P energy: -45.311
bonds (distance) P-C4' energy: -41.220
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -36.454
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -356.763116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.763116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.763116 (E_RNA)
where:
Base-Base interactions energy: -204.555
where: short stacking energy: -107.706
Base-Backbone interact. energy: -0.604
local terms energy: -151.604890
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -34.353
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -254.143111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.143111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.143111 (E_RNA)
where:
Base-Base interactions energy: -108.131
where: short stacking energy: -57.031
Base-Backbone interact. energy: 1.496
local terms energy: -147.508386
where:
bonds (distance) C4'-P energy: -36.487
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -36.675
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -224.329101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.329101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.329101 (E_RNA)
where:
Base-Base interactions energy: -111.987
where: short stacking energy: -68.241
Base-Backbone interact. energy: 2.704
local terms energy: -115.045608
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: 7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -741.141871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.141871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.141871 (E_RNA)
where:
Base-Base interactions energy: -488.263
where: short stacking energy: -228.491
Base-Backbone interact. energy: -1.581
local terms energy: -251.297262
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -50.470
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: -74.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -719.106908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.106908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.106908 (E_RNA)
where:
Base-Base interactions energy: -483.659
where: short stacking energy: -224.356
Base-Backbone interact. energy: -0.122
local terms energy: -235.325961
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -41.699
flat angles C4'-P-C4' energy: -49.446
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: -69.381
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -654.673420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.673420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.673420 (E_RNA)
where:
Base-Base interactions energy: -429.195
where: short stacking energy: -192.037
Base-Backbone interact. energy: -0.796
local terms energy: -224.683197
where:
bonds (distance) C4'-P energy: -43.975
bonds (distance) P-C4' energy: -39.391
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -30.431
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: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -593.641968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.641968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.641968 (E_RNA)
where:
Base-Base interactions energy: -385.854
where: short stacking energy: -181.637
Base-Backbone interact. energy: 0.483
local terms energy: -208.270553
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -54.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -533.139998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.139998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.139998 (E_RNA)
where:
Base-Base interactions energy: -336.724
where: short stacking energy: -157.142
Base-Backbone interact. energy: -0.514
local terms energy: -195.902353
where:
bonds (distance) C4'-P energy: -38.038
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -46.276
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -50.989
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: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -516.521308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.521308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.521308 (E_RNA)
where:
Base-Base interactions energy: -354.282
where: short stacking energy: -153.589
Base-Backbone interact. energy: -0.589
local terms energy: -161.649598
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -35.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -460.441539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.441539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.441539 (E_RNA)
where:
Base-Base interactions energy: -312.191
where: short stacking energy: -135.535
Base-Backbone interact. energy: 0.246
local terms energy: -148.497084
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -25.743
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: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -251.726783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.726783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.726783 (E_RNA)
where:
Base-Base interactions energy: -110.095
where: short stacking energy: -74.643
Base-Backbone interact. energy: -0.607
local terms energy: -141.024847
where:
bonds (distance) C4'-P energy: -45.514
bonds (distance) P-C4' energy: -39.876
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -335.300973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.300973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.300973 (E_RNA)
where:
Base-Base interactions energy: -190.743
where: short stacking energy: -98.297
Base-Backbone interact. energy: -1.276
local terms energy: -143.282196
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -253.644460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.644460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.644460 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -62.969
Base-Backbone interact. energy: 0.014
local terms energy: -124.329804
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -734.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.989724 (E_RNA)
where:
Base-Base interactions energy: -499.925
where: short stacking energy: -223.996
Base-Backbone interact. energy: -0.267
local terms energy: -234.798300
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -30.677
tors. eta vs tors. theta energy: -69.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -685.476037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.476037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.476037 (E_RNA)
where:
Base-Base interactions energy: -457.231
where: short stacking energy: -209.313
Base-Backbone interact. energy: -0.931
local terms energy: -227.313687
where:
bonds (distance) C4'-P energy: -42.181
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -67.161
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -611.393545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.393545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.393545 (E_RNA)
where:
Base-Base interactions energy: -397.357
where: short stacking energy: -192.730
Base-Backbone interact. energy: 0.761
local terms energy: -214.797314
where:
bonds (distance) C4'-P energy: -41.025
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -57.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -666.332711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.332711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.332711 (E_RNA)
where:
Base-Base interactions energy: -436.274
where: short stacking energy: -205.445
Base-Backbone interact. energy: -1.045
local terms energy: -229.014311
where:
bonds (distance) C4'-P energy: -43.696
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -66.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -540.076381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.076381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.076381 (E_RNA)
where:
Base-Base interactions energy: -362.395
where: short stacking energy: -154.332
Base-Backbone interact. energy: -0.319
local terms energy: -177.362149
where:
bonds (distance) C4'-P energy: -40.144
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -561.480536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.480536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.480536 (E_RNA)
where:
Base-Base interactions energy: -359.600
where: short stacking energy: -162.940
Base-Backbone interact. energy: -0.357
local terms energy: -201.523383
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -41.085
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -36.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -468.969454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.969454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.969454 (E_RNA)
where:
Base-Base interactions energy: -303.948
where: short stacking energy: -148.130
Base-Backbone interact. energy: -1.234
local terms energy: -163.786742
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -39.084
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -264.114603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.114603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.114603 (E_RNA)
where:
Base-Base interactions energy: -123.184
where: short stacking energy: -81.655
Base-Backbone interact. energy: -0.617
local terms energy: -140.312935
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -43.602
flat angles C4'-P-C4' energy: -41.187
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -339.014633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.014633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.014633 (E_RNA)
where:
Base-Base interactions energy: -198.168
where: short stacking energy: -102.455
Base-Backbone interact. energy: -0.609
local terms energy: -140.237547
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -35.739
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -257.131265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.131265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.131265 (E_RNA)
where:
Base-Base interactions energy: -134.886
where: short stacking energy: -68.694
Base-Backbone interact. energy: 3.615
local terms energy: -125.860942
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -736.775341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.775341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.775341 (E_RNA)
where:
Base-Base interactions energy: -501.422
where: short stacking energy: -227.142
Base-Backbone interact. energy: -2.723
local terms energy: -232.630590
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -49.524
flat angles P-C4'-P energy: -37.430
tors. eta vs tors. theta energy: -66.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -687.169070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.169070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.169070 (E_RNA)
where:
Base-Base interactions energy: -451.876
where: short stacking energy: -207.767
Base-Backbone interact. energy: -0.971
local terms energy: -234.322221
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -69.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -634.566435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.566435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.566435 (E_RNA)
where:
Base-Base interactions energy: -408.200
where: short stacking energy: -204.391
Base-Backbone interact. energy: 0.626
local terms energy: -226.991873
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -50.863
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -61.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -663.078329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.078329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.078329 (E_RNA)
where:
Base-Base interactions energy: -447.881
where: short stacking energy: -202.785
Base-Backbone interact. energy: 0.352
local terms energy: -215.548879
where:
bonds (distance) C4'-P energy: -45.567
bonds (distance) P-C4' energy: -43.549
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -63.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -586.037481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.037481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.037481 (E_RNA)
where:
Base-Base interactions energy: -394.496
where: short stacking energy: -175.170
Base-Backbone interact. energy: -0.113
local terms energy: -191.428429
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -44.547
flat angles P-C4'-P energy: -28.727
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: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -514.598226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.598226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.598226 (E_RNA)
where:
Base-Base interactions energy: -328.304
where: short stacking energy: -158.789
Base-Backbone interact. energy: -1.373
local terms energy: -184.921622
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -37.675
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: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -457.830771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.830771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.830771 (E_RNA)
where:
Base-Base interactions energy: -279.030
where: short stacking energy: -139.766
Base-Backbone interact. energy: -0.760
local terms energy: -178.040091
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -354.064189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.064189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.064189 (E_RNA)
where:
Base-Base interactions energy: -204.811
where: short stacking energy: -108.356
Base-Backbone interact. energy: -0.727
local terms energy: -148.526185
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -14.788
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: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -269.768234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.768234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.768234 (E_RNA)
where:
Base-Base interactions energy: -146.722
where: short stacking energy: -84.594
Base-Backbone interact. energy: 0.589
local terms energy: -123.635386
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -237.689994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.689994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.689994 (E_RNA)
where:
Base-Base interactions energy: -104.094
where: short stacking energy: -56.072
Base-Backbone interact. energy: 1.661
local terms energy: -135.257183
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -40.308
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -3.397
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: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -737.567371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.567371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.567371 (E_RNA)
where:
Base-Base interactions energy: -515.194
where: short stacking energy: -229.405
Base-Backbone interact. energy: 1.258
local terms energy: -223.632254
where:
bonds (distance) C4'-P energy: -31.937
bonds (distance) P-C4' energy: -46.177
flat angles C4'-P-C4' energy: -43.118
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: -76.532
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: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -689.912599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.912599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.912599 (E_RNA)
where:
Base-Base interactions energy: -458.835
where: short stacking energy: -211.984
Base-Backbone interact. energy: 0.946
local terms energy: -232.023042
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -46.560
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -68.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -683.664136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.664136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.664136 (E_RNA)
where:
Base-Base interactions energy: -460.415
where: short stacking energy: -204.578
Base-Backbone interact. energy: -0.761
local terms energy: -222.488013
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -65.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -607.216459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.216459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.216459 (E_RNA)
where:
Base-Base interactions energy: -403.698
where: short stacking energy: -198.925
Base-Backbone interact. energy: -0.146
local terms energy: -203.372688
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -64.673
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -567.000992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.000992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.000992 (E_RNA)
where:
Base-Base interactions energy: -378.436
where: short stacking energy: -170.662
Base-Backbone interact. energy: -0.117
local terms energy: -188.448435
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -49.643
flat angles C4'-P-C4' energy: -48.444
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -42.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -513.830253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.830253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.830253 (E_RNA)
where:
Base-Base interactions energy: -336.556
where: short stacking energy: -147.909
Base-Backbone interact. energy: -2.055
local terms energy: -175.219069
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -38.553
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: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -477.994962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.994962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.994962 (E_RNA)
where:
Base-Base interactions energy: -307.646
where: short stacking energy: -151.940
Base-Backbone interact. energy: -0.321
local terms energy: -170.028050
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -42.218
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: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -352.967248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.967248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.967248 (E_RNA)
where:
Base-Base interactions energy: -208.569
where: short stacking energy: -111.945
Base-Backbone interact. energy: -0.779
local terms energy: -143.619186
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -23.842
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -253.400129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.400129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.400129 (E_RNA)
where:
Base-Base interactions energy: -116.930
where: short stacking energy: -70.568
Base-Backbone interact. energy: 1.495
local terms energy: -137.965034
where:
bonds (distance) C4'-P energy: -39.792
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -257.945312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.945312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.945312 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.366
local terms energy: -131.825169
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -739.265678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.265678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.265678 (E_RNA)
where:
Base-Base interactions energy: -508.293
where: short stacking energy: -220.681
Base-Backbone interact. energy: -0.526
local terms energy: -230.446194
where:
bonds (distance) C4'-P energy: -37.125
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -39.812
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -71.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -708.402439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.402439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.402439 (E_RNA)
where:
Base-Base interactions energy: -467.250
where: short stacking energy: -209.732
Base-Backbone interact. energy: -0.011
local terms energy: -241.141995
where:
bonds (distance) C4'-P energy: -44.971
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -70.603
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: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -688.711373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.711373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.711373 (E_RNA)
where:
Base-Base interactions energy: -462.669
where: short stacking energy: -218.348
Base-Backbone interact. energy: 0.288
local terms energy: -226.330092
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -42.376
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -68.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -605.263966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.263966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.263966 (E_RNA)
where:
Base-Base interactions energy: -411.590
where: short stacking energy: -193.823
Base-Backbone interact. energy: -1.782
local terms energy: -191.892087
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -48.994
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: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -580.870674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.870674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.870674 (E_RNA)
where:
Base-Base interactions energy: -377.531
where: short stacking energy: -170.595
Base-Backbone interact. energy: -1.067
local terms energy: -202.272669
where:
bonds (distance) C4'-P energy: -33.445
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -52.485
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: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -513.446163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.446163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.446163 (E_RNA)
where:
Base-Base interactions energy: -351.642
where: short stacking energy: -156.524
Base-Backbone interact. energy: -0.711
local terms energy: -161.093714
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -43.245
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -438.066280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.066280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.066280 (E_RNA)
where:
Base-Base interactions energy: -270.389
where: short stacking energy: -124.852
Base-Backbone interact. energy: -0.459
local terms energy: -167.218723
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -35.165
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -25.931
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: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -379.325805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.325805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.325805 (E_RNA)
where:
Base-Base interactions energy: -213.376
where: short stacking energy: -97.664
Base-Backbone interact. energy: -1.412
local terms energy: -164.537364
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -39.896
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -285.369882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.369882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.369882 (E_RNA)
where:
Base-Base interactions energy: -156.152
where: short stacking energy: -76.927
Base-Backbone interact. energy: -0.459
local terms energy: -128.759084
where:
bonds (distance) C4'-P energy: -32.602
bonds (distance) P-C4' energy: -32.797
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -248.834466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.834466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.834466 (E_RNA)
where:
Base-Base interactions energy: -108.928
where: short stacking energy: -54.885
Base-Backbone interact. energy: -1.239
local terms energy: -138.667395
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -733.864013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.864013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.864013 (E_RNA)
where:
Base-Base interactions energy: -501.245
where: short stacking energy: -229.794
Base-Backbone interact. energy: -0.080
local terms energy: -232.538304
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -49.688
flat angles P-C4'-P energy: -34.270
tors. eta vs tors. theta energy: -71.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -698.830032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.830032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.830032 (E_RNA)
where:
Base-Base interactions energy: -474.521
where: short stacking energy: -220.320
Base-Backbone interact. energy: -0.023
local terms energy: -224.285251
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -45.271
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -71.488
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -699.266895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.266895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.266895 (E_RNA)
where:
Base-Base interactions energy: -474.051
where: short stacking energy: -219.553
Base-Backbone interact. energy: -0.088
local terms energy: -225.127988
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -39.456
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -74.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -592.983703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.983703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.983703 (E_RNA)
where:
Base-Base interactions energy: -385.712
where: short stacking energy: -166.325
Base-Backbone interact. energy: -0.044
local terms energy: -207.227168
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -43.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -591.252084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.252084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.252084 (E_RNA)
where:
Base-Base interactions energy: -387.545
where: short stacking energy: -188.516
Base-Backbone interact. energy: 2.275
local terms energy: -205.982232
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -41.438
flat angles C4'-P-C4' energy: -46.247
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -57.177
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -515.812684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.812684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.812684 (E_RNA)
where:
Base-Base interactions energy: -340.895
where: short stacking energy: -142.583
Base-Backbone interact. energy: 1.218
local terms energy: -176.136119
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -37.756
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -37.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -420.351907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.351907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.351907 (E_RNA)
where:
Base-Base interactions energy: -244.170
where: short stacking energy: -102.438
Base-Backbone interact. energy: 0.527
local terms energy: -176.708110
where:
bonds (distance) C4'-P energy: -44.072
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -13.350
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: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -404.312657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.312657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.312657 (E_RNA)
where:
Base-Base interactions energy: -243.172
where: short stacking energy: -104.155
Base-Backbone interact. energy: 1.278
local terms energy: -162.418987
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -47.736
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -284.532123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.532123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.532123 (E_RNA)
where:
Base-Base interactions energy: -144.709
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.584
local terms energy: -139.238376
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -45.724
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -266.858394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.858394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.858394 (E_RNA)
where:
Base-Base interactions energy: -148.140
where: short stacking energy: -73.974
Base-Backbone interact. energy: 0.388
local terms energy: -119.106282
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -36.225
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -736.041930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.041930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.041930 (E_RNA)
where:
Base-Base interactions energy: -507.161
where: short stacking energy: -229.646
Base-Backbone interact. energy: -1.062
local terms energy: -227.818972
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -36.981
tors. eta vs tors. theta energy: -67.729
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: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -694.148073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.148073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.148073 (E_RNA)
where:
Base-Base interactions energy: -473.351
where: short stacking energy: -216.123
Base-Backbone interact. energy: -1.108
local terms energy: -219.689649
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -38.271
flat angles C4'-P-C4' energy: -44.854
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -73.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -678.100027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.100027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.100027 (E_RNA)
where:
Base-Base interactions energy: -455.458
where: short stacking energy: -207.611
Base-Backbone interact. energy: -0.046
local terms energy: -222.596426
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -37.828
flat angles C4'-P-C4' energy: -46.178
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: -67.810
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: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -606.541917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.541917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.541917 (E_RNA)
where:
Base-Base interactions energy: -387.797
where: short stacking energy: -185.384
Base-Backbone interact. energy: -0.394
local terms energy: -218.351564
where:
bonds (distance) C4'-P energy: -45.863
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: -58.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -576.730273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.730273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.730273 (E_RNA)
where:
Base-Base interactions energy: -392.474
where: short stacking energy: -171.122
Base-Backbone interact. energy: -0.827
local terms energy: -183.428957
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -27.661
tors. eta vs tors. theta energy: -44.899
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: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -513.020391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.020391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.020391 (E_RNA)
where:
Base-Base interactions energy: -321.603
where: short stacking energy: -145.656
Base-Backbone interact. energy: -0.578
local terms energy: -190.839366
where:
bonds (distance) C4'-P energy: -42.873
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -43.453
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -36.371
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: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -450.737316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.737316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.737316 (E_RNA)
where:
Base-Base interactions energy: -274.323
where: short stacking energy: -140.302
Base-Backbone interact. energy: 0.826
local terms energy: -177.240555
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -40.556
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -35.009
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: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -397.279920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.279920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.279920 (E_RNA)
where:
Base-Base interactions energy: -223.658
where: short stacking energy: -123.649
Base-Backbone interact. energy: -1.597
local terms energy: -172.024931
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -284.549197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.549197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.549197 (E_RNA)
where:
Base-Base interactions energy: -143.473
where: short stacking energy: -84.647
Base-Backbone interact. energy: -1.915
local terms energy: -139.161011
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -208.574911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.574911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.574911 (E_RNA)
where:
Base-Base interactions energy: -75.945
where: short stacking energy: -60.941
Base-Backbone interact. energy: 0.966
local terms energy: -133.596594
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -44.730
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -723.407014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.407014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.407014 (E_RNA)
where:
Base-Base interactions energy: -486.709
where: short stacking energy: -220.420
Base-Backbone interact. energy: -2.466
local terms energy: -234.231712
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -29.583
tors. eta vs tors. theta energy: -65.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -690.911664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.911664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.911664 (E_RNA)
where:
Base-Base interactions energy: -457.631
where: short stacking energy: -224.555
Base-Backbone interact. energy: -0.696
local terms energy: -232.585268
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -41.284
flat angles C4'-P-C4' energy: -46.228
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -73.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -667.842947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.842947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.842947 (E_RNA)
where:
Base-Base interactions energy: -447.014
where: short stacking energy: -206.487
Base-Backbone interact. energy: -1.035
local terms energy: -219.793831
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -42.900
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -27.901
tors. eta vs tors. theta energy: -64.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -616.876562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.876562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.876562 (E_RNA)
where:
Base-Base interactions energy: -412.381
where: short stacking energy: -194.090
Base-Backbone interact. energy: -0.270
local terms energy: -204.224809
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -45.703
flat angles C4'-P-C4' energy: -41.105
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -58.327
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: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -566.527366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.527366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.527366 (E_RNA)
where:
Base-Base interactions energy: -371.379
where: short stacking energy: -152.944
Base-Backbone interact. energy: -1.381
local terms energy: -193.767119
where:
bonds (distance) C4'-P energy: -40.902
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -44.333
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -41.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -507.821484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.821484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.821484 (E_RNA)
where:
Base-Base interactions energy: -337.942
where: short stacking energy: -145.847
Base-Backbone interact. energy: -0.469
local terms energy: -169.410322
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -47.865
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -32.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -459.976475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.976475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.976475 (E_RNA)
where:
Base-Base interactions energy: -292.031
where: short stacking energy: -138.934
Base-Backbone interact. energy: -0.522
local terms energy: -167.423306
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -427.322550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.322550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.322550 (E_RNA)
where:
Base-Base interactions energy: -272.350
where: short stacking energy: -129.989
Base-Backbone interact. energy: 0.333
local terms energy: -155.305436
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -28.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -299.580493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.580493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.580493 (E_RNA)
where:
Base-Base interactions energy: -158.823
where: short stacking energy: -90.728
Base-Backbone interact. energy: -0.960
local terms energy: -139.797157
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -9.900
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: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -198.316084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.316084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.316084 (E_RNA)
where:
Base-Base interactions energy: -74.466
where: short stacking energy: -47.796
Base-Backbone interact. energy: -1.211
local terms energy: -122.639165
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -41.613
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -712.574405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.574405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.574405 (E_RNA)
where:
Base-Base interactions energy: -475.550
where: short stacking energy: -220.595
Base-Backbone interact. energy: -0.635
local terms energy: -236.389227
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -66.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -696.032241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.032241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.032241 (E_RNA)
where:
Base-Base interactions energy: -470.395
where: short stacking energy: -204.774
Base-Backbone interact. energy: -0.724
local terms energy: -224.912540
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -70.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -680.888726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.888726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.888726 (E_RNA)
where:
Base-Base interactions energy: -465.627
where: short stacking energy: -204.546
Base-Backbone interact. energy: -0.490
local terms energy: -214.771780
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -44.481
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -66.533
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -620.554028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.554028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.554028 (E_RNA)
where:
Base-Base interactions energy: -409.848
where: short stacking energy: -186.894
Base-Backbone interact. energy: -1.703
local terms energy: -209.002500
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -53.772
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -567.119105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.119105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.119105 (E_RNA)
where:
Base-Base interactions energy: -387.317
where: short stacking energy: -186.100
Base-Backbone interact. energy: -0.719
local terms energy: -179.082950
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -48.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -525.723286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.723286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.723286 (E_RNA)
where:
Base-Base interactions energy: -346.378
where: short stacking energy: -159.760
Base-Backbone interact. energy: -1.255
local terms energy: -178.089820
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -40.994
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: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -474.137181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.137181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.137181 (E_RNA)
where:
Base-Base interactions energy: -306.341
where: short stacking energy: -136.995
Base-Backbone interact. energy: 0.751
local terms energy: -168.547307
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -32.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -355.875627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.875627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.875627 (E_RNA)
where:
Base-Base interactions energy: -201.761
where: short stacking energy: -104.765
Base-Backbone interact. energy: -1.278
local terms energy: -152.836611
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -18.660
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: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -290.489327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.489327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.489327 (E_RNA)
where:
Base-Base interactions energy: -149.908
where: short stacking energy: -65.718
Base-Backbone interact. energy: -1.489
local terms energy: -139.092246
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -41.585
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -181.705547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.705547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.705547 (E_RNA)
where:
Base-Base interactions energy: -54.793
where: short stacking energy: -52.128
Base-Backbone interact. energy: 5.458
local terms energy: -132.370698
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -29.699
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -713.746198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.746198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.746198 (E_RNA)
where:
Base-Base interactions energy: -485.652
where: short stacking energy: -224.310
Base-Backbone interact. energy: -0.810
local terms energy: -227.285041
where:
bonds (distance) C4'-P energy: -42.622
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -46.912
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -74.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -699.004610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.004610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.004610 (E_RNA)
where:
Base-Base interactions energy: -471.765
where: short stacking energy: -210.304
Base-Backbone interact. energy: -0.397
local terms energy: -226.842984
where:
bonds (distance) C4'-P energy: -28.094
bonds (distance) P-C4' energy: -49.674
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -37.118
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: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -682.718113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.718113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.718113 (E_RNA)
where:
Base-Base interactions energy: -461.074
where: short stacking energy: -212.226
Base-Backbone interact. energy: 1.631
local terms energy: -223.274997
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -42.188
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -67.468
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -602.319443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.319443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.319443 (E_RNA)
where:
Base-Base interactions energy: -389.717
where: short stacking energy: -179.179
Base-Backbone interact. energy: -0.816
local terms energy: -211.786458
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -40.530
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -57.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -588.291316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.291316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.291316 (E_RNA)
where:
Base-Base interactions energy: -382.051
where: short stacking energy: -176.196
Base-Backbone interact. energy: -0.558
local terms energy: -205.682269
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -43.526
flat angles C4'-P-C4' energy: -46.001
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -54.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -536.594914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.594914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.594914 (E_RNA)
where:
Base-Base interactions energy: -345.652
where: short stacking energy: -158.156
Base-Backbone interact. energy: 0.438
local terms energy: -191.381504
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -42.220
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -43.368
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: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -471.513541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.513541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.513541 (E_RNA)
where:
Base-Base interactions energy: -286.474
where: short stacking energy: -154.711
Base-Backbone interact. energy: 1.128
local terms energy: -186.168392
where:
bonds (distance) C4'-P energy: -43.832
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -41.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -350.547191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.547191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.547191 (E_RNA)
where:
Base-Base interactions energy: -199.776
where: short stacking energy: -99.591
Base-Backbone interact. energy: 5.139
local terms energy: -155.910483
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -43.722
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -32.439
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: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -317.182467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.182467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.182467 (E_RNA)
where:
Base-Base interactions energy: -183.212
where: short stacking energy: -104.304
Base-Backbone interact. energy: -0.393
local terms energy: -133.577537
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -40.376
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -20.075
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: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -173.414432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.414432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.414432 (E_RNA)
where:
Base-Base interactions energy: -56.619
where: short stacking energy: -46.512
Base-Backbone interact. energy: -1.612
local terms energy: -115.183672
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -45.639
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: 15.311
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: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -732.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.366431 (E_RNA)
where:
Base-Base interactions energy: -504.081
where: short stacking energy: -229.527
Base-Backbone interact. energy: -0.089
local terms energy: -228.196680
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -74.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -736.644244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.644244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.644244 (E_RNA)
where:
Base-Base interactions energy: -491.080
where: short stacking energy: -222.984
Base-Backbone interact. energy: 0.523
local terms energy: -246.087327
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -68.839
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: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -682.620315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.620315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.620315 (E_RNA)
where:
Base-Base interactions energy: -456.765
where: short stacking energy: -214.003
Base-Backbone interact. energy: -0.500
local terms energy: -225.354609
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -68.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -581.709184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.709184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.709184 (E_RNA)
where:
Base-Base interactions energy: -366.920
where: short stacking energy: -160.732
Base-Backbone interact. energy: -0.792
local terms energy: -213.997647
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -45.530
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -55.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -587.792397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.792397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.792397 (E_RNA)
where:
Base-Base interactions energy: -395.833
where: short stacking energy: -174.254
Base-Backbone interact. energy: -0.124
local terms energy: -191.835434
where:
bonds (distance) C4'-P energy: -33.579
bonds (distance) P-C4' energy: -41.995
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -46.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -482.215186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.215186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.215186 (E_RNA)
where:
Base-Base interactions energy: -306.745
where: short stacking energy: -136.346
Base-Backbone interact. energy: -0.364
local terms energy: -175.105989
where:
bonds (distance) C4'-P energy: -39.648
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -37.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -512.565649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.565649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.565649 (E_RNA)
where:
Base-Base interactions energy: -339.564
where: short stacking energy: -150.935
Base-Backbone interact. energy: -1.619
local terms energy: -171.382072
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -35.295
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: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -354.426392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.426392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.426392 (E_RNA)
where:
Base-Base interactions energy: -201.375
where: short stacking energy: -100.862
Base-Backbone interact. energy: -0.557
local terms energy: -152.494670
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -43.935
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -310.287760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.287760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.287760 (E_RNA)
where:
Base-Base interactions energy: -161.671
where: short stacking energy: -92.608
Base-Backbone interact. energy: -1.380
local terms energy: -147.236286
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -189.398109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.398109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.398109 (E_RNA)
where:
Base-Base interactions energy: -63.373
where: short stacking energy: -33.724
Base-Backbone interact. energy: 1.150
local terms energy: -127.175238
where:
bonds (distance) C4'-P energy: -43.659
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: 14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -716.885855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.885855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.885855 (E_RNA)
where:
Base-Base interactions energy: -487.390
where: short stacking energy: -218.333
Base-Backbone interact. energy: 0.093
local terms energy: -229.588980
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -46.363
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -66.676
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: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -724.606410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.606410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.606410 (E_RNA)
where:
Base-Base interactions energy: -476.669
where: short stacking energy: -224.637
Base-Backbone interact. energy: 0.678
local terms energy: -248.615317
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -43.591
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -76.608
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: 418
Temperature: 1.000000
Total energy: -682.057372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.057372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.057372 (E_RNA)
where:
Base-Base interactions energy: -447.902
where: short stacking energy: -202.040
Base-Backbone interact. energy: -0.037
local terms energy: -234.118416
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -43.982
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -611.325445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.325445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.325445 (E_RNA)
where:
Base-Base interactions energy: -393.305
where: short stacking energy: -174.289
Base-Backbone interact. energy: -0.323
local terms energy: -217.697322
where:
bonds (distance) C4'-P energy: -41.389
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -52.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -599.848356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.848356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.848356 (E_RNA)
where:
Base-Base interactions energy: -399.639
where: short stacking energy: -176.877
Base-Backbone interact. energy: 1.133
local terms energy: -201.342550
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -43.366
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -47.645
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: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -505.260440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.260440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.260440 (E_RNA)
where:
Base-Base interactions energy: -319.522
where: short stacking energy: -156.272
Base-Backbone interact. energy: -0.295
local terms energy: -185.443785
where:
bonds (distance) C4'-P energy: -39.262
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -41.166
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -29.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -495.475510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.475510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.475510 (E_RNA)
where:
Base-Base interactions energy: -318.507
where: short stacking energy: -144.322
Base-Backbone interact. energy: -0.735
local terms energy: -176.233221
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -35.321
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -391.572518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.572518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.572518 (E_RNA)
where:
Base-Base interactions energy: -231.514
where: short stacking energy: -125.225
Base-Backbone interact. energy: 2.631
local terms energy: -162.689253
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -43.395
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -303.218622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.218622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.218622 (E_RNA)
where:
Base-Base interactions energy: -163.952
where: short stacking energy: -93.788
Base-Backbone interact. energy: 0.849
local terms energy: -140.114714
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -187.341203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.341203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.341203 (E_RNA)
where:
Base-Base interactions energy: -60.806
where: short stacking energy: -57.332
Base-Backbone interact. energy: -0.851
local terms energy: -125.684346
where:
bonds (distance) C4'-P energy: -42.327
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -722.568554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.568554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.568554 (E_RNA)
where:
Base-Base interactions energy: -489.452
where: short stacking energy: -203.810
Base-Backbone interact. energy: -1.664
local terms energy: -231.452350
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -41.824
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -63.572
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -697.910097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.910097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.910097 (E_RNA)
where:
Base-Base interactions energy: -468.625
where: short stacking energy: -214.841
Base-Backbone interact. energy: -1.667
local terms energy: -227.618142
where:
bonds (distance) C4'-P energy: -33.519
bonds (distance) P-C4' energy: -46.903
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -68.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -681.671450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.671450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.671450 (E_RNA)
where:
Base-Base interactions energy: -468.724
where: short stacking energy: -205.724
Base-Backbone interact. energy: -0.557
local terms energy: -212.390924
where:
bonds (distance) C4'-P energy: -39.672
bonds (distance) P-C4' energy: -35.931
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -66.384
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: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -604.513231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.513231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.513231 (E_RNA)
where:
Base-Base interactions energy: -390.597
where: short stacking energy: -180.141
Base-Backbone interact. energy: -0.772
local terms energy: -213.143769
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -44.669
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -52.654
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -576.926573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.926573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.926573 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -175.922
Base-Backbone interact. energy: -0.390
local terms energy: -202.416741
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -39.174
tors. eta vs tors. theta energy: -48.954
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: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -488.625210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.625210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.625210 (E_RNA)
where:
Base-Base interactions energy: -311.428
where: short stacking energy: -156.414
Base-Backbone interact. energy: 1.963
local terms energy: -179.159858
where:
bonds (distance) C4'-P energy: -40.730
bonds (distance) P-C4' energy: -39.858
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -37.596
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -488.957504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.957504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.957504 (E_RNA)
where:
Base-Base interactions energy: -315.537
where: short stacking energy: -146.760
Base-Backbone interact. energy: 0.030
local terms energy: -173.449736
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -42.803
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -34.424
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -332.280352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.280352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.280352 (E_RNA)
where:
Base-Base interactions energy: -183.823
where: short stacking energy: -107.295
Base-Backbone interact. energy: -0.581
local terms energy: -147.875726
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -289.776478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.776478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.776478 (E_RNA)
where:
Base-Base interactions energy: -132.156
where: short stacking energy: -80.346
Base-Backbone interact. energy: -0.652
local terms energy: -156.968727
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -42.147
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -244.990419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.990419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.990419 (E_RNA)
where:
Base-Base interactions energy: -120.464
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.737
local terms energy: -123.789352
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -8.384
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: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -729.142781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.142781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.142781 (E_RNA)
where:
Base-Base interactions energy: -507.405
where: short stacking energy: -223.821
Base-Backbone interact. energy: -1.311
local terms energy: -220.426357
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -44.757
flat angles C4'-P-C4' energy: -47.072
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -67.603
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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -688.111081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.111081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.111081 (E_RNA)
where:
Base-Base interactions energy: -459.600
where: short stacking energy: -213.942
Base-Backbone interact. energy: -0.639
local terms energy: -227.872512
where:
bonds (distance) C4'-P energy: -44.787
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -47.674
flat angles P-C4'-P energy: -34.586
tors. eta vs tors. theta energy: -67.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -679.959128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.959128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.959128 (E_RNA)
where:
Base-Base interactions energy: -452.069
where: short stacking energy: -210.709
Base-Backbone interact. energy: -0.709
local terms energy: -227.181467
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -41.080
flat angles C4'-P-C4' energy: -45.269
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -70.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -608.211723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.211723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.211723 (E_RNA)
where:
Base-Base interactions energy: -415.834
where: short stacking energy: -197.492
Base-Backbone interact. energy: -0.161
local terms energy: -192.216647
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -53.293
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: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -578.757647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.757647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.757647 (E_RNA)
where:
Base-Base interactions energy: -369.436
where: short stacking energy: -171.517
Base-Backbone interact. energy: -1.847
local terms energy: -207.474103
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -57.023
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: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -462.824209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.824209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.824209 (E_RNA)
where:
Base-Base interactions energy: -292.587
where: short stacking energy: -116.296
Base-Backbone interact. energy: -0.543
local terms energy: -169.694407
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -30.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -467.191010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.191010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.191010 (E_RNA)
where:
Base-Base interactions energy: -288.964
where: short stacking energy: -117.762
Base-Backbone interact. energy: 0.606
local terms energy: -178.832869
where:
bonds (distance) C4'-P energy: -45.950
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -28.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -342.548602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.548602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.548602 (E_RNA)
where:
Base-Base interactions energy: -183.099
where: short stacking energy: -77.836
Base-Backbone interact. energy: -1.849
local terms energy: -157.600090
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -41.981
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -305.813237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.813237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.813237 (E_RNA)
where:
Base-Base interactions energy: -173.040
where: short stacking energy: -90.038
Base-Backbone interact. energy: -0.607
local terms energy: -132.166010
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -235.862622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.862622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.862622 (E_RNA)
where:
Base-Base interactions energy: -117.778
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.635
local terms energy: -117.449616
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: 7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -734.671264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.671264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.671264 (E_RNA)
where:
Base-Base interactions energy: -499.498
where: short stacking energy: -225.046
Base-Backbone interact. energy: -1.605
local terms energy: -233.568146
where:
bonds (distance) C4'-P energy: -40.775
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -50.736
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -71.680
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -703.785235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.785235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.785235 (E_RNA)
where:
Base-Base interactions energy: -473.594
where: short stacking energy: -216.844
Base-Backbone interact. energy: -0.143
local terms energy: -230.048550
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -72.464
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: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -670.599222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.599222 (E_RNA)
where:
Base-Base interactions energy: -447.759
where: short stacking energy: -204.813
Base-Backbone interact. energy: -0.214
local terms energy: -222.626493
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -46.996
flat angles C4'-P-C4' energy: -47.375
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -64.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -601.095011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.095011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.095011 (E_RNA)
where:
Base-Base interactions energy: -408.994
where: short stacking energy: -173.858
Base-Backbone interact. energy: -1.724
local terms energy: -190.376961
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -51.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -594.093895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.093895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.093895 (E_RNA)
where:
Base-Base interactions energy: -393.762
where: short stacking energy: -180.733
Base-Backbone interact. energy: -1.524
local terms energy: -198.807930
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -38.549
flat angles P-C4'-P energy: -28.394
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: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -508.605199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.605199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.605199 (E_RNA)
where:
Base-Base interactions energy: -325.650
where: short stacking energy: -143.515
Base-Backbone interact. energy: -1.372
local terms energy: -181.582726
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -38.413
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -35.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -491.805981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.805981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.805981 (E_RNA)
where:
Base-Base interactions energy: -320.202
where: short stacking energy: -142.752
Base-Backbone interact. energy: -1.108
local terms energy: -170.495380
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -35.636
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -354.737035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.737035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.737035 (E_RNA)
where:
Base-Base interactions energy: -193.878
where: short stacking energy: -102.017
Base-Backbone interact. energy: -0.134
local terms energy: -160.724991
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -258.156019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.156019 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -69.233
Base-Backbone interact. energy: 0.076
local terms energy: -121.194078
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -32.466
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -259.206245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.206245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.206245 (E_RNA)
where:
Base-Base interactions energy: -135.960
where: short stacking energy: -83.600
Base-Backbone interact. energy: 1.496
local terms energy: -124.742470
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -37.396
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -746.554602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.554602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.554602 (E_RNA)
where:
Base-Base interactions energy: -501.285
where: short stacking energy: -223.963
Base-Backbone interact. energy: -0.248
local terms energy: -245.021801
where:
bonds (distance) C4'-P energy: -44.381
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -73.194
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -700.415254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.415254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.415254 (E_RNA)
where:
Base-Base interactions energy: -479.092
where: short stacking energy: -223.000
Base-Backbone interact. energy: -1.321
local terms energy: -220.002110
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -47.668
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -66.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -684.920129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.920129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.920129 (E_RNA)
where:
Base-Base interactions energy: -459.371
where: short stacking energy: -212.610
Base-Backbone interact. energy: -0.431
local terms energy: -225.117900
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -45.216
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -67.114
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -599.756223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.756223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.756223 (E_RNA)
where:
Base-Base interactions energy: -408.598
where: short stacking energy: -195.215
Base-Backbone interact. energy: 0.126
local terms energy: -191.283377
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -37.234
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -53.160
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -586.634979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.634979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.634979 (E_RNA)
where:
Base-Base interactions energy: -382.172
where: short stacking energy: -161.042
Base-Backbone interact. energy: 1.377
local terms energy: -205.839609
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -49.211
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -45.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -492.950646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.950646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.950646 (E_RNA)
where:
Base-Base interactions energy: -318.282
where: short stacking energy: -152.003
Base-Backbone interact. energy: -0.435
local terms energy: -174.233684
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -451.971453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.971453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.971453 (E_RNA)
where:
Base-Base interactions energy: -271.822
where: short stacking energy: -128.220
Base-Backbone interact. energy: -1.005
local terms energy: -179.144049
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -36.380
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -35.732
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: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -340.978355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.978355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.978355 (E_RNA)
where:
Base-Base interactions energy: -185.513
where: short stacking energy: -107.035
Base-Backbone interact. energy: -0.265
local terms energy: -155.199900
where:
bonds (distance) C4'-P energy: -40.576
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -26.190
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: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -229.803697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.803697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.803697 (E_RNA)
where:
Base-Base interactions energy: -101.424
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.857
local terms energy: -127.523045
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -269.145016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.145016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.145016 (E_RNA)
where:
Base-Base interactions energy: -154.847
where: short stacking energy: -87.374
Base-Backbone interact. energy: -1.644
local terms energy: -112.654744
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: 1.305
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: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -735.986456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.986456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.986456 (E_RNA)
where:
Base-Base interactions energy: -500.691
where: short stacking energy: -219.536
Base-Backbone interact. energy: -0.919
local terms energy: -234.376727
where:
bonds (distance) C4'-P energy: -41.977
bonds (distance) P-C4' energy: -39.064
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -70.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -711.204900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.204900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.204900 (E_RNA)
where:
Base-Base interactions energy: -465.278
where: short stacking energy: -216.276
Base-Backbone interact. energy: 0.040
local terms energy: -245.967167
where:
bonds (distance) C4'-P energy: -45.823
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -70.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -690.674291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.674291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.674291 (E_RNA)
where:
Base-Base interactions energy: -468.388
where: short stacking energy: -218.763
Base-Backbone interact. energy: -0.228
local terms energy: -222.058184
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -39.256
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -72.370
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: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -595.667188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.667188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.667188 (E_RNA)
where:
Base-Base interactions energy: -391.463
where: short stacking energy: -178.175
Base-Backbone interact. energy: 0.561
local terms energy: -204.765475
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -42.989
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -54.394
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: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -576.491869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.491869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.491869 (E_RNA)
where:
Base-Base interactions energy: -380.612
where: short stacking energy: -157.231
Base-Backbone interact. energy: -1.593
local terms energy: -194.286907
where:
bonds (distance) C4'-P energy: -41.729
bonds (distance) P-C4' energy: -42.356
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -45.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -477.863139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.863139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.863139 (E_RNA)
where:
Base-Base interactions energy: -304.942
where: short stacking energy: -135.891
Base-Backbone interact. energy: -0.908
local terms energy: -172.013863
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -43.922
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -33.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -479.709114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.709114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.709114 (E_RNA)
where:
Base-Base interactions energy: -324.233
where: short stacking energy: -123.368
Base-Backbone interact. energy: -0.554
local terms energy: -154.921902
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -36.242
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -336.866392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.866392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.866392 (E_RNA)
where:
Base-Base interactions energy: -191.354
where: short stacking energy: -104.887
Base-Backbone interact. energy: 0.726
local terms energy: -146.238816
where:
bonds (distance) C4'-P energy: -39.915
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -269.823767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.823767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.823767 (E_RNA)
where:
Base-Base interactions energy: -137.813
where: short stacking energy: -96.846
Base-Backbone interact. energy: -0.532
local terms energy: -131.478355
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -294.245042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.245042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.245042 (E_RNA)
where:
Base-Base interactions energy: -167.102
where: short stacking energy: -74.315
Base-Backbone interact. energy: -1.761
local terms energy: -125.381985
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -734.211240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.211240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.211240 (E_RNA)
where:
Base-Base interactions energy: -498.662
where: short stacking energy: -229.172
Base-Backbone interact. energy: -0.777
local terms energy: -234.772049
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -73.821
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -677.399605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.399605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.399605 (E_RNA)
where:
Base-Base interactions energy: -447.585
where: short stacking energy: -195.143
Base-Backbone interact. energy: -0.303
local terms energy: -229.511128
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -42.996
flat angles C4'-P-C4' energy: -47.600
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -61.778
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -674.347379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.347379 (E_RNA)
where:
Base-Base interactions energy: -448.095
where: short stacking energy: -201.369
Base-Backbone interact. energy: -0.279
local terms energy: -225.972816
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -44.359
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -62.020
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: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -597.879400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.879400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.879400 (E_RNA)
where:
Base-Base interactions energy: -396.267
where: short stacking energy: -174.182
Base-Backbone interact. energy: -0.842
local terms energy: -200.770388
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -55.355
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: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -574.449623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.449623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.449623 (E_RNA)
where:
Base-Base interactions energy: -377.172
where: short stacking energy: -167.077
Base-Backbone interact. energy: -1.570
local terms energy: -195.707497
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -480.033530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.033530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.033530 (E_RNA)
where:
Base-Base interactions energy: -317.630
where: short stacking energy: -148.841
Base-Backbone interact. energy: -0.333
local terms energy: -162.070846
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -32.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -480.156101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.156101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.156101 (E_RNA)
where:
Base-Base interactions energy: -314.684
where: short stacking energy: -149.194
Base-Backbone interact. energy: -1.064
local terms energy: -164.407803
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -31.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -336.734230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.734230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.734230 (E_RNA)
where:
Base-Base interactions energy: -191.756
where: short stacking energy: -101.978
Base-Backbone interact. energy: -1.054
local terms energy: -143.924537
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -290.426233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.426233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.426233 (E_RNA)
where:
Base-Base interactions energy: -160.408
where: short stacking energy: -92.189
Base-Backbone interact. energy: -1.623
local terms energy: -128.394759
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -235.860428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.860428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.860428 (E_RNA)
where:
Base-Base interactions energy: -99.084
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.170
local terms energy: -136.606300
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -38.638
flat angles C4'-P-C4' energy: -39.560
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -747.606439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.606439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.606439 (E_RNA)
where:
Base-Base interactions energy: -518.526
where: short stacking energy: -221.140
Base-Backbone interact. energy: -0.012
local terms energy: -229.067863
where:
bonds (distance) C4'-P energy: -40.503
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -42.536
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -74.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -685.404571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.404571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.404571 (E_RNA)
where:
Base-Base interactions energy: -462.623
where: short stacking energy: -209.125
Base-Backbone interact. energy: -0.175
local terms energy: -222.606566
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -47.093
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -66.673
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: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -681.506194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.506194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.506194 (E_RNA)
where:
Base-Base interactions energy: -457.027
where: short stacking energy: -209.110
Base-Backbone interact. energy: -1.460
local terms energy: -223.018949
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -43.783
flat angles C4'-P-C4' energy: -45.439
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: -66.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -627.477259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.477259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.477259 (E_RNA)
where:
Base-Base interactions energy: -421.134
where: short stacking energy: -177.722
Base-Backbone interact. energy: -0.154
local terms energy: -206.188820
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -587.988590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.988590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.988590 (E_RNA)
where:
Base-Base interactions energy: -392.433
where: short stacking energy: -174.602
Base-Backbone interact. energy: 0.206
local terms energy: -195.761631
where:
bonds (distance) C4'-P energy: -41.121
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -50.703
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: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -500.290485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.290485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.290485 (E_RNA)
where:
Base-Base interactions energy: -323.225
where: short stacking energy: -149.401
Base-Backbone interact. energy: 0.340
local terms energy: -177.406106
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -44.385
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -30.368
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -448.515322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.515322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.515322 (E_RNA)
where:
Base-Base interactions energy: -284.681
where: short stacking energy: -123.687
Base-Backbone interact. energy: -0.260
local terms energy: -163.574787
where:
bonds (distance) C4'-P energy: -34.841
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -337.724114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.724114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.724114 (E_RNA)
where:
Base-Base interactions energy: -207.455
where: short stacking energy: -100.356
Base-Backbone interact. energy: -0.308
local terms energy: -129.961487
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -332.893223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.893223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.893223 (E_RNA)
where:
Base-Base interactions energy: -194.850
where: short stacking energy: -96.031
Base-Backbone interact. energy: 0.893
local terms energy: -138.936208
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -14.990
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: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -235.689845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.689845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.689845 (E_RNA)
where:
Base-Base interactions energy: -121.326
where: short stacking energy: -82.291
Base-Backbone interact. energy: -1.198
local terms energy: -113.166440
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -736.794203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.794203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.794203 (E_RNA)
where:
Base-Base interactions energy: -489.821
where: short stacking energy: -214.622
Base-Backbone interact. energy: -0.125
local terms energy: -246.848193
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -50.187
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -69.400
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: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -693.573644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.573644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.573644 (E_RNA)
where:
Base-Base interactions energy: -461.180
where: short stacking energy: -216.073
Base-Backbone interact. energy: -0.186
local terms energy: -232.207406
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -46.949
flat angles C4'-P-C4' energy: -46.603
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -68.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -680.718456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.718456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.718456 (E_RNA)
where:
Base-Base interactions energy: -448.063
where: short stacking energy: -193.013
Base-Backbone interact. energy: -0.596
local terms energy: -232.059891
where:
bonds (distance) C4'-P energy: -43.759
bonds (distance) P-C4' energy: -42.418
flat angles C4'-P-C4' energy: -44.963
flat angles P-C4'-P energy: -38.321
tors. eta vs tors. theta energy: -62.599
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: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -617.594868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.594868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.594868 (E_RNA)
where:
Base-Base interactions energy: -412.051
where: short stacking energy: -202.537
Base-Backbone interact. energy: -1.484
local terms energy: -204.060764
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -58.758
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: 426
Temperature: 1.100000
Total energy: -591.872156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.872156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.872156 (E_RNA)
where:
Base-Base interactions energy: -389.897
where: short stacking energy: -176.076
Base-Backbone interact. energy: -0.733
local terms energy: -201.242844
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -51.342
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: 426
Temperature: 1.150000
Total energy: -485.457170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.457170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.457170 (E_RNA)
where:
Base-Base interactions energy: -324.765
where: short stacking energy: -142.530
Base-Backbone interact. energy: -0.012
local terms energy: -160.680271
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -32.811
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -460.824108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.824108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.824108 (E_RNA)
where:
Base-Base interactions energy: -277.214
where: short stacking energy: -146.023
Base-Backbone interact. energy: 0.586
local terms energy: -184.195887
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: -41.383
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: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -371.781967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.781967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.781967 (E_RNA)
where:
Base-Base interactions energy: -214.128
where: short stacking energy: -116.550
Base-Backbone interact. energy: -0.307
local terms energy: -157.347659
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -40.353
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -325.860527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.860527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.860527 (E_RNA)
where:
Base-Base interactions energy: -190.958
where: short stacking energy: -99.371
Base-Backbone interact. energy: -0.748
local terms energy: -134.154258
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -194.725443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.725443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.725443 (E_RNA)
where:
Base-Base interactions energy: -83.788
where: short stacking energy: -79.204
Base-Backbone interact. energy: 1.236
local terms energy: -112.173258
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -738.994000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.994000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.994000 (E_RNA)
where:
Base-Base interactions energy: -502.454
where: short stacking energy: -216.120
Base-Backbone interact. energy: -0.837
local terms energy: -235.703062
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -47.525
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -68.364
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: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -703.519403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.519403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.519403 (E_RNA)
where:
Base-Base interactions energy: -476.649
where: short stacking energy: -230.088
Base-Backbone interact. energy: -0.034
local terms energy: -226.836771
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -72.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -672.720722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.720722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.720722 (E_RNA)
where:
Base-Base interactions energy: -442.521
where: short stacking energy: -208.476
Base-Backbone interact. energy: -1.444
local terms energy: -228.756196
where:
bonds (distance) C4'-P energy: -33.958
bonds (distance) P-C4' energy: -42.087
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -69.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -611.321011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.321011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.321011 (E_RNA)
where:
Base-Base interactions energy: -403.128
where: short stacking energy: -168.450
Base-Backbone interact. energy: -0.787
local terms energy: -207.405666
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -48.981
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -49.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -579.997014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.997014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.997014 (E_RNA)
where:
Base-Base interactions energy: -385.371
where: short stacking energy: -184.691
Base-Backbone interact. energy: -0.383
local terms energy: -194.243033
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -45.128
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -46.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -466.386702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.386702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.386702 (E_RNA)
where:
Base-Base interactions energy: -299.631
where: short stacking energy: -128.014
Base-Backbone interact. energy: 0.539
local terms energy: -167.295148
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -432.359518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.359518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.359518 (E_RNA)
where:
Base-Base interactions energy: -282.617
where: short stacking energy: -127.171
Base-Backbone interact. energy: 0.089
local terms energy: -149.831664
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -42.398
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -35.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -345.081418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.081418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.081418 (E_RNA)
where:
Base-Base interactions energy: -207.631
where: short stacking energy: -112.817
Base-Backbone interact. energy: -0.778
local terms energy: -136.672781
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -28.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -310.646859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.646859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.646859 (E_RNA)
where:
Base-Base interactions energy: -169.718
where: short stacking energy: -84.500
Base-Backbone interact. energy: -0.502
local terms energy: -140.426954
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -229.411911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.411911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.411911 (E_RNA)
where:
Base-Base interactions energy: -99.189
where: short stacking energy: -65.126
Base-Backbone interact. energy: 1.275
local terms energy: -131.497932
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -745.680682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.680682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.680682 (E_RNA)
where:
Base-Base interactions energy: -511.993
where: short stacking energy: -225.674
Base-Backbone interact. energy: -0.663
local terms energy: -233.024198
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -48.258
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -72.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -712.430417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.430417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.430417 (E_RNA)
where:
Base-Base interactions energy: -479.344
where: short stacking energy: -226.422
Base-Backbone interact. energy: -1.197
local terms energy: -231.889454
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -72.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -663.952942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.952942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.952942 (E_RNA)
where:
Base-Base interactions energy: -449.608
where: short stacking energy: -201.717
Base-Backbone interact. energy: -0.647
local terms energy: -213.697592
where:
bonds (distance) C4'-P energy: -41.591
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -62.312
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -621.858452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.858452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.858452 (E_RNA)
where:
Base-Base interactions energy: -412.582
where: short stacking energy: -192.301
Base-Backbone interact. energy: -0.736
local terms energy: -208.540685
where:
bonds (distance) C4'-P energy: -41.711
bonds (distance) P-C4' energy: -36.573
flat angles C4'-P-C4' energy: -49.888
flat angles P-C4'-P energy: -30.542
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: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -593.881999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.881999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.881999 (E_RNA)
where:
Base-Base interactions energy: -388.476
where: short stacking energy: -166.277
Base-Backbone interact. energy: 0.805
local terms energy: -206.210301
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -39.137
flat angles C4'-P-C4' energy: -43.888
flat angles P-C4'-P energy: -29.554
tors. eta vs tors. theta energy: -51.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -487.695122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.695122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.695122 (E_RNA)
where:
Base-Base interactions energy: -320.775
where: short stacking energy: -148.994
Base-Backbone interact. energy: -0.471
local terms energy: -166.448726
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -37.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -443.538743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.538743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.538743 (E_RNA)
where:
Base-Base interactions energy: -277.610
where: short stacking energy: -142.646
Base-Backbone interact. energy: -0.271
local terms energy: -165.657465
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -35.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -345.200679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.200679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.200679 (E_RNA)
where:
Base-Base interactions energy: -205.936
where: short stacking energy: -112.227
Base-Backbone interact. energy: 0.103
local terms energy: -139.367499
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -33.848
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -315.888892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.888892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.888892 (E_RNA)
where:
Base-Base interactions energy: -167.770
where: short stacking energy: -82.120
Base-Backbone interact. energy: 0.535
local terms energy: -148.654023
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -175.933448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.933448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.933448 (E_RNA)
where:
Base-Base interactions energy: -70.806
where: short stacking energy: -55.036
Base-Backbone interact. energy: -1.923
local terms energy: -103.205076
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: 6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -742.946304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.946304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.946304 (E_RNA)
where:
Base-Base interactions energy: -500.247
where: short stacking energy: -223.843
Base-Backbone interact. energy: -0.412
local terms energy: -242.287439
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -40.485
flat angles C4'-P-C4' energy: -47.325
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -71.808
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -723.406742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.406742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.406742 (E_RNA)
where:
Base-Base interactions energy: -482.518
where: short stacking energy: -235.567
Base-Backbone interact. energy: -0.250
local terms energy: -240.638926
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -76.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -706.009479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.009479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.009479 (E_RNA)
where:
Base-Base interactions energy: -471.645
where: short stacking energy: -216.954
Base-Backbone interact. energy: -0.081
local terms energy: -234.282856
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -47.786
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -68.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -611.506592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.506592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.506592 (E_RNA)
where:
Base-Base interactions energy: -398.112
where: short stacking energy: -185.639
Base-Backbone interact. energy: -1.064
local terms energy: -212.330342
where:
bonds (distance) C4'-P energy: -40.695
bonds (distance) P-C4' energy: -43.506
flat angles C4'-P-C4' energy: -41.515
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -56.749
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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -580.171963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.171963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.171963 (E_RNA)
where:
Base-Base interactions energy: -378.373
where: short stacking energy: -171.880
Base-Backbone interact. energy: -0.277
local terms energy: -201.521780
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -39.166
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -51.170
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: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -520.176872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.176872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.176872 (E_RNA)
where:
Base-Base interactions energy: -319.571
where: short stacking energy: -151.877
Base-Backbone interact. energy: -1.124
local terms energy: -199.482476
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -42.383
flat angles C4'-P-C4' energy: -48.761
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -403.747570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.747570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.747570 (E_RNA)
where:
Base-Base interactions energy: -227.777
where: short stacking energy: -104.177
Base-Backbone interact. energy: -0.190
local terms energy: -175.780360
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -39.233
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -355.803395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.803395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.803395 (E_RNA)
where:
Base-Base interactions energy: -187.920
where: short stacking energy: -97.051
Base-Backbone interact. energy: -0.553
local terms energy: -167.330010
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -44.490
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -17.276
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -331.043968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.043968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.043968 (E_RNA)
where:
Base-Base interactions energy: -203.551
where: short stacking energy: -102.669
Base-Backbone interact. energy: -0.824
local terms energy: -126.668502
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -189.674829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.674829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.674829 (E_RNA)
where:
Base-Base interactions energy: -75.261
where: short stacking energy: -43.043
Base-Backbone interact. energy: 0.061
local terms energy: -114.475140
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -720.142771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.142771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.142771 (E_RNA)
where:
Base-Base interactions energy: -479.200
where: short stacking energy: -227.140
Base-Backbone interact. energy: -0.893
local terms energy: -240.049432
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -72.930
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: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -730.116280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.116280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.116280 (E_RNA)
where:
Base-Base interactions energy: -502.974
where: short stacking energy: -228.501
Base-Backbone interact. energy: -0.289
local terms energy: -226.853899
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -71.087
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: 430
Temperature: 1.000000
Total energy: -688.502999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.502999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.502999 (E_RNA)
where:
Base-Base interactions energy: -457.452
where: short stacking energy: -217.530
Base-Backbone interact. energy: -0.687
local terms energy: -230.364493
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -32.298
tors. eta vs tors. theta energy: -72.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -592.158957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.158957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.158957 (E_RNA)
where:
Base-Base interactions energy: -380.772
where: short stacking energy: -173.566
Base-Backbone interact. energy: -0.292
local terms energy: -211.095079
where:
bonds (distance) C4'-P energy: -41.195
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -42.950
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -56.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -582.736030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.736030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.736030 (E_RNA)
where:
Base-Base interactions energy: -388.915
where: short stacking energy: -165.305
Base-Backbone interact. energy: -0.802
local terms energy: -193.018422
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -44.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -518.911381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.911381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.911381 (E_RNA)
where:
Base-Base interactions energy: -323.980
where: short stacking energy: -152.854
Base-Backbone interact. energy: -0.297
local terms energy: -194.634299
where:
bonds (distance) C4'-P energy: -38.330
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -41.109
flat angles P-C4'-P energy: -32.926
tors. eta vs tors. theta energy: -34.653
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -376.209989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.209989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.209989 (E_RNA)
where:
Base-Base interactions energy: -218.973
where: short stacking energy: -134.967
Base-Backbone interact. energy: 0.676
local terms energy: -157.913654
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -27.437
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: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -418.973120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.973120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.973120 (E_RNA)
where:
Base-Base interactions energy: -250.402
where: short stacking energy: -126.741
Base-Backbone interact. energy: -0.105
local terms energy: -168.466181
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -39.430
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -29.502
tors. eta vs tors. theta energy: -25.871
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: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -274.753114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.753114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.753114 (E_RNA)
where:
Base-Base interactions energy: -147.018
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.069
local terms energy: -127.666304
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -184.027756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.027756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.027756 (E_RNA)
where:
Base-Base interactions energy: -51.925
where: short stacking energy: -45.695
Base-Backbone interact. energy: -1.226
local terms energy: -130.877378
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: 3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -712.616255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.616255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.616255 (E_RNA)
where:
Base-Base interactions energy: -474.837
where: short stacking energy: -229.437
Base-Backbone interact. energy: -0.043
local terms energy: -237.736017
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -71.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -725.063539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.063539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.063539 (E_RNA)
where:
Base-Base interactions energy: -494.034
where: short stacking energy: -226.082
Base-Backbone interact. energy: -0.113
local terms energy: -230.916879
where:
bonds (distance) C4'-P energy: -43.735
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -72.554
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -670.948549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.948549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.948549 (E_RNA)
where:
Base-Base interactions energy: -445.115
where: short stacking energy: -201.725
Base-Backbone interact. energy: -0.048
local terms energy: -225.786209
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -49.538
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -60.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -630.742355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.742355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.742355 (E_RNA)
where:
Base-Base interactions energy: -417.211
where: short stacking energy: -180.514
Base-Backbone interact. energy: -1.315
local terms energy: -212.216802
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -48.527
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -50.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -582.007223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.007223 (E_RNA)
where:
Base-Base interactions energy: -386.555
where: short stacking energy: -166.742
Base-Backbone interact. energy: -1.170
local terms energy: -194.282554
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -46.311
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -531.886872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.886872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.886872 (E_RNA)
where:
Base-Base interactions energy: -353.300
where: short stacking energy: -159.149
Base-Backbone interact. energy: -0.500
local terms energy: -178.086972
where:
bonds (distance) C4'-P energy: -35.259
bonds (distance) P-C4' energy: -40.690
flat angles C4'-P-C4' energy: -39.876
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -40.019
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: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -405.296322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.296322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.296322 (E_RNA)
where:
Base-Base interactions energy: -238.349
where: short stacking energy: -110.937
Base-Backbone interact. energy: 0.060
local terms energy: -167.007813
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -424.450859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.450859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.450859 (E_RNA)
where:
Base-Base interactions energy: -256.488
where: short stacking energy: -113.795
Base-Backbone interact. energy: -0.344
local terms energy: -167.618160
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -303.315210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.315210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.315210 (E_RNA)
where:
Base-Base interactions energy: -170.436
where: short stacking energy: -75.620
Base-Backbone interact. energy: 0.248
local terms energy: -133.127070
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -187.253176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.253176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.253176 (E_RNA)
where:
Base-Base interactions energy: -48.189
where: short stacking energy: -46.114
Base-Backbone interact. energy: -0.512
local terms energy: -138.552183
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -730.869504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.869504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.869504 (E_RNA)
where:
Base-Base interactions energy: -503.279
where: short stacking energy: -220.032
Base-Backbone interact. energy: -0.707
local terms energy: -226.883896
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -71.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -705.364581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.364581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.364581 (E_RNA)
where:
Base-Base interactions energy: -466.074
where: short stacking energy: -214.175
Base-Backbone interact. energy: -1.306
local terms energy: -237.984675
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -40.802
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -72.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -668.624909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.624909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.624909 (E_RNA)
where:
Base-Base interactions energy: -444.807
where: short stacking energy: -212.754
Base-Backbone interact. energy: 0.337
local terms energy: -224.154721
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -31.211
tors. eta vs tors. theta energy: -64.442
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: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -608.599966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.599966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.599966 (E_RNA)
where:
Base-Base interactions energy: -408.959
where: short stacking energy: -171.776
Base-Backbone interact. energy: -1.102
local terms energy: -198.539053
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -43.514
flat angles C4'-P-C4' energy: -40.928
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -48.483
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: 432
Temperature: 1.100000
Total energy: -547.307883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.307883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.307883 (E_RNA)
where:
Base-Base interactions energy: -350.627
where: short stacking energy: -153.806
Base-Backbone interact. energy: -2.010
local terms energy: -194.670771
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -43.544
flat angles P-C4'-P energy: -34.884
tors. eta vs tors. theta energy: -38.116
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: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -554.535043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.535043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.535043 (E_RNA)
where:
Base-Base interactions energy: -369.216
where: short stacking energy: -172.446
Base-Backbone interact. energy: 0.070
local terms energy: -185.389129
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -52.500
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: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -432.420327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.420327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.420327 (E_RNA)
where:
Base-Base interactions energy: -284.154
where: short stacking energy: -130.244
Base-Backbone interact. energy: -1.564
local terms energy: -146.701929
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -38.180
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -29.585
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -371.627395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.627395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.627395 (E_RNA)
where:
Base-Base interactions energy: -221.752
where: short stacking energy: -98.207
Base-Backbone interact. energy: 0.878
local terms energy: -150.753365
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -16.414
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -341.369009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.369009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.369009 (E_RNA)
where:
Base-Base interactions energy: -201.046
where: short stacking energy: -101.360
Base-Backbone interact. energy: -0.796
local terms energy: -139.526669
where:
bonds (distance) C4'-P energy: -41.540
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -182.086081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.086081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.086081 (E_RNA)
where:
Base-Base interactions energy: -73.486
where: short stacking energy: -62.200
Base-Backbone interact. energy: 2.196
local terms energy: -110.796574
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -737.747949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.747949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.747949 (E_RNA)
where:
Base-Base interactions energy: -491.546
where: short stacking energy: -211.613
Base-Backbone interact. energy: -1.535
local terms energy: -244.666691
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -42.317
flat angles C4'-P-C4' energy: -48.425
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -74.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -690.220931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.220931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.220931 (E_RNA)
where:
Base-Base interactions energy: -465.090
where: short stacking energy: -208.871
Base-Backbone interact. energy: -0.717
local terms energy: -224.414341
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -51.568
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -70.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -686.394258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.394258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.394258 (E_RNA)
where:
Base-Base interactions energy: -448.728
where: short stacking energy: -211.056
Base-Backbone interact. energy: -0.362
local terms energy: -237.304030
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -45.764
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -69.099
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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -609.242940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.242940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.242940 (E_RNA)
where:
Base-Base interactions energy: -407.766
where: short stacking energy: -169.289
Base-Backbone interact. energy: 0.897
local terms energy: -202.373845
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -42.095
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -535.361401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.361401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.361401 (E_RNA)
where:
Base-Base interactions energy: -350.117
where: short stacking energy: -151.662
Base-Backbone interact. energy: 1.944
local terms energy: -187.188769
where:
bonds (distance) C4'-P energy: -36.326
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -554.969906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.969906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.969906 (E_RNA)
where:
Base-Base interactions energy: -354.775
where: short stacking energy: -159.645
Base-Backbone interact. energy: 0.341
local terms energy: -200.535710
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -50.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -417.929793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.929793 (E_RNA)
where:
Base-Base interactions energy: -244.148
where: short stacking energy: -111.837
Base-Backbone interact. energy: -2.034
local terms energy: -171.747494
where:
bonds (distance) C4'-P energy: -36.987
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -385.995310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.995310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.995310 (E_RNA)
where:
Base-Base interactions energy: -230.733
where: short stacking energy: -113.145
Base-Backbone interact. energy: 3.927
local terms energy: -159.189839
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -349.110292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.110292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.110292 (E_RNA)
where:
Base-Base interactions energy: -201.215
where: short stacking energy: -99.980
Base-Backbone interact. energy: 0.317
local terms energy: -148.211770
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -191.487375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.487375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.487375 (E_RNA)
where:
Base-Base interactions energy: -68.296
where: short stacking energy: -64.927
Base-Backbone interact. energy: 0.408
local terms energy: -123.599774
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -724.933870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.933870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.933870 (E_RNA)
where:
Base-Base interactions energy: -492.520
where: short stacking energy: -220.874
Base-Backbone interact. energy: -0.921
local terms energy: -231.492808
where:
bonds (distance) C4'-P energy: -38.185
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -49.141
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -68.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -696.273597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.273597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.273597 (E_RNA)
where:
Base-Base interactions energy: -463.172
where: short stacking energy: -214.359
Base-Backbone interact. energy: -0.694
local terms energy: -232.407533
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -49.982
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -74.603
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -677.706312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.706312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.706312 (E_RNA)
where:
Base-Base interactions energy: -455.620
where: short stacking energy: -214.992
Base-Backbone interact. energy: -0.068
local terms energy: -222.018008
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -50.987
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -68.445
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -603.841370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.841370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.841370 (E_RNA)
where:
Base-Base interactions energy: -399.791
where: short stacking energy: -195.791
Base-Backbone interact. energy: -0.144
local terms energy: -203.906299
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -44.197
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -55.706
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -552.611354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.611354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.611354 (E_RNA)
where:
Base-Base interactions energy: -348.513
where: short stacking energy: -164.549
Base-Backbone interact. energy: -0.190
local terms energy: -203.908968
where:
bonds (distance) C4'-P energy: -44.996
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -43.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -557.275701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.275701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.275701 (E_RNA)
where:
Base-Base interactions energy: -365.648
where: short stacking energy: -143.144
Base-Backbone interact. energy: -1.504
local terms energy: -190.124211
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -35.027
flat angles C4'-P-C4' energy: -42.799
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -419.985868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.985868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.985868 (E_RNA)
where:
Base-Base interactions energy: -256.202
where: short stacking energy: -128.016
Base-Backbone interact. energy: -0.123
local terms energy: -163.660940
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -358.680115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.680115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.680115 (E_RNA)
where:
Base-Base interactions energy: -195.006
where: short stacking energy: -108.900
Base-Backbone interact. energy: -0.499
local terms energy: -163.174811
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -25.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -331.276396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.276396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.276396 (E_RNA)
where:
Base-Base interactions energy: -183.506
where: short stacking energy: -90.949
Base-Backbone interact. energy: -0.645
local terms energy: -147.126145
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -181.876734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876734 (E_RNA)
where:
Base-Base interactions energy: -61.075
where: short stacking energy: -56.277
Base-Backbone interact. energy: 2.609
local terms energy: -123.410951
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -737.288033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.288033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.288033 (E_RNA)
where:
Base-Base interactions energy: -508.305
where: short stacking energy: -236.506
Base-Backbone interact. energy: -0.122
local terms energy: -228.860354
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: -71.370
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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -687.684475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.684475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.684475 (E_RNA)
where:
Base-Base interactions energy: -454.342
where: short stacking energy: -217.555
Base-Backbone interact. energy: -0.675
local terms energy: -232.667900
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -47.298
flat angles C4'-P-C4' energy: -50.357
flat angles P-C4'-P energy: -32.011
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -681.151336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.151336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.151336 (E_RNA)
where:
Base-Base interactions energy: -449.361
where: short stacking energy: -204.504
Base-Backbone interact. energy: -0.604
local terms energy: -231.185485
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -47.431
flat angles C4'-P-C4' energy: -48.789
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -71.226
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: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -592.947935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.947935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.947935 (E_RNA)
where:
Base-Base interactions energy: -395.720
where: short stacking energy: -187.559
Base-Backbone interact. energy: -0.894
local terms energy: -196.334082
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: -50.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -555.364280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.364280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.364280 (E_RNA)
where:
Base-Base interactions energy: -378.163
where: short stacking energy: -175.861
Base-Backbone interact. energy: 0.625
local terms energy: -177.825924
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -47.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -494.352179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.352179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.352179 (E_RNA)
where:
Base-Base interactions energy: -326.733
where: short stacking energy: -150.420
Base-Backbone interact. energy: -0.171
local terms energy: -167.447930
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -42.139
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -37.671
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: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -425.159952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.159952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.159952 (E_RNA)
where:
Base-Base interactions energy: -265.771
where: short stacking energy: -118.190
Base-Backbone interact. energy: -0.883
local terms energy: -158.505998
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -322.065812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.065812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.065812 (E_RNA)
where:
Base-Base interactions energy: -187.732
where: short stacking energy: -78.898
Base-Backbone interact. energy: 1.511
local terms energy: -135.845131
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -338.695980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.695980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.695980 (E_RNA)
where:
Base-Base interactions energy: -191.153
where: short stacking energy: -95.942
Base-Backbone interact. energy: -1.021
local terms energy: -146.521321
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -200.698681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.698681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.698681 (E_RNA)
where:
Base-Base interactions energy: -81.079
where: short stacking energy: -68.418
Base-Backbone interact. energy: 0.187
local terms energy: -119.806705
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -730.068519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.068519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.068519 (E_RNA)
where:
Base-Base interactions energy: -496.680
where: short stacking energy: -233.010
Base-Backbone interact. energy: 0.763
local terms energy: -234.151341
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -75.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -695.537631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.537631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.537631 (E_RNA)
where:
Base-Base interactions energy: -464.617
where: short stacking energy: -204.243
Base-Backbone interact. energy: -0.297
local terms energy: -230.623083
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -71.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -658.976420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.976420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.976420 (E_RNA)
where:
Base-Base interactions energy: -427.584
where: short stacking energy: -192.501
Base-Backbone interact. energy: 1.253
local terms energy: -232.644869
where:
bonds (distance) C4'-P energy: -46.551
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -65.646
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: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -597.553834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.553834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.553834 (E_RNA)
where:
Base-Base interactions energy: -398.883
where: short stacking energy: -169.110
Base-Backbone interact. energy: -1.196
local terms energy: -197.474871
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -41.239
flat angles P-C4'-P energy: -31.308
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -592.730014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.730014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.730014 (E_RNA)
where:
Base-Base interactions energy: -392.388
where: short stacking energy: -189.877
Base-Backbone interact. energy: -0.140
local terms energy: -200.202213
where:
bonds (distance) C4'-P energy: -41.954
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -49.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -505.588046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.588046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.588046 (E_RNA)
where:
Base-Base interactions energy: -344.129
where: short stacking energy: -161.097
Base-Backbone interact. energy: -0.133
local terms energy: -161.326433
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -37.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -415.713873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.713873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.713873 (E_RNA)
where:
Base-Base interactions energy: -255.115
where: short stacking energy: -139.622
Base-Backbone interact. energy: -1.008
local terms energy: -159.591420
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -40.928
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -23.475
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -352.713595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.713595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.713595 (E_RNA)
where:
Base-Base interactions energy: -198.337
where: short stacking energy: -111.446
Base-Backbone interact. energy: -0.654
local terms energy: -153.722256
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -314.865592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.865592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.865592 (E_RNA)
where:
Base-Base interactions energy: -187.094
where: short stacking energy: -84.266
Base-Backbone interact. energy: -0.661
local terms energy: -127.110655
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -182.553873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.553873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.553873 (E_RNA)
where:
Base-Base interactions energy: -55.142
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.965
local terms energy: -126.447811
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: 2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -739.174594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.174594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.174594 (E_RNA)
where:
Base-Base interactions energy: -501.805
where: short stacking energy: -226.127
Base-Backbone interact. energy: -0.015
local terms energy: -237.354774
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -48.782
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -67.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -700.331751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.331751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.331751 (E_RNA)
where:
Base-Base interactions energy: -465.951
where: short stacking energy: -213.536
Base-Backbone interact. energy: -0.563
local terms energy: -233.817799
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -68.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -650.436261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.436261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.436261 (E_RNA)
where:
Base-Base interactions energy: -433.037
where: short stacking energy: -193.170
Base-Backbone interact. energy: -1.464
local terms energy: -215.935652
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -590.278737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.278737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.278737 (E_RNA)
where:
Base-Base interactions energy: -381.364
where: short stacking energy: -160.174
Base-Backbone interact. energy: -0.663
local terms energy: -208.252271
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: -44.161
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: 437
Temperature: 1.100000
Total energy: -549.731882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.731882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.731882 (E_RNA)
where:
Base-Base interactions energy: -358.257
where: short stacking energy: -148.262
Base-Backbone interact. energy: -0.242
local terms energy: -191.232040
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -30.041
tors. eta vs tors. theta energy: -43.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -529.575718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.575718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.575718 (E_RNA)
where:
Base-Base interactions energy: -346.860
where: short stacking energy: -152.246
Base-Backbone interact. energy: -0.623
local terms energy: -182.092719
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -37.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -421.310583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.310583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.310583 (E_RNA)
where:
Base-Base interactions energy: -266.601
where: short stacking energy: -120.201
Base-Backbone interact. energy: 0.692
local terms energy: -155.401193
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -44.728
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -27.007
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -354.948133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.948133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.948133 (E_RNA)
where:
Base-Base interactions energy: -211.052
where: short stacking energy: -110.811
Base-Backbone interact. energy: -1.061
local terms energy: -142.834982
where:
bonds (distance) C4'-P energy: -34.858
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -374.507287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.507287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.507287 (E_RNA)
where:
Base-Base interactions energy: -226.747
where: short stacking energy: -96.343
Base-Backbone interact. energy: 0.573
local terms energy: -148.332683
where:
bonds (distance) C4'-P energy: -40.661
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -181.292050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.292050 (E_RNA)
where:
Base-Base interactions energy: -59.333
where: short stacking energy: -46.998
Base-Backbone interact. energy: 2.940
local terms energy: -124.898797
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: 5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -743.863720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.863720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.863720 (E_RNA)
where:
Base-Base interactions energy: -505.480
where: short stacking energy: -224.948
Base-Backbone interact. energy: -0.780
local terms energy: -237.604267
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -49.774
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -72.969
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -703.617400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.617400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.617400 (E_RNA)
where:
Base-Base interactions energy: -467.569
where: short stacking energy: -209.412
Base-Backbone interact. energy: 1.270
local terms energy: -237.318520
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -72.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -664.119986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.119986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.119986 (E_RNA)
where:
Base-Base interactions energy: -444.374
where: short stacking energy: -199.330
Base-Backbone interact. energy: -0.366
local terms energy: -219.379709
where:
bonds (distance) C4'-P energy: -41.202
bonds (distance) P-C4' energy: -40.623
flat angles C4'-P-C4' energy: -46.698
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -58.026
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -572.413293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.413293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.413293 (E_RNA)
where:
Base-Base interactions energy: -398.655
where: short stacking energy: -172.855
Base-Backbone interact. energy: -0.656
local terms energy: -173.102279
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -505.220718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.220718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.220718 (E_RNA)
where:
Base-Base interactions energy: -321.937
where: short stacking energy: -146.758
Base-Backbone interact. energy: -0.655
local terms energy: -182.628932
where:
bonds (distance) C4'-P energy: -40.303
bonds (distance) P-C4' energy: -39.073
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -34.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -534.581776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.581776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.581776 (E_RNA)
where:
Base-Base interactions energy: -367.280
where: short stacking energy: -151.581
Base-Backbone interact. energy: -1.195
local terms energy: -166.107175
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -38.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -418.152665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.152665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.152665 (E_RNA)
where:
Base-Base interactions energy: -247.946
where: short stacking energy: -127.120
Base-Backbone interact. energy: -1.042
local terms energy: -169.164058
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -46.261
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -26.597
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: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -343.069022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.069022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.069022 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -93.843
Base-Backbone interact. energy: -1.331
local terms energy: -145.418504
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -39.638
flat angles P-C4'-P energy: -27.882
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -384.659537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.659537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.659537 (E_RNA)
where:
Base-Base interactions energy: -228.886
where: short stacking energy: -90.039
Base-Backbone interact. energy: -0.184
local terms energy: -155.588896
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -267.164904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.164904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.164904 (E_RNA)
where:
Base-Base interactions energy: -143.940
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.773
local terms energy: -122.451619
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -738.963293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.963293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.963293 (E_RNA)
where:
Base-Base interactions energy: -498.152
where: short stacking energy: -213.732
Base-Backbone interact. energy: 0.797
local terms energy: -241.607880
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -70.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -705.715384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.715384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.715384 (E_RNA)
where:
Base-Base interactions energy: -467.609
where: short stacking energy: -215.310
Base-Backbone interact. energy: -0.247
local terms energy: -237.859551
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -70.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -663.544522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.544522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.544522 (E_RNA)
where:
Base-Base interactions energy: -446.388
where: short stacking energy: -209.378
Base-Backbone interact. energy: -0.642
local terms energy: -216.514371
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -63.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -606.861973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.861973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.861973 (E_RNA)
where:
Base-Base interactions energy: -409.531
where: short stacking energy: -178.956
Base-Backbone interact. energy: -0.077
local terms energy: -197.253825
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -55.256
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: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -526.499164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.499164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.499164 (E_RNA)
where:
Base-Base interactions energy: -332.467
where: short stacking energy: -150.813
Base-Backbone interact. energy: -0.343
local terms energy: -193.689102
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -41.788
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -48.639
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -537.911782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.911782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.911782 (E_RNA)
where:
Base-Base interactions energy: -353.746
where: short stacking energy: -137.474
Base-Backbone interact. energy: -1.422
local terms energy: -182.743703
where:
bonds (distance) C4'-P energy: -32.944
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -42.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -422.180377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.180377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.180377 (E_RNA)
where:
Base-Base interactions energy: -263.041
where: short stacking energy: -127.822
Base-Backbone interact. energy: -0.930
local terms energy: -158.209545
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -308.674861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.674861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.674861 (E_RNA)
where:
Base-Base interactions energy: -178.199
where: short stacking energy: -80.258
Base-Backbone interact. energy: 0.087
local terms energy: -130.562578
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -333.386965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.386965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.386965 (E_RNA)
where:
Base-Base interactions energy: -195.032
where: short stacking energy: -90.727
Base-Backbone interact. energy: 0.297
local terms energy: -138.652100
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -42.518
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -10.980
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: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -302.571555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.571555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.571555 (E_RNA)
where:
Base-Base interactions energy: -180.422
where: short stacking energy: -91.662
Base-Backbone interact. energy: -1.015
local terms energy: -121.134893
where:
bonds (distance) C4'-P energy: -35.446
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -5.981
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: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -739.972462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.972462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.972462 (E_RNA)
where:
Base-Base interactions energy: -499.829
where: short stacking energy: -219.135
Base-Backbone interact. energy: -0.679
local terms energy: -239.464148
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -44.189
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -71.894
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: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -706.062927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.062927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.062927 (E_RNA)
where:
Base-Base interactions energy: -469.138
where: short stacking energy: -223.889
Base-Backbone interact. energy: -0.253
local terms energy: -236.671680
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -38.678
flat angles C4'-P-C4' energy: -45.402
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -72.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -663.096552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.096552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.096552 (E_RNA)
where:
Base-Base interactions energy: -442.479
where: short stacking energy: -206.278
Base-Backbone interact. energy: 2.493
local terms energy: -223.111484
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -45.844
flat angles P-C4'-P energy: -31.694
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -619.258341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.258341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.258341 (E_RNA)
where:
Base-Base interactions energy: -419.938
where: short stacking energy: -193.055
Base-Backbone interact. energy: -0.050
local terms energy: -199.270148
where:
bonds (distance) C4'-P energy: -34.995
bonds (distance) P-C4' energy: -46.458
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -56.701
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -552.350399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.350399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.350399 (E_RNA)
where:
Base-Base interactions energy: -370.491
where: short stacking energy: -145.557
Base-Backbone interact. energy: -1.260
local terms energy: -180.599690
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -42.604
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: 440
Temperature: 1.150000
Total energy: -530.330287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.330287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.330287 (E_RNA)
where:
Base-Base interactions energy: -341.732
where: short stacking energy: -172.134
Base-Backbone interact. energy: -0.131
local terms energy: -188.466502
where:
bonds (distance) C4'-P energy: -44.191
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -25.348
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: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -422.545876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.545876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.545876 (E_RNA)
where:
Base-Base interactions energy: -263.616
where: short stacking energy: -125.920
Base-Backbone interact. energy: -0.141
local terms energy: -158.788767
where:
bonds (distance) C4'-P energy: -33.491
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -319.277962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.277962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.277962 (E_RNA)
where:
Base-Base interactions energy: -165.661
where: short stacking energy: -91.250
Base-Backbone interact. energy: 0.335
local terms energy: -153.951651
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -46.037
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -358.296612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.296612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.296612 (E_RNA)
where:
Base-Base interactions energy: -217.505
where: short stacking energy: -101.948
Base-Backbone interact. energy: 1.182
local terms energy: -141.973768
where:
bonds (distance) C4'-P energy: -40.195
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -316.298922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.298922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.298922 (E_RNA)
where:
Base-Base interactions energy: -163.433
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.813
local terms energy: -152.053524
where:
bonds (distance) C4'-P energy: -40.694
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -731.114717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.114717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.114717 (E_RNA)
where:
Base-Base interactions energy: -492.116
where: short stacking energy: -207.991
Base-Backbone interact. energy: -0.801
local terms energy: -238.198069
where:
bonds (distance) C4'-P energy: -40.671
bonds (distance) P-C4' energy: -43.772
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -69.268
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -701.940473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.940473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.940473 (E_RNA)
where:
Base-Base interactions energy: -476.032
where: short stacking energy: -215.660
Base-Backbone interact. energy: -1.881
local terms energy: -224.026842
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -39.767
flat angles C4'-P-C4' energy: -43.194
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -70.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -688.098940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.098940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.098940 (E_RNA)
where:
Base-Base interactions energy: -452.466
where: short stacking energy: -201.026
Base-Backbone interact. energy: -1.483
local terms energy: -234.149814
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -43.501
flat angles C4'-P-C4' energy: -44.864
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -66.604
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: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -594.094085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.094085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.094085 (E_RNA)
where:
Base-Base interactions energy: -387.670
where: short stacking energy: -171.016
Base-Backbone interact. energy: -0.424
local terms energy: -206.000519
where:
bonds (distance) C4'-P energy: -39.080
bonds (distance) P-C4' energy: -40.980
flat angles C4'-P-C4' energy: -46.307
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -49.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -560.953606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.953606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.953606 (E_RNA)
where:
Base-Base interactions energy: -364.823
where: short stacking energy: -154.935
Base-Backbone interact. energy: -0.610
local terms energy: -195.520449
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -46.418
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: -44.751
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: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -524.411363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.411363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.411363 (E_RNA)
where:
Base-Base interactions energy: -339.879
where: short stacking energy: -159.603
Base-Backbone interact. energy: -1.754
local terms energy: -182.778882
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -34.009
flat angles C4'-P-C4' energy: -47.119
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -37.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -401.768115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.768115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.768115 (E_RNA)
where:
Base-Base interactions energy: -243.674
where: short stacking energy: -116.749
Base-Backbone interact. energy: -0.181
local terms energy: -157.913925
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -340.974582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.974582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.974582 (E_RNA)
where:
Base-Base interactions energy: -190.166
where: short stacking energy: -98.646
Base-Backbone interact. energy: -1.219
local terms energy: -149.589856
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -43.303
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -275.024148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.024148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.024148 (E_RNA)
where:
Base-Base interactions energy: -134.638
where: short stacking energy: -78.427
Base-Backbone interact. energy: 0.047
local terms energy: -140.432538
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -30.350
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -302.044712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.044712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.044712 (E_RNA)
where:
Base-Base interactions energy: -160.410
where: short stacking energy: -80.528
Base-Backbone interact. energy: 4.030
local terms energy: -145.665194
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -41.175
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -735.448498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.448498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.448498 (E_RNA)
where:
Base-Base interactions energy: -508.863
where: short stacking energy: -219.842
Base-Backbone interact. energy: 0.561
local terms energy: -227.147038
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -48.489
flat angles P-C4'-P energy: -30.317
tors. eta vs tors. theta energy: -67.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -703.623007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.623007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.623007 (E_RNA)
where:
Base-Base interactions energy: -476.896
where: short stacking energy: -210.974
Base-Backbone interact. energy: -0.321
local terms energy: -226.406213
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -66.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -673.601493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.601493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.601493 (E_RNA)
where:
Base-Base interactions energy: -440.952
where: short stacking energy: -198.379
Base-Backbone interact. energy: 0.152
local terms energy: -232.801960
where:
bonds (distance) C4'-P energy: -40.627
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -48.194
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -69.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -607.089882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.089882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.089882 (E_RNA)
where:
Base-Base interactions energy: -388.085
where: short stacking energy: -161.846
Base-Backbone interact. energy: -1.149
local terms energy: -217.855989
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -48.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -578.594575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.594575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.594575 (E_RNA)
where:
Base-Base interactions energy: -392.227
where: short stacking energy: -173.253
Base-Backbone interact. energy: -0.917
local terms energy: -185.449760
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -26.857
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -499.457429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.457429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.457429 (E_RNA)
where:
Base-Base interactions energy: -316.374
where: short stacking energy: -145.645
Base-Backbone interact. energy: -0.848
local terms energy: -182.235328
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -36.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -383.969675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.969675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.969675 (E_RNA)
where:
Base-Base interactions energy: -236.283
where: short stacking energy: -100.716
Base-Backbone interact. energy: -0.756
local terms energy: -146.930143
where:
bonds (distance) C4'-P energy: -38.459
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -12.318
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -336.521838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.521838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.521838 (E_RNA)
where:
Base-Base interactions energy: -196.479
where: short stacking energy: -104.388
Base-Backbone interact. energy: -1.233
local terms energy: -138.809711
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -11.803
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: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -382.530040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.530040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.530040 (E_RNA)
where:
Base-Base interactions energy: -231.449
where: short stacking energy: -95.117
Base-Backbone interact. energy: 1.393
local terms energy: -152.474022
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -286.471941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.471941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.471941 (E_RNA)
where:
Base-Base interactions energy: -156.024
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.168
local terms energy: -130.279811
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -2.136
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: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -741.227996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.227996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.227996 (E_RNA)
where:
Base-Base interactions energy: -509.608
where: short stacking energy: -233.615
Base-Backbone interact. energy: 0.490
local terms energy: -232.109263
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -70.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -693.199474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.199474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.199474 (E_RNA)
where:
Base-Base interactions energy: -461.717
where: short stacking energy: -202.852
Base-Backbone interact. energy: -0.446
local terms energy: -231.036024
where:
bonds (distance) C4'-P energy: -42.169
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: -71.019
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: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -674.369890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.369890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.369890 (E_RNA)
where:
Base-Base interactions energy: -455.401
where: short stacking energy: -197.123
Base-Backbone interact. energy: -0.333
local terms energy: -218.635802
where:
bonds (distance) C4'-P energy: -40.148
bonds (distance) P-C4' energy: -41.115
flat angles C4'-P-C4' energy: -48.464
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -63.702
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: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -617.355617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.355617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.355617 (E_RNA)
where:
Base-Base interactions energy: -411.215
where: short stacking energy: -189.048
Base-Backbone interact. energy: -0.519
local terms energy: -205.621226
where:
bonds (distance) C4'-P energy: -38.654
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -587.494862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.494862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.494862 (E_RNA)
where:
Base-Base interactions energy: -391.876
where: short stacking energy: -188.259
Base-Backbone interact. energy: -0.295
local terms energy: -195.324340
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -44.050
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -54.168
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -517.477558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.477558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.477558 (E_RNA)
where:
Base-Base interactions energy: -342.569
where: short stacking energy: -139.119
Base-Backbone interact. energy: -0.040
local terms energy: -174.868428
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -404.367215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.367215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.367215 (E_RNA)
where:
Base-Base interactions energy: -236.883
where: short stacking energy: -116.344
Base-Backbone interact. energy: -1.825
local terms energy: -165.658476
where:
bonds (distance) C4'-P energy: -37.247
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -375.638038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.638038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.638038 (E_RNA)
where:
Base-Base interactions energy: -199.144
where: short stacking energy: -119.249
Base-Backbone interact. energy: -0.243
local terms energy: -176.250351
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -36.040
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -31.438
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: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -341.231296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.231296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.231296 (E_RNA)
where:
Base-Base interactions energy: -203.044
where: short stacking energy: -113.553
Base-Backbone interact. energy: 1.318
local terms energy: -139.504878
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -40.671
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -286.166987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.166987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.166987 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.393
local terms energy: -139.247771
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -713.946560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.946560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.946560 (E_RNA)
where:
Base-Base interactions energy: -474.657
where: short stacking energy: -224.260
Base-Backbone interact. energy: -0.196
local terms energy: -239.093453
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -51.127
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -76.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -735.356652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.356652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.356652 (E_RNA)
where:
Base-Base interactions energy: -496.597
where: short stacking energy: -222.566
Base-Backbone interact. energy: -1.420
local terms energy: -237.339678
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -40.503
flat angles C4'-P-C4' energy: -43.300
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -73.854
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: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -677.537377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.537377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.537377 (E_RNA)
where:
Base-Base interactions energy: -449.527
where: short stacking energy: -205.067
Base-Backbone interact. energy: -0.008
local terms energy: -228.002157
where:
bonds (distance) C4'-P energy: -41.964
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -69.335
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -600.573271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.573271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.573271 (E_RNA)
where:
Base-Base interactions energy: -387.187
where: short stacking energy: -178.001
Base-Backbone interact. energy: -0.754
local terms energy: -212.632643
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -52.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -597.162343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.162343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.162343 (E_RNA)
where:
Base-Base interactions energy: -393.831
where: short stacking energy: -182.312
Base-Backbone interact. energy: -0.555
local terms energy: -202.776283
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -57.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -567.418089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.418089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.418089 (E_RNA)
where:
Base-Base interactions energy: -384.910
where: short stacking energy: -162.346
Base-Backbone interact. energy: -1.082
local terms energy: -181.426574
where:
bonds (distance) C4'-P energy: -36.750
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -35.985
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: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -416.014736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.014736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.014736 (E_RNA)
where:
Base-Base interactions energy: -258.631
where: short stacking energy: -129.041
Base-Backbone interact. energy: -0.178
local terms energy: -157.205570
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -35.381
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -351.253393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.253393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.253393 (E_RNA)
where:
Base-Base interactions energy: -187.146
where: short stacking energy: -97.293
Base-Backbone interact. energy: -1.383
local terms energy: -162.724336
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -37.601
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -345.218368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.218368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.218368 (E_RNA)
where:
Base-Base interactions energy: -205.180
where: short stacking energy: -114.450
Base-Backbone interact. energy: -0.669
local terms energy: -139.369294
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -323.862391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.862391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.862391 (E_RNA)
where:
Base-Base interactions energy: -173.781
where: short stacking energy: -93.530
Base-Backbone interact. energy: 0.174
local terms energy: -150.255994
where:
bonds (distance) C4'-P energy: -36.328
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -40.308
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -733.069359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.069359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.069359 (E_RNA)
where:
Base-Base interactions energy: -482.338
where: short stacking energy: -238.270
Base-Backbone interact. energy: 2.051
local terms energy: -252.782441
where:
bonds (distance) C4'-P energy: -41.510
bonds (distance) P-C4' energy: -49.714
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -29.368
tors. eta vs tors. theta energy: -76.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -735.514293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.514293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.514293 (E_RNA)
where:
Base-Base interactions energy: -492.371
where: short stacking energy: -226.730
Base-Backbone interact. energy: -0.798
local terms energy: -242.345300
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: -74.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -674.357873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.357873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.357873 (E_RNA)
where:
Base-Base interactions energy: -447.640
where: short stacking energy: -205.619
Base-Backbone interact. energy: -0.254
local terms energy: -226.464123
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -69.415
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: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -617.223071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.223071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.223071 (E_RNA)
where:
Base-Base interactions energy: -410.077
where: short stacking energy: -199.430
Base-Backbone interact. energy: -0.236
local terms energy: -206.909917
where:
bonds (distance) C4'-P energy: -39.471
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -48.938
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -60.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -605.100931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.100931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.100931 (E_RNA)
where:
Base-Base interactions energy: -405.828
where: short stacking energy: -167.291
Base-Backbone interact. energy: -1.153
local terms energy: -198.120155
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -44.463
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -43.905
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: 445
Temperature: 1.150000
Total energy: -545.569411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.569411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.569411 (E_RNA)
where:
Base-Base interactions energy: -358.881
where: short stacking energy: -136.186
Base-Backbone interact. energy: -0.708
local terms energy: -185.980759
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -43.230
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -35.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -438.022255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.022255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.022255 (E_RNA)
where:
Base-Base interactions energy: -265.023
where: short stacking energy: -135.303
Base-Backbone interact. energy: 0.896
local terms energy: -173.895066
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -34.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -353.190712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.190712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.190712 (E_RNA)
where:
Base-Base interactions energy: -209.384
where: short stacking energy: -111.862
Base-Backbone interact. energy: -0.608
local terms energy: -143.198935
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -330.217393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.217393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.217393 (E_RNA)
where:
Base-Base interactions energy: -176.464
where: short stacking energy: -84.655
Base-Backbone interact. energy: 0.492
local terms energy: -154.244840
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -36.351
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -317.799235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.799235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.799235 (E_RNA)
where:
Base-Base interactions energy: -167.671
where: short stacking energy: -84.794
Base-Backbone interact. energy: -0.669
local terms energy: -149.459310
where:
bonds (distance) C4'-P energy: -43.668
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -23.604
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: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -741.691889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.691889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.691889 (E_RNA)
where:
Base-Base interactions energy: -505.994
where: short stacking energy: -221.808
Base-Backbone interact. energy: -0.759
local terms energy: -234.939259
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -71.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -712.676144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.676144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.676144 (E_RNA)
where:
Base-Base interactions energy: -475.061
where: short stacking energy: -225.833
Base-Backbone interact. energy: -0.816
local terms energy: -236.798479
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -43.686
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -33.172
tors. eta vs tors. theta energy: -66.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -699.257322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.257322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.257322 (E_RNA)
where:
Base-Base interactions energy: -472.356
where: short stacking energy: -215.695
Base-Backbone interact. energy: -0.016
local terms energy: -226.885256
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -40.632
tors. eta vs tors. theta energy: -69.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -611.512518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.512518 (E_RNA)
where:
Base-Base interactions energy: -395.403
where: short stacking energy: -182.053
Base-Backbone interact. energy: -0.388
local terms energy: -215.721644
where:
bonds (distance) C4'-P energy: -41.152
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -44.978
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -56.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -611.229730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.229730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.229730 (E_RNA)
where:
Base-Base interactions energy: -413.728
where: short stacking energy: -175.253
Base-Backbone interact. energy: -0.098
local terms energy: -197.404671
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -543.366183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.366183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.366183 (E_RNA)
where:
Base-Base interactions energy: -355.534
where: short stacking energy: -155.429
Base-Backbone interact. energy: -0.776
local terms energy: -187.055810
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -40.386
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -410.424737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.424737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.424737 (E_RNA)
where:
Base-Base interactions energy: -249.084
where: short stacking energy: -125.057
Base-Backbone interact. energy: -0.816
local terms energy: -160.525448
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -43.888
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -362.958407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.958407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.958407 (E_RNA)
where:
Base-Base interactions energy: -222.834
where: short stacking energy: -115.632
Base-Backbone interact. energy: -1.759
local terms energy: -138.364973
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -24.392
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: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -316.025386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.025386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.025386 (E_RNA)
where:
Base-Base interactions energy: -183.573
where: short stacking energy: -95.687
Base-Backbone interact. energy: -1.266
local terms energy: -131.186125
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -276.845079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.845079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.845079 (E_RNA)
where:
Base-Base interactions energy: -137.764
where: short stacking energy: -74.152
Base-Backbone interact. energy: -1.004
local terms energy: -138.076917
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -737.136740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.136740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.136740 (E_RNA)
where:
Base-Base interactions energy: -501.387
where: short stacking energy: -215.682
Base-Backbone interact. energy: -0.111
local terms energy: -235.638454
where:
bonds (distance) C4'-P energy: -39.965
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -45.503
flat angles P-C4'-P energy: -32.753
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -681.242212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.242212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.242212 (E_RNA)
where:
Base-Base interactions energy: -449.560
where: short stacking energy: -207.686
Base-Backbone interact. energy: 1.174
local terms energy: -232.856540
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -49.574
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -65.805
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -706.898907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.898907 (E_RNA)
where:
Base-Base interactions energy: -456.112
where: short stacking energy: -214.844
Base-Backbone interact. energy: -0.480
local terms energy: -250.307135
where:
bonds (distance) C4'-P energy: -44.314
bonds (distance) P-C4' energy: -46.137
flat angles C4'-P-C4' energy: -52.283
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -70.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -618.464484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.464484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.464484 (E_RNA)
where:
Base-Base interactions energy: -432.986
where: short stacking energy: -192.320
Base-Backbone interact. energy: -0.516
local terms energy: -184.962854
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -52.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -586.286128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.286128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.286128 (E_RNA)
where:
Base-Base interactions energy: -395.922
where: short stacking energy: -174.786
Base-Backbone interact. energy: -0.565
local terms energy: -189.799021
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -30.842
tors. eta vs tors. theta energy: -55.126
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: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -560.839685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.839685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.839685 (E_RNA)
where:
Base-Base interactions energy: -386.369
where: short stacking energy: -148.985
Base-Backbone interact. energy: -1.539
local terms energy: -172.931855
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -28.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -406.501918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.501918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.501918 (E_RNA)
where:
Base-Base interactions energy: -244.885
where: short stacking energy: -120.942
Base-Backbone interact. energy: -0.580
local terms energy: -161.036749
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -340.386348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.386348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.386348 (E_RNA)
where:
Base-Base interactions energy: -182.753
where: short stacking energy: -97.734
Base-Backbone interact. energy: 0.489
local terms energy: -158.122201
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -347.875525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.875525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.875525 (E_RNA)
where:
Base-Base interactions energy: -195.487
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.191
local terms energy: -152.197647
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -39.306
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -289.633060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.633060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.633060 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -84.331
Base-Backbone interact. energy: 0.930
local terms energy: -137.809951
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -734.007348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.007348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.007348 (E_RNA)
where:
Base-Base interactions energy: -498.420
where: short stacking energy: -215.992
Base-Backbone interact. energy: -0.112
local terms energy: -235.474683
where:
bonds (distance) C4'-P energy: -39.011
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -36.167
tors. eta vs tors. theta energy: -72.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -697.744750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.744750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.744750 (E_RNA)
where:
Base-Base interactions energy: -468.985
where: short stacking energy: -217.030
Base-Backbone interact. energy: -0.633
local terms energy: -228.126720
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -65.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -686.116648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.116648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.116648 (E_RNA)
where:
Base-Base interactions energy: -451.964
where: short stacking energy: -204.699
Base-Backbone interact. energy: -0.432
local terms energy: -233.721117
where:
bonds (distance) C4'-P energy: -44.335
bonds (distance) P-C4' energy: -43.004
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -67.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -608.589235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.589235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.589235 (E_RNA)
where:
Base-Base interactions energy: -384.540
where: short stacking energy: -175.803
Base-Backbone interact. energy: -0.129
local terms energy: -223.920136
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -44.051
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -54.787
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: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -584.464860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.464860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.464860 (E_RNA)
where:
Base-Base interactions energy: -405.466
where: short stacking energy: -157.342
Base-Backbone interact. energy: -1.145
local terms energy: -177.854525
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -39.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -587.930833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.930833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.930833 (E_RNA)
where:
Base-Base interactions energy: -374.816
where: short stacking energy: -162.909
Base-Backbone interact. energy: -0.091
local terms energy: -213.024109
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -45.498
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -54.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -450.744630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.744630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.744630 (E_RNA)
where:
Base-Base interactions energy: -307.858
where: short stacking energy: -135.354
Base-Backbone interact. energy: 0.295
local terms energy: -143.182205
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -35.289
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -24.192
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: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -333.245348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.245348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.245348 (E_RNA)
where:
Base-Base interactions energy: -200.207
where: short stacking energy: -93.871
Base-Backbone interact. energy: -0.371
local terms energy: -132.667350
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -11.941
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: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -375.233520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.233520 (E_RNA)
where:
Base-Base interactions energy: -211.721
where: short stacking energy: -112.115
Base-Backbone interact. energy: -0.251
local terms energy: -163.261962
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -24.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -264.209539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.209539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.209539 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.696
local terms energy: -117.105092
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: 0.817
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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -739.131196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.131196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.131196 (E_RNA)
where:
Base-Base interactions energy: -509.036
where: short stacking energy: -214.244
Base-Backbone interact. energy: -0.812
local terms energy: -229.282965
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -38.988
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -67.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -706.726579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.726579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.726579 (E_RNA)
where:
Base-Base interactions energy: -468.710
where: short stacking energy: -211.673
Base-Backbone interact. energy: -0.566
local terms energy: -237.450698
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -72.749
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: 449
Temperature: 1.000000
Total energy: -679.861462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.861462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.861462 (E_RNA)
where:
Base-Base interactions energy: -448.328
where: short stacking energy: -212.541
Base-Backbone interact. energy: -0.262
local terms energy: -231.271038
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -49.630
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -66.368
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: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -605.535923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.535923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.535923 (E_RNA)
where:
Base-Base interactions energy: -407.344
where: short stacking energy: -176.227
Base-Backbone interact. energy: -2.234
local terms energy: -195.958493
where:
bonds (distance) C4'-P energy: -43.995
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -42.116
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -43.400
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -578.744297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.744297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.744297 (E_RNA)
where:
Base-Base interactions energy: -371.828
where: short stacking energy: -178.491
Base-Backbone interact. energy: -0.120
local terms energy: -206.796140
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -52.122
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: 449
Temperature: 1.150000
Total energy: -600.737522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.737522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.737522 (E_RNA)
where:
Base-Base interactions energy: -399.795
where: short stacking energy: -177.688
Base-Backbone interact. energy: -1.005
local terms energy: -199.937075
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -50.503
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -467.031954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.031954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.031954 (E_RNA)
where:
Base-Base interactions energy: -297.656
where: short stacking energy: -132.338
Base-Backbone interact. energy: 0.000
local terms energy: -169.376436
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -35.065
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -353.363877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.363877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.363877 (E_RNA)
where:
Base-Base interactions energy: -213.539
where: short stacking energy: -112.770
Base-Backbone interact. energy: 0.289
local terms energy: -140.113531
where:
bonds (distance) C4'-P energy: -34.936
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -332.855444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.855444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.855444 (E_RNA)
where:
Base-Base interactions energy: -181.667
where: short stacking energy: -88.013
Base-Backbone interact. energy: -0.421
local terms energy: -150.768123
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -284.374522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.374522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.374522 (E_RNA)
where:
Base-Base interactions energy: -167.660
where: short stacking energy: -83.713
Base-Backbone interact. energy: -0.273
local terms energy: -116.441422
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -34.337
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: 4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -730.169786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.169786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.169786 (E_RNA)
where:
Base-Base interactions energy: -498.445
where: short stacking energy: -212.874
Base-Backbone interact. energy: -0.331
local terms energy: -231.393382
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -39.334
flat angles C4'-P-C4' energy: -48.928
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -65.585
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: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -711.371107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.371107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.371107 (E_RNA)
where:
Base-Base interactions energy: -489.189
where: short stacking energy: -232.449
Base-Backbone interact. energy: -0.397
local terms energy: -221.784970
where:
bonds (distance) C4'-P energy: -35.259
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -71.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -679.927512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.927512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.927512 (E_RNA)
where:
Base-Base interactions energy: -443.985
where: short stacking energy: -209.133
Base-Backbone interact. energy: -0.903
local terms energy: -235.040057
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -45.926
flat angles P-C4'-P energy: -34.023
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: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -614.817670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.817670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.817670 (E_RNA)
where:
Base-Base interactions energy: -422.905
where: short stacking energy: -187.405
Base-Backbone interact. energy: -1.089
local terms energy: -190.823200
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -40.610
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -45.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -592.943237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.943237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.943237 (E_RNA)
where:
Base-Base interactions energy: -390.425
where: short stacking energy: -159.755
Base-Backbone interact. energy: -0.904
local terms energy: -201.614395
where:
bonds (distance) C4'-P energy: -43.539
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -49.577
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: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -503.895148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.895148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.895148 (E_RNA)
where:
Base-Base interactions energy: -318.846
where: short stacking energy: -133.642
Base-Backbone interact. energy: -1.074
local terms energy: -183.975562
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -44.195
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -459.418840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.418840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.418840 (E_RNA)
where:
Base-Base interactions energy: -300.813
where: short stacking energy: -127.402
Base-Backbone interact. energy: -0.163
local terms energy: -158.442345
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -42.914
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: -30.810
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: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -389.891363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.891363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.891363 (E_RNA)
where:
Base-Base interactions energy: -248.370
where: short stacking energy: -116.752
Base-Backbone interact. energy: 0.193
local terms energy: -141.713482
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -24.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -329.225713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.225713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.225713 (E_RNA)
where:
Base-Base interactions energy: -173.287
where: short stacking energy: -95.192
Base-Backbone interact. energy: -0.409
local terms energy: -155.529419
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -301.736459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.736459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.736459 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.508
local terms energy: -122.361813
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -4.511
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: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -736.683585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.683585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.683585 (E_RNA)
where:
Base-Base interactions energy: -506.559
where: short stacking energy: -226.594
Base-Backbone interact. energy: -1.333
local terms energy: -228.791750
where:
bonds (distance) C4'-P energy: -44.736
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -31.333
tors. eta vs tors. theta energy: -67.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -690.317620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.317620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.317620 (E_RNA)
where:
Base-Base interactions energy: -456.948
where: short stacking energy: -209.445
Base-Backbone interact. energy: -0.610
local terms energy: -232.759611
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -44.596
flat angles C4'-P-C4' energy: -50.602
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -64.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -676.514239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.514239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.514239 (E_RNA)
where:
Base-Base interactions energy: -454.361
where: short stacking energy: -206.325
Base-Backbone interact. energy: 2.340
local terms energy: -224.493241
where:
bonds (distance) C4'-P energy: -38.707
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -71.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -643.107765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.107765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.107765 (E_RNA)
where:
Base-Base interactions energy: -446.695
where: short stacking energy: -171.091
Base-Backbone interact. energy: -1.437
local terms energy: -194.975646
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -39.374
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -48.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -580.833424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.833424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.833424 (E_RNA)
where:
Base-Base interactions energy: -382.163
where: short stacking energy: -151.317
Base-Backbone interact. energy: -1.070
local terms energy: -197.600950
where:
bonds (distance) C4'-P energy: -44.197
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -43.389
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -514.225691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.225691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.225691 (E_RNA)
where:
Base-Base interactions energy: -326.651
where: short stacking energy: -142.583
Base-Backbone interact. energy: -1.190
local terms energy: -186.385411
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -40.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -442.801322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.801322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.801322 (E_RNA)
where:
Base-Base interactions energy: -280.949
where: short stacking energy: -139.938
Base-Backbone interact. energy: 0.560
local terms energy: -162.412713
where:
bonds (distance) C4'-P energy: -34.966
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -41.423
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: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -365.596933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.596933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.596933 (E_RNA)
where:
Base-Base interactions energy: -219.949
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.839
local terms energy: -144.808923
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -325.933838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.933838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.933838 (E_RNA)
where:
Base-Base interactions energy: -186.837
where: short stacking energy: -96.408
Base-Backbone interact. energy: -0.646
local terms energy: -138.450788
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -271.388290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.388290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.388290 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -78.879
Base-Backbone interact. energy: -1.090
local terms energy: -128.047226
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -749.648334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.648334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.648334 (E_RNA)
where:
Base-Base interactions energy: -518.342
where: short stacking energy: -224.628
Base-Backbone interact. energy: -0.428
local terms energy: -230.877855
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -43.623
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -68.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -689.571085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.571085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.571085 (E_RNA)
where:
Base-Base interactions energy: -469.863
where: short stacking energy: -211.155
Base-Backbone interact. energy: 0.368
local terms energy: -220.075730
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -40.416
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -66.141
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -677.501657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.501657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.501657 (E_RNA)
where:
Base-Base interactions energy: -456.948
where: short stacking energy: -205.443
Base-Backbone interact. energy: -0.143
local terms energy: -220.410554
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -69.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -627.394568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.394568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.394568 (E_RNA)
where:
Base-Base interactions energy: -423.654
where: short stacking energy: -168.882
Base-Backbone interact. energy: -0.280
local terms energy: -203.461103
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -42.420
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -580.997794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.997794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.997794 (E_RNA)
where:
Base-Base interactions energy: -395.508
where: short stacking energy: -165.093
Base-Backbone interact. energy: -0.824
local terms energy: -184.666030
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -22.636
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -483.488638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.488638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.488638 (E_RNA)
where:
Base-Base interactions energy: -315.974
where: short stacking energy: -139.857
Base-Backbone interact. energy: -0.679
local terms energy: -166.835087
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -429.924997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.924997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.924997 (E_RNA)
where:
Base-Base interactions energy: -259.667
where: short stacking energy: -129.767
Base-Backbone interact. energy: 0.284
local terms energy: -170.542911
where:
bonds (distance) C4'-P energy: -38.121
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -45.143
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -36.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -370.866727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.866727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.866727 (E_RNA)
where:
Base-Base interactions energy: -222.360
where: short stacking energy: -104.098
Base-Backbone interact. energy: -0.990
local terms energy: -147.516531
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -40.929
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -340.698228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.698228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.698228 (E_RNA)
where:
Base-Base interactions energy: -195.488
where: short stacking energy: -89.380
Base-Backbone interact. energy: -0.021
local terms energy: -145.189016
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -39.834
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -258.330660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.330660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.330660 (E_RNA)
where:
Base-Base interactions energy: -130.293
where: short stacking energy: -76.333
Base-Backbone interact. energy: -0.290
local terms energy: -127.747455
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -748.377285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.377285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.377285 (E_RNA)
where:
Base-Base interactions energy: -508.792
where: short stacking energy: -222.617
Base-Backbone interact. energy: -1.848
local terms energy: -237.737605
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -45.915
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -30.247
tors. eta vs tors. theta energy: -70.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -694.693264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.693264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.693264 (E_RNA)
where:
Base-Base interactions energy: -463.188
where: short stacking energy: -217.468
Base-Backbone interact. energy: -0.137
local terms energy: -231.368069
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -71.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -667.341986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.341986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.341986 (E_RNA)
where:
Base-Base interactions energy: -435.780
where: short stacking energy: -198.544
Base-Backbone interact. energy: -1.699
local terms energy: -229.863855
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -38.052
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -63.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -615.746211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.746211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.746211 (E_RNA)
where:
Base-Base interactions energy: -427.333
where: short stacking energy: -164.866
Base-Backbone interact. energy: -1.108
local terms energy: -187.305638
where:
bonds (distance) C4'-P energy: -40.545
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -43.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -606.463249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.463249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.463249 (E_RNA)
where:
Base-Base interactions energy: -387.098
where: short stacking energy: -178.836
Base-Backbone interact. energy: -0.470
local terms energy: -218.895670
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -56.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -417.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.400134 (E_RNA)
where:
Base-Base interactions energy: -242.756
where: short stacking energy: -117.759
Base-Backbone interact. energy: -0.298
local terms energy: -174.345663
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -37.608
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -498.158573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.158573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.158573 (E_RNA)
where:
Base-Base interactions energy: -318.258
where: short stacking energy: -149.358
Base-Backbone interact. energy: 1.658
local terms energy: -181.558460
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -42.501
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -355.193473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.193473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.193473 (E_RNA)
where:
Base-Base interactions energy: -219.894
where: short stacking energy: -95.282
Base-Backbone interact. energy: -0.217
local terms energy: -135.082464
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -343.413273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.413273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.413273 (E_RNA)
where:
Base-Base interactions energy: -202.502
where: short stacking energy: -104.515
Base-Backbone interact. energy: -0.524
local terms energy: -140.387003
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -16.678
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: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -313.508820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.508820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.508820 (E_RNA)
where:
Base-Base interactions energy: -177.187
where: short stacking energy: -85.046
Base-Backbone interact. energy: 0.124
local terms energy: -136.445250
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -36.830
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -738.438935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.438935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.438935 (E_RNA)
where:
Base-Base interactions energy: -506.742
where: short stacking energy: -219.122
Base-Backbone interact. energy: -0.342
local terms energy: -231.355812
where:
bonds (distance) C4'-P energy: -45.687
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -71.177
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -698.690420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.690420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.690420 (E_RNA)
where:
Base-Base interactions energy: -469.237
where: short stacking energy: -215.475
Base-Backbone interact. energy: -0.263
local terms energy: -229.190854
where:
bonds (distance) C4'-P energy: -37.826
bonds (distance) P-C4' energy: -40.440
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -72.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -681.596693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.596693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.596693 (E_RNA)
where:
Base-Base interactions energy: -456.691
where: short stacking energy: -209.555
Base-Backbone interact. energy: -0.382
local terms energy: -224.524005
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -64.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -624.876593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.876593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.876593 (E_RNA)
where:
Base-Base interactions energy: -421.753
where: short stacking energy: -172.164
Base-Backbone interact. energy: -2.262
local terms energy: -200.861529
where:
bonds (distance) C4'-P energy: -44.731
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -44.480
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -41.692
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: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -601.967768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.967768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.967768 (E_RNA)
where:
Base-Base interactions energy: -422.341
where: short stacking energy: -185.979
Base-Backbone interact. energy: 0.418
local terms energy: -180.045179
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -47.172
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: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -456.402445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.402445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.402445 (E_RNA)
where:
Base-Base interactions energy: -279.141
where: short stacking energy: -131.016
Base-Backbone interact. energy: -2.322
local terms energy: -174.939723
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -33.596
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -374.133623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.133623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.133623 (E_RNA)
where:
Base-Base interactions energy: -210.209
where: short stacking energy: -113.130
Base-Backbone interact. energy: 1.712
local terms energy: -165.636886
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -431.025607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.025607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.025607 (E_RNA)
where:
Base-Base interactions energy: -267.644
where: short stacking energy: -136.702
Base-Backbone interact. energy: -1.193
local terms energy: -162.187844
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -44.429
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -41.651
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: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -327.697227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.697227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.697227 (E_RNA)
where:
Base-Base interactions energy: -183.247
where: short stacking energy: -85.883
Base-Backbone interact. energy: -1.022
local terms energy: -143.428114
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -308.848925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.848925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.848925 (E_RNA)
where:
Base-Base interactions energy: -157.226
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.622
local terms energy: -151.000512
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -758.518167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.518167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.518167 (E_RNA)
where:
Base-Base interactions energy: -516.882
where: short stacking energy: -223.744
Base-Backbone interact. energy: -2.060
local terms energy: -239.576114
where:
bonds (distance) C4'-P energy: -50.439
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -47.935
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -71.701
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -693.190438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.190438 (E_RNA)
where:
Base-Base interactions energy: -454.073
where: short stacking energy: -204.058
Base-Backbone interact. energy: -0.795
local terms energy: -238.323063
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -46.348
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -69.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -668.355690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.355690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.355690 (E_RNA)
where:
Base-Base interactions energy: -438.203
where: short stacking energy: -198.355
Base-Backbone interact. energy: -1.494
local terms energy: -228.659004
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -50.762
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -65.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -607.958937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.958937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.958937 (E_RNA)
where:
Base-Base interactions energy: -403.365
where: short stacking energy: -168.630
Base-Backbone interact. energy: 0.262
local terms energy: -204.855942
where:
bonds (distance) C4'-P energy: -41.535
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -49.074
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: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -553.123495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.123495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.123495 (E_RNA)
where:
Base-Base interactions energy: -354.762
where: short stacking energy: -154.961
Base-Backbone interact. energy: -0.438
local terms energy: -197.924088
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -43.866
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -450.819390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.819390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.819390 (E_RNA)
where:
Base-Base interactions energy: -264.816
where: short stacking energy: -144.668
Base-Backbone interact. energy: 1.100
local terms energy: -187.103645
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -45.008
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -29.224
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: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -367.131903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.131903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.131903 (E_RNA)
where:
Base-Base interactions energy: -201.806
where: short stacking energy: -101.581
Base-Backbone interact. energy: -0.642
local terms energy: -164.683728
where:
bonds (distance) C4'-P energy: -41.957
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -45.129
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -411.283617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.283617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.283617 (E_RNA)
where:
Base-Base interactions energy: -237.166
where: short stacking energy: -127.939
Base-Backbone interact. energy: -0.078
local terms energy: -174.039032
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -45.615
flat angles C4'-P-C4' energy: -43.460
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -33.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -347.165513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.165513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.165513 (E_RNA)
where:
Base-Base interactions energy: -202.276
where: short stacking energy: -112.811
Base-Backbone interact. energy: -1.525
local terms energy: -143.364406
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -15.191
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: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -335.055527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.055527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.055527 (E_RNA)
where:
Base-Base interactions energy: -182.325
where: short stacking energy: -102.090
Base-Backbone interact. energy: -1.545
local terms energy: -151.185306
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -42.569
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -705.539690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.539690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.539690 (E_RNA)
where:
Base-Base interactions energy: -482.279
where: short stacking energy: -219.489
Base-Backbone interact. energy: -0.619
local terms energy: -222.641463
where:
bonds (distance) C4'-P energy: -40.903
bonds (distance) P-C4' energy: -38.626
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -75.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -728.699843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.699843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.699843 (E_RNA)
where:
Base-Base interactions energy: -493.553
where: short stacking energy: -205.559
Base-Backbone interact. energy: -0.721
local terms energy: -234.426062
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -44.811
flat angles C4'-P-C4' energy: -46.561
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: -67.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -686.941001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.941001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.941001 (E_RNA)
where:
Base-Base interactions energy: -448.046
where: short stacking energy: -206.876
Base-Backbone interact. energy: -1.855
local terms energy: -237.039399
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -49.121
flat angles C4'-P-C4' energy: -42.293
flat angles P-C4'-P energy: -27.916
tors. eta vs tors. theta energy: -69.492
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: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -615.769775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.769775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.769775 (E_RNA)
where:
Base-Base interactions energy: -418.256
where: short stacking energy: -183.992
Base-Backbone interact. energy: 0.213
local terms energy: -197.725952
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -47.232
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -47.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -468.803534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.803534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.803534 (E_RNA)
where:
Base-Base interactions energy: -292.697
where: short stacking energy: -141.294
Base-Backbone interact. energy: 1.196
local terms energy: -177.302085
where:
bonds (distance) C4'-P energy: -36.682
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -30.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -526.861578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.861578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.861578 (E_RNA)
where:
Base-Base interactions energy: -347.651
where: short stacking energy: -151.530
Base-Backbone interact. energy: -0.483
local terms energy: -178.727840
where:
bonds (distance) C4'-P energy: -42.921
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -34.861
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: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -440.183524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.183524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.183524 (E_RNA)
where:
Base-Base interactions energy: -270.444
where: short stacking energy: -142.894
Base-Backbone interact. energy: -0.944
local terms energy: -168.794741
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -43.223
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -40.264
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: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -350.742343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.742343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.742343 (E_RNA)
where:
Base-Base interactions energy: -190.556
where: short stacking energy: -87.551
Base-Backbone interact. energy: -0.312
local terms energy: -159.874294
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -20.426
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: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -324.538068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.538068 (E_RNA)
where:
Base-Base interactions energy: -188.211
where: short stacking energy: -93.339
Base-Backbone interact. energy: -0.776
local terms energy: -135.551284
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -38.349
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -310.158461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.158461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.158461 (E_RNA)
where:
Base-Base interactions energy: -180.862
where: short stacking energy: -104.246
Base-Backbone interact. energy: 1.209
local terms energy: -130.506331
where:
bonds (distance) C4'-P energy: -40.389
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -704.515498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.515498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.515498 (E_RNA)
where:
Base-Base interactions energy: -474.637
where: short stacking energy: -218.018
Base-Backbone interact. energy: -0.629
local terms energy: -229.249309
where:
bonds (distance) C4'-P energy: -44.849
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -72.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -741.885859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.885859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.885859 (E_RNA)
where:
Base-Base interactions energy: -491.113
where: short stacking energy: -216.956
Base-Backbone interact. energy: -1.196
local terms energy: -249.576549
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -50.050
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -72.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -696.848734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.848734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.848734 (E_RNA)
where:
Base-Base interactions energy: -466.614
where: short stacking energy: -209.515
Base-Backbone interact. energy: -1.205
local terms energy: -229.029809
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -40.298
flat angles C4'-P-C4' energy: -41.864
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -69.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -618.933461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.933461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.933461 (E_RNA)
where:
Base-Base interactions energy: -420.556
where: short stacking energy: -180.099
Base-Backbone interact. energy: -1.370
local terms energy: -197.007696
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -45.527
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -49.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -459.053868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.053868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.053868 (E_RNA)
where:
Base-Base interactions energy: -280.221
where: short stacking energy: -137.127
Base-Backbone interact. energy: -0.342
local terms energy: -178.490465
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -38.873
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -38.086
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: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -508.730228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.730228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.730228 (E_RNA)
where:
Base-Base interactions energy: -336.978
where: short stacking energy: -147.504
Base-Backbone interact. energy: -1.191
local terms energy: -170.561545
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -39.382
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -460.845553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.845553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.845553 (E_RNA)
where:
Base-Base interactions energy: -289.618
where: short stacking energy: -136.970
Base-Backbone interact. energy: -0.524
local terms energy: -170.703424
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -22.120
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: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -369.997200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.997200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.997200 (E_RNA)
where:
Base-Base interactions energy: -210.580
where: short stacking energy: -128.898
Base-Backbone interact. energy: 0.146
local terms energy: -159.562702
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -43.200
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -27.806
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: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -322.860665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.860665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.860665 (E_RNA)
where:
Base-Base interactions energy: -183.830
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.844
local terms energy: -138.186437
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -318.103081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.103081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.103081 (E_RNA)
where:
Base-Base interactions energy: -187.726
where: short stacking energy: -90.590
Base-Backbone interact. energy: -0.752
local terms energy: -129.625948
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -731.977768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.977768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.977768 (E_RNA)
where:
Base-Base interactions energy: -484.093
where: short stacking energy: -215.402
Base-Backbone interact. energy: -0.577
local terms energy: -247.308396
where:
bonds (distance) C4'-P energy: -45.012
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -49.327
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -74.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -697.735283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.735283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.735283 (E_RNA)
where:
Base-Base interactions energy: -466.896
where: short stacking energy: -226.772
Base-Backbone interact. energy: -0.348
local terms energy: -230.491622
where:
bonds (distance) C4'-P energy: -37.627
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -69.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -665.348985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.348985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.348985 (E_RNA)
where:
Base-Base interactions energy: -459.205
where: short stacking energy: -209.009
Base-Backbone interact. energy: -0.156
local terms energy: -205.987835
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -610.855633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.855633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.855633 (E_RNA)
where:
Base-Base interactions energy: -417.084
where: short stacking energy: -182.790
Base-Backbone interact. energy: 0.143
local terms energy: -193.914981
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -41.738
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: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -540.647240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.647240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.647240 (E_RNA)
where:
Base-Base interactions energy: -358.561
where: short stacking energy: -168.685
Base-Backbone interact. energy: -0.926
local terms energy: -181.160423
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -31.836
flat angles C4'-P-C4' energy: -39.275
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -44.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -411.804995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.804995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.804995 (E_RNA)
where:
Base-Base interactions energy: -246.128
where: short stacking energy: -128.814
Base-Backbone interact. energy: -0.707
local terms energy: -164.969333
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -444.301257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.301257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.301257 (E_RNA)
where:
Base-Base interactions energy: -279.653
where: short stacking energy: -141.265
Base-Backbone interact. energy: -1.214
local terms energy: -163.434982
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -39.651
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -378.076846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.076846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.076846 (E_RNA)
where:
Base-Base interactions energy: -232.821
where: short stacking energy: -108.693
Base-Backbone interact. energy: -0.880
local terms energy: -144.375676
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -22.038
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: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -327.539822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.539822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.539822 (E_RNA)
where:
Base-Base interactions energy: -178.669
where: short stacking energy: -99.328
Base-Backbone interact. energy: -0.384
local terms energy: -148.486326
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -34.100
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -295.431658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.431658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.431658 (E_RNA)
where:
Base-Base interactions energy: -169.257
where: short stacking energy: -81.290
Base-Backbone interact. energy: -1.019
local terms energy: -125.155687
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -744.319247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.319247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.319247 (E_RNA)
where:
Base-Base interactions energy: -507.001
where: short stacking energy: -228.811
Base-Backbone interact. energy: -0.540
local terms energy: -236.777859
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -51.614
flat angles P-C4'-P energy: -31.220
tors. eta vs tors. theta energy: -73.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -695.866352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.866352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.866352 (E_RNA)
where:
Base-Base interactions energy: -475.553
where: short stacking energy: -218.209
Base-Backbone interact. energy: -0.443
local terms energy: -219.870049
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -31.640
tors. eta vs tors. theta energy: -71.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -676.148276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.148276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.148276 (E_RNA)
where:
Base-Base interactions energy: -454.848
where: short stacking energy: -211.518
Base-Backbone interact. energy: -0.928
local terms energy: -220.372258
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -63.081
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: 459
Temperature: 1.050000
Total energy: -620.698443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.698443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.698443 (E_RNA)
where:
Base-Base interactions energy: -426.104
where: short stacking energy: -185.332
Base-Backbone interact. energy: 0.789
local terms energy: -195.383434
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -34.460
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -541.353846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.353846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.353846 (E_RNA)
where:
Base-Base interactions energy: -360.062
where: short stacking energy: -174.330
Base-Backbone interact. energy: -0.372
local terms energy: -180.919879
where:
bonds (distance) C4'-P energy: -36.181
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -29.559
tors. eta vs tors. theta energy: -36.276
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: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -446.040647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.040647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.040647 (E_RNA)
where:
Base-Base interactions energy: -267.799
where: short stacking energy: -134.607
Base-Backbone interact. energy: -0.910
local terms energy: -177.331350
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -31.946
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: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -452.993465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.993465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.993465 (E_RNA)
where:
Base-Base interactions energy: -283.347
where: short stacking energy: -127.034
Base-Backbone interact. energy: 1.549
local terms energy: -171.194685
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -39.965
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -29.190
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: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -374.712144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.712144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.712144 (E_RNA)
where:
Base-Base interactions energy: -224.336
where: short stacking energy: -114.983
Base-Backbone interact. energy: -0.538
local terms energy: -149.838448
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -37.032
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -21.440
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: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -330.671388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.671388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.671388 (E_RNA)
where:
Base-Base interactions energy: -199.269
where: short stacking energy: -109.563
Base-Backbone interact. energy: -0.770
local terms energy: -130.632782
where:
bonds (distance) C4'-P energy: -46.061
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -292.733213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.733213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.733213 (E_RNA)
where:
Base-Base interactions energy: -176.970
where: short stacking energy: -92.312
Base-Backbone interact. energy: -1.070
local terms energy: -114.693166
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -750.776585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.776585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.776585 (E_RNA)
where:
Base-Base interactions energy: -502.442
where: short stacking energy: -220.636
Base-Backbone interact. energy: -0.766
local terms energy: -247.568504
where:
bonds (distance) C4'-P energy: -43.799
bonds (distance) P-C4' energy: -41.652
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -74.548
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -687.191026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.191026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.191026 (E_RNA)
where:
Base-Base interactions energy: -453.274
where: short stacking energy: -210.261
Base-Backbone interact. energy: 0.078
local terms energy: -233.994721
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -48.153
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -68.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -667.075649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.075649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.075649 (E_RNA)
where:
Base-Base interactions energy: -456.375
where: short stacking energy: -216.301
Base-Backbone interact. energy: 0.554
local terms energy: -211.254929
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -61.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -605.518917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.518917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.518917 (E_RNA)
where:
Base-Base interactions energy: -405.881
where: short stacking energy: -172.481
Base-Backbone interact. energy: -1.426
local terms energy: -198.212171
where:
bonds (distance) C4'-P energy: -43.765
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -43.946
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -42.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -566.090563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.090563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.090563 (E_RNA)
where:
Base-Base interactions energy: -373.162
where: short stacking energy: -156.359
Base-Backbone interact. energy: 0.312
local terms energy: -193.241498
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -45.845
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -39.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -502.333422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.333422 (E_RNA)
where:
Base-Base interactions energy: -324.222
where: short stacking energy: -139.396
Base-Backbone interact. energy: -2.199
local terms energy: -175.912142
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -33.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -424.235543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.235543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.235543 (E_RNA)
where:
Base-Base interactions energy: -257.083
where: short stacking energy: -123.512
Base-Backbone interact. energy: 2.063
local terms energy: -169.215285
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -31.605
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: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -400.424095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.424095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.424095 (E_RNA)
where:
Base-Base interactions energy: -244.365
where: short stacking energy: -109.366
Base-Backbone interact. energy: 0.115
local terms energy: -156.174730
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -319.004236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.004236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.004236 (E_RNA)
where:
Base-Base interactions energy: -191.565
where: short stacking energy: -96.162
Base-Backbone interact. energy: -0.194
local terms energy: -127.245810
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -361.118988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.118988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.118988 (E_RNA)
where:
Base-Base interactions energy: -221.396
where: short stacking energy: -111.812
Base-Backbone interact. energy: -0.185
local terms energy: -139.537948
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -26.951
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: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -735.394413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.394413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.394413 (E_RNA)
where:
Base-Base interactions energy: -505.931
where: short stacking energy: -230.038
Base-Backbone interact. energy: -0.697
local terms energy: -228.767148
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -49.594
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -69.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -674.743406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.743406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.743406 (E_RNA)
where:
Base-Base interactions energy: -448.659
where: short stacking energy: -207.486
Base-Backbone interact. energy: -1.518
local terms energy: -224.566637
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -49.269
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -62.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -673.959740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.959740 (E_RNA)
where:
Base-Base interactions energy: -442.344
where: short stacking energy: -206.266
Base-Backbone interact. energy: -0.524
local terms energy: -231.091705
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -43.271
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -69.870
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -614.836523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.836523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.836523 (E_RNA)
where:
Base-Base interactions energy: -414.681
where: short stacking energy: -175.049
Base-Backbone interact. energy: 0.018
local terms energy: -200.172946
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -571.547214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.547214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.547214 (E_RNA)
where:
Base-Base interactions energy: -375.922
where: short stacking energy: -170.620
Base-Backbone interact. energy: 0.184
local terms energy: -195.809344
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -38.361
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -34.295
tors. eta vs tors. theta energy: -44.485
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -527.924726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.924726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.924726 (E_RNA)
where:
Base-Base interactions energy: -350.908
where: short stacking energy: -151.589
Base-Backbone interact. energy: 2.877
local terms energy: -179.893628
where:
bonds (distance) C4'-P energy: -37.448
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -46.170
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -36.225
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: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -427.818862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.818862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.818862 (E_RNA)
where:
Base-Base interactions energy: -260.369
where: short stacking energy: -114.220
Base-Backbone interact. energy: 0.224
local terms energy: -167.673599
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -411.857981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.857981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.857981 (E_RNA)
where:
Base-Base interactions energy: -257.321
where: short stacking energy: -122.951
Base-Backbone interact. energy: -1.274
local terms energy: -153.263086
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -44.850
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -337.645837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.645837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.645837 (E_RNA)
where:
Base-Base interactions energy: -204.064
where: short stacking energy: -105.347
Base-Backbone interact. energy: -0.804
local terms energy: -132.777267
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -7.810
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: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -326.875646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.875646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.875646 (E_RNA)
where:
Base-Base interactions energy: -176.981
where: short stacking energy: -96.031
Base-Backbone interact. energy: -0.559
local terms energy: -149.335820
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -21.207
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: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -736.815568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.815568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.815568 (E_RNA)
where:
Base-Base interactions energy: -509.896
where: short stacking energy: -222.525
Base-Backbone interact. energy: 0.269
local terms energy: -227.188898
where:
bonds (distance) C4'-P energy: -45.729
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -65.205
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: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -686.937108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.937108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.937108 (E_RNA)
where:
Base-Base interactions energy: -470.748
where: short stacking energy: -215.987
Base-Backbone interact. energy: 0.276
local terms energy: -216.465108
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -39.226
flat angles C4'-P-C4' energy: -42.607
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -71.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -682.075585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.075585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.075585 (E_RNA)
where:
Base-Base interactions energy: -458.441
where: short stacking energy: -198.979
Base-Backbone interact. energy: -0.654
local terms energy: -222.980300
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -66.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -588.726284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.726284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.726284 (E_RNA)
where:
Base-Base interactions energy: -401.123
where: short stacking energy: -170.643
Base-Backbone interact. energy: 6.131
local terms energy: -193.734865
where:
bonds (distance) C4'-P energy: -40.441
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -39.237
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: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -529.212461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.212461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.212461 (E_RNA)
where:
Base-Base interactions energy: -332.254
where: short stacking energy: -150.592
Base-Backbone interact. energy: -0.328
local terms energy: -196.629732
where:
bonds (distance) C4'-P energy: -38.243
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -29.539
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -563.797257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.797257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.797257 (E_RNA)
where:
Base-Base interactions energy: -362.118
where: short stacking energy: -161.719
Base-Backbone interact. energy: -0.502
local terms energy: -201.178051
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -41.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -451.342407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.342407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.342407 (E_RNA)
where:
Base-Base interactions energy: -303.253
where: short stacking energy: -124.320
Base-Backbone interact. energy: 0.773
local terms energy: -148.863093
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -24.567
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -357.078782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.078782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.078782 (E_RNA)
where:
Base-Base interactions energy: -205.703
where: short stacking energy: -101.330
Base-Backbone interact. energy: 0.979
local terms energy: -152.354474
where:
bonds (distance) C4'-P energy: -39.847
bonds (distance) P-C4' energy: -42.378
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -17.745
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: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -328.102345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.102345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.102345 (E_RNA)
where:
Base-Base interactions energy: -186.809
where: short stacking energy: -94.680
Base-Backbone interact. energy: -1.102
local terms energy: -140.190775
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -35.592
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -328.417537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.417537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.417537 (E_RNA)
where:
Base-Base interactions energy: -195.652
where: short stacking energy: -104.402
Base-Backbone interact. energy: 0.439
local terms energy: -133.204584
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -734.862862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.862862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.862862 (E_RNA)
where:
Base-Base interactions energy: -501.458
where: short stacking energy: -229.606
Base-Backbone interact. energy: -1.177
local terms energy: -232.227713
where:
bonds (distance) C4'-P energy: -44.068
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -47.583
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -66.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -681.235997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.235997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.235997 (E_RNA)
where:
Base-Base interactions energy: -453.765
where: short stacking energy: -197.278
Base-Backbone interact. energy: -0.290
local terms energy: -227.180783
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -45.938
flat angles P-C4'-P energy: -30.072
tors. eta vs tors. theta energy: -65.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -679.972640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.972640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.972640 (E_RNA)
where:
Base-Base interactions energy: -453.722
where: short stacking energy: -214.703
Base-Backbone interact. energy: 2.876
local terms energy: -229.126154
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -69.976
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -604.072847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.072847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.072847 (E_RNA)
where:
Base-Base interactions energy: -405.945
where: short stacking energy: -169.746
Base-Backbone interact. energy: -1.891
local terms energy: -196.236300
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -44.312
flat angles C4'-P-C4' energy: -47.968
flat angles P-C4'-P energy: -27.715
tors. eta vs tors. theta energy: -38.324
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -591.752633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.752633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.752633 (E_RNA)
where:
Base-Base interactions energy: -385.802
where: short stacking energy: -176.721
Base-Backbone interact. energy: -2.927
local terms energy: -203.023608
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -52.955
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: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -541.461362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.461362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.461362 (E_RNA)
where:
Base-Base interactions energy: -346.364
where: short stacking energy: -159.600
Base-Backbone interact. energy: -0.473
local terms energy: -194.624559
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -44.724
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: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -457.726392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.726392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.726392 (E_RNA)
where:
Base-Base interactions energy: -287.101
where: short stacking energy: -120.756
Base-Backbone interact. energy: -1.321
local terms energy: -169.304554
where:
bonds (distance) C4'-P energy: -36.165
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -361.020840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.020840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.020840 (E_RNA)
where:
Base-Base interactions energy: -199.188
where: short stacking energy: -106.185
Base-Backbone interact. energy: -0.859
local terms energy: -160.974174
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -42.172
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -23.274
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: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -346.369543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.369543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.369543 (E_RNA)
where:
Base-Base interactions energy: -200.318
where: short stacking energy: -97.289
Base-Backbone interact. energy: 0.438
local terms energy: -146.489983
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -315.047957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.047957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.047957 (E_RNA)
where:
Base-Base interactions energy: -176.298
where: short stacking energy: -77.475
Base-Backbone interact. energy: -0.376
local terms energy: -138.373587
where:
bonds (distance) C4'-P energy: -39.664
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -18.064
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: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -724.501783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.501783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.501783 (E_RNA)
where:
Base-Base interactions energy: -494.325
where: short stacking energy: -209.107
Base-Backbone interact. energy: -0.307
local terms energy: -229.869702
where:
bonds (distance) C4'-P energy: -45.335
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -67.317
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: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -694.420425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.420425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.420425 (E_RNA)
where:
Base-Base interactions energy: -466.162
where: short stacking energy: -213.267
Base-Backbone interact. energy: -0.229
local terms energy: -228.029029
where:
bonds (distance) C4'-P energy: -43.483
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -34.235
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: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -693.445099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.445099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.445099 (E_RNA)
where:
Base-Base interactions energy: -469.798
where: short stacking energy: -225.949
Base-Backbone interact. energy: -1.404
local terms energy: -222.242866
where:
bonds (distance) C4'-P energy: -38.493
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -69.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -598.441747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.441747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.441747 (E_RNA)
where:
Base-Base interactions energy: -385.021
where: short stacking energy: -163.057
Base-Backbone interact. energy: -1.260
local terms energy: -212.160785
where:
bonds (distance) C4'-P energy: -43.608
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -49.204
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -46.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -594.109494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.109494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.109494 (E_RNA)
where:
Base-Base interactions energy: -397.958
where: short stacking energy: -175.038
Base-Backbone interact. energy: -0.303
local terms energy: -195.848929
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -43.868
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -50.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -465.837672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.837672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.837672 (E_RNA)
where:
Base-Base interactions energy: -295.536
where: short stacking energy: -138.294
Base-Backbone interact. energy: -0.577
local terms energy: -169.724513
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -31.504
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: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -442.497798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.497798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.497798 (E_RNA)
where:
Base-Base interactions energy: -282.320
where: short stacking energy: -108.835
Base-Backbone interact. energy: 1.697
local terms energy: -161.874974
where:
bonds (distance) C4'-P energy: -40.326
bonds (distance) P-C4' energy: -38.560
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -27.991
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -364.287924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.287924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.287924 (E_RNA)
where:
Base-Base interactions energy: -213.716
where: short stacking energy: -115.007
Base-Backbone interact. energy: -1.462
local terms energy: -149.110296
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -19.616
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: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -379.136751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.136751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.136751 (E_RNA)
where:
Base-Base interactions energy: -231.963
where: short stacking energy: -107.854
Base-Backbone interact. energy: -1.332
local terms energy: -145.842570
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -305.896694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.896694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.896694 (E_RNA)
where:
Base-Base interactions energy: -159.447
where: short stacking energy: -74.507
Base-Backbone interact. energy: -0.150
local terms energy: -146.300466
where:
bonds (distance) C4'-P energy: -39.628
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -731.874773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.874773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.874773 (E_RNA)
where:
Base-Base interactions energy: -502.056
where: short stacking energy: -217.559
Base-Backbone interact. energy: -0.073
local terms energy: -229.746620
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -46.139
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -68.005
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: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -690.130470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.130470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.130470 (E_RNA)
where:
Base-Base interactions energy: -454.909
where: short stacking energy: -206.248
Base-Backbone interact. energy: -0.317
local terms energy: -234.904266
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -44.238
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -65.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -685.604216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.604216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.604216 (E_RNA)
where:
Base-Base interactions energy: -449.301
where: short stacking energy: -207.090
Base-Backbone interact. energy: -0.418
local terms energy: -235.885457
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -66.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -587.826599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.826599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.826599 (E_RNA)
where:
Base-Base interactions energy: -408.901
where: short stacking energy: -173.852
Base-Backbone interact. energy: -0.740
local terms energy: -178.185037
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -39.225
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -40.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -555.248053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.248053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.248053 (E_RNA)
where:
Base-Base interactions energy: -364.143
where: short stacking energy: -164.602
Base-Backbone interact. energy: -0.095
local terms energy: -191.010055
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -38.063
flat angles C4'-P-C4' energy: -47.920
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -464.692254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.692254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.692254 (E_RNA)
where:
Base-Base interactions energy: -276.253
where: short stacking energy: -140.026
Base-Backbone interact. energy: -0.271
local terms energy: -188.168136
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -42.116
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -35.691
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -423.193928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.193928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.193928 (E_RNA)
where:
Base-Base interactions energy: -252.288
where: short stacking energy: -115.678
Base-Backbone interact. energy: 0.531
local terms energy: -171.437585
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -28.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -384.373409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.373409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.373409 (E_RNA)
where:
Base-Base interactions energy: -228.693
where: short stacking energy: -114.130
Base-Backbone interact. energy: 0.309
local terms energy: -155.988960
where:
bonds (distance) C4'-P energy: -34.657
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -309.409648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.409648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.409648 (E_RNA)
where:
Base-Base interactions energy: -170.337
where: short stacking energy: -90.218
Base-Backbone interact. energy: -1.664
local terms energy: -137.408719
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -335.088048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.088048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.088048 (E_RNA)
where:
Base-Base interactions energy: -199.292
where: short stacking energy: -84.646
Base-Backbone interact. energy: 3.973
local terms energy: -139.768441
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -734.809417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.809417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.809417 (E_RNA)
where:
Base-Base interactions energy: -497.337
where: short stacking energy: -227.735
Base-Backbone interact. energy: -0.253
local terms energy: -237.219245
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -71.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -696.591919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.591919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.591919 (E_RNA)
where:
Base-Base interactions energy: -463.643
where: short stacking energy: -215.111
Base-Backbone interact. energy: -1.779
local terms energy: -231.169466
where:
bonds (distance) C4'-P energy: -40.951
bonds (distance) P-C4' energy: -41.687
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -69.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -681.574204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.574204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.574204 (E_RNA)
where:
Base-Base interactions energy: -458.408
where: short stacking energy: -209.060
Base-Backbone interact. energy: -1.080
local terms energy: -222.085823
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -69.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -619.658631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.658631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.658631 (E_RNA)
where:
Base-Base interactions energy: -419.459
where: short stacking energy: -173.818
Base-Backbone interact. energy: -0.305
local terms energy: -199.894781
where:
bonds (distance) C4'-P energy: -41.977
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -40.591
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -45.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -550.635646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.635646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.635646 (E_RNA)
where:
Base-Base interactions energy: -364.052
where: short stacking energy: -163.839
Base-Backbone interact. energy: -0.508
local terms energy: -186.075623
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -27.672
tors. eta vs tors. theta energy: -44.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -446.599213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.599213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.599213 (E_RNA)
where:
Base-Base interactions energy: -288.534
where: short stacking energy: -151.774
Base-Backbone interact. energy: -0.036
local terms energy: -158.029537
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -28.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -391.131368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.131368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.131368 (E_RNA)
where:
Base-Base interactions energy: -241.008
where: short stacking energy: -111.220
Base-Backbone interact. energy: 1.536
local terms energy: -151.659683
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -41.855
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -435.631933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.631933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.631933 (E_RNA)
where:
Base-Base interactions energy: -274.536
where: short stacking energy: -139.621
Base-Backbone interact. energy: -1.727
local terms energy: -159.368686
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -35.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -351.633364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.633364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.633364 (E_RNA)
where:
Base-Base interactions energy: -200.336
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.929
local terms energy: -150.368207
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -307.982182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.982182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.982182 (E_RNA)
where:
Base-Base interactions energy: -163.209
where: short stacking energy: -80.274
Base-Backbone interact. energy: -0.626
local terms energy: -144.146764
where:
bonds (distance) C4'-P energy: -39.506
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -739.536826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.536826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.536826 (E_RNA)
where:
Base-Base interactions energy: -491.837
where: short stacking energy: -223.904
Base-Backbone interact. energy: -0.586
local terms energy: -247.113829
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -75.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -682.918732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.918732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.918732 (E_RNA)
where:
Base-Base interactions energy: -456.798
where: short stacking energy: -209.702
Base-Backbone interact. energy: -0.638
local terms energy: -225.482845
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -47.270
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -68.774
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: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -687.501290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.501290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.501290 (E_RNA)
where:
Base-Base interactions energy: -471.107
where: short stacking energy: -215.820
Base-Backbone interact. energy: 1.199
local terms energy: -217.592693
where:
bonds (distance) C4'-P energy: -38.330
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -69.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -580.089013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.089013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.089013 (E_RNA)
where:
Base-Base interactions energy: -391.937
where: short stacking energy: -156.411
Base-Backbone interact. energy: 0.218
local terms energy: -188.369601
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -43.447
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -544.308374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.308374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.308374 (E_RNA)
where:
Base-Base interactions energy: -346.512
where: short stacking energy: -159.034
Base-Backbone interact. energy: -0.355
local terms energy: -197.441451
where:
bonds (distance) C4'-P energy: -43.415
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: -45.860
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: 467
Temperature: 1.150000
Total energy: -480.602749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.602749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.602749 (E_RNA)
where:
Base-Base interactions energy: -301.323
where: short stacking energy: -132.838
Base-Backbone interact. energy: -0.648
local terms energy: -178.632231
where:
bonds (distance) C4'-P energy: -41.500
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -32.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -398.886529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.886529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.886529 (E_RNA)
where:
Base-Base interactions energy: -232.187
where: short stacking energy: -103.758
Base-Backbone interact. energy: -2.011
local terms energy: -164.688116
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -39.939
flat angles P-C4'-P energy: -31.017
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: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -430.743138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.743138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.743138 (E_RNA)
where:
Base-Base interactions energy: -258.313
where: short stacking energy: -125.953
Base-Backbone interact. energy: 4.780
local terms energy: -177.210371
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -40.147
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -37.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -336.155507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.155507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.155507 (E_RNA)
where:
Base-Base interactions energy: -194.405
where: short stacking energy: -92.493
Base-Backbone interact. energy: -0.478
local terms energy: -141.272610
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -314.103548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.103548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.103548 (E_RNA)
where:
Base-Base interactions energy: -172.818
where: short stacking energy: -72.113
Base-Backbone interact. energy: -1.048
local terms energy: -140.236893
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -736.379374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.379374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.379374 (E_RNA)
where:
Base-Base interactions energy: -492.215
where: short stacking energy: -226.775
Base-Backbone interact. energy: -1.339
local terms energy: -242.825936
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -49.966
flat angles P-C4'-P energy: -34.884
tors. eta vs tors. theta energy: -74.665
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: 468
Temperature: 0.950000
Total energy: -704.772178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.772178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.772178 (E_RNA)
where:
Base-Base interactions energy: -469.983
where: short stacking energy: -209.832
Base-Backbone interact. energy: -0.786
local terms energy: -234.003251
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -46.425
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: -67.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -698.415234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.415234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.415234 (E_RNA)
where:
Base-Base interactions energy: -466.987
where: short stacking energy: -216.622
Base-Backbone interact. energy: 0.304
local terms energy: -231.732342
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -47.811
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -69.749
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: 468
Temperature: 1.050000
Total energy: -625.086432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.086432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.086432 (E_RNA)
where:
Base-Base interactions energy: -424.977
where: short stacking energy: -183.207
Base-Backbone interact. energy: 0.678
local terms energy: -200.787146
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -46.680
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -49.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -557.908423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.908423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.908423 (E_RNA)
where:
Base-Base interactions energy: -378.811
where: short stacking energy: -154.444
Base-Backbone interact. energy: 1.429
local terms energy: -180.526198
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -42.481
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: 468
Temperature: 1.150000
Total energy: -508.456661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.456661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.456661 (E_RNA)
where:
Base-Base interactions energy: -310.664
where: short stacking energy: -144.459
Base-Backbone interact. energy: -1.130
local terms energy: -196.662061
where:
bonds (distance) C4'-P energy: -42.366
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -422.968978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.968978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.968978 (E_RNA)
where:
Base-Base interactions energy: -268.368
where: short stacking energy: -115.337
Base-Backbone interact. energy: 0.457
local terms energy: -155.058332
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -26.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -380.665353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.665353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.665353 (E_RNA)
where:
Base-Base interactions energy: -223.009
where: short stacking energy: -110.547
Base-Backbone interact. energy: 0.741
local terms energy: -158.397110
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -321.184080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.184080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.184080 (E_RNA)
where:
Base-Base interactions energy: -175.042
where: short stacking energy: -98.866
Base-Backbone interact. energy: 1.173
local terms energy: -147.315134
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -329.353133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.353133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.353133 (E_RNA)
where:
Base-Base interactions energy: -193.300
where: short stacking energy: -94.931
Base-Backbone interact. energy: -1.546
local terms energy: -134.506629
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -724.591361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.591361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.591361 (E_RNA)
where:
Base-Base interactions energy: -488.160
where: short stacking energy: -217.343
Base-Backbone interact. energy: -0.718
local terms energy: -235.713795
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -49.721
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -69.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -704.532254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.532254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.532254 (E_RNA)
where:
Base-Base interactions energy: -474.979
where: short stacking energy: -207.537
Base-Backbone interact. energy: -0.779
local terms energy: -228.773284
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -44.981
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -32.692
tors. eta vs tors. theta energy: -65.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -681.985901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.985901 (E_RNA)
where:
Base-Base interactions energy: -460.352
where: short stacking energy: -212.699
Base-Backbone interact. energy: -1.190
local terms energy: -220.444000
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -39.908
flat angles P-C4'-P energy: -31.631
tors. eta vs tors. theta energy: -64.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -606.279988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.279988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.279988 (E_RNA)
where:
Base-Base interactions energy: -412.332
where: short stacking energy: -169.695
Base-Backbone interact. energy: -0.509
local terms energy: -193.438428
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -43.208
flat angles C4'-P-C4' energy: -46.557
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -42.217
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: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -595.326010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.326010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.326010 (E_RNA)
where:
Base-Base interactions energy: -380.588
where: short stacking energy: -157.589
Base-Backbone interact. energy: -1.025
local terms energy: -213.712763
where:
bonds (distance) C4'-P energy: -46.477
bonds (distance) P-C4' energy: -40.976
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -50.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -507.215277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.215277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.215277 (E_RNA)
where:
Base-Base interactions energy: -322.603
where: short stacking energy: -139.299
Base-Backbone interact. energy: -0.803
local terms energy: -183.808947
where:
bonds (distance) C4'-P energy: -41.016
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -38.849
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -37.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -435.571708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.571708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.571708 (E_RNA)
where:
Base-Base interactions energy: -277.673
where: short stacking energy: -133.481
Base-Backbone interact. energy: -1.502
local terms energy: -156.395856
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -34.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -378.052890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.052890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.052890 (E_RNA)
where:
Base-Base interactions energy: -229.739
where: short stacking energy: -95.849
Base-Backbone interact. energy: -0.589
local terms energy: -147.724768
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -276.966128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.966128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.966128 (E_RNA)
where:
Base-Base interactions energy: -138.399
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.297
local terms energy: -138.270136
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -332.649840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.649840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.649840 (E_RNA)
where:
Base-Base interactions energy: -197.996
where: short stacking energy: -93.967
Base-Backbone interact. energy: 0.258
local terms energy: -134.911602
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -734.891363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.891363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.891363 (E_RNA)
where:
Base-Base interactions energy: -488.087
where: short stacking energy: -221.586
Base-Backbone interact. energy: -1.791
local terms energy: -245.013372
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -73.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -716.302920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.302920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.302920 (E_RNA)
where:
Base-Base interactions energy: -474.291
where: short stacking energy: -224.593
Base-Backbone interact. energy: -0.018
local terms energy: -241.993728
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -73.737
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: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -684.208093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.208093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.208093 (E_RNA)
where:
Base-Base interactions energy: -459.640
where: short stacking energy: -206.677
Base-Backbone interact. energy: -0.316
local terms energy: -224.251799
where:
bonds (distance) C4'-P energy: -38.489
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: -64.022
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: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -605.757367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.757367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.757367 (E_RNA)
where:
Base-Base interactions energy: -416.970
where: short stacking energy: -185.049
Base-Backbone interact. energy: -1.486
local terms energy: -187.300854
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -42.726
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -590.240647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.240647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.240647 (E_RNA)
where:
Base-Base interactions energy: -382.097
where: short stacking energy: -167.510
Base-Backbone interact. energy: -0.219
local terms energy: -207.924517
where:
bonds (distance) C4'-P energy: -38.909
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -54.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -497.171974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.171974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.171974 (E_RNA)
where:
Base-Base interactions energy: -314.315
where: short stacking energy: -149.944
Base-Backbone interact. energy: -1.897
local terms energy: -180.960218
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -36.103
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: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -444.532967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.532967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.532967 (E_RNA)
where:
Base-Base interactions energy: -276.609
where: short stacking energy: -127.200
Base-Backbone interact. energy: -0.156
local terms energy: -167.767989
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -39.134
flat angles C4'-P-C4' energy: -37.548
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -29.923
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -368.216757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.216757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.216757 (E_RNA)
where:
Base-Base interactions energy: -219.569
where: short stacking energy: -102.932
Base-Backbone interact. energy: -1.127
local terms energy: -147.520647
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -343.500544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.500544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.500544 (E_RNA)
where:
Base-Base interactions energy: -211.057
where: short stacking energy: -91.276
Base-Backbone interact. energy: -0.245
local terms energy: -132.199054
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -280.271579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.271579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.271579 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -82.594
Base-Backbone interact. energy: 0.234
local terms energy: -118.958099
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -741.703748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.703748 (E_RNA)
where:
Base-Base interactions energy: -506.429
where: short stacking energy: -227.559
Base-Backbone interact. energy: -0.638
local terms energy: -234.636951
where:
bonds (distance) C4'-P energy: -41.088
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -72.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -710.131498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.131498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.131498 (E_RNA)
where:
Base-Base interactions energy: -469.285
where: short stacking energy: -219.543
Base-Backbone interact. energy: -0.855
local terms energy: -239.991887
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -30.508
tors. eta vs tors. theta energy: -74.650
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: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -711.748027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.748027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.748027 (E_RNA)
where:
Base-Base interactions energy: -479.960
where: short stacking energy: -220.030
Base-Backbone interact. energy: -0.629
local terms energy: -231.158664
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -49.343
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -73.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -608.518221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.518221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.518221 (E_RNA)
where:
Base-Base interactions energy: -416.360
where: short stacking energy: -177.241
Base-Backbone interact. energy: -0.653
local terms energy: -191.504809
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -44.240
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -42.278
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: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -601.594448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.594448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.594448 (E_RNA)
where:
Base-Base interactions energy: -402.963
where: short stacking energy: -169.302
Base-Backbone interact. energy: -0.641
local terms energy: -197.989590
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -40.237
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -50.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -490.980306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.980306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.980306 (E_RNA)
where:
Base-Base interactions energy: -326.317
where: short stacking energy: -142.776
Base-Backbone interact. energy: -0.204
local terms energy: -164.459284
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -38.738
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -39.169
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: 471
Temperature: 1.200000
Total energy: -462.153705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.153705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.153705 (E_RNA)
where:
Base-Base interactions energy: -292.590
where: short stacking energy: -144.978
Base-Backbone interact. energy: -1.513
local terms energy: -168.050669
where:
bonds (distance) C4'-P energy: -40.476
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -364.172904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.172904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.172904 (E_RNA)
where:
Base-Base interactions energy: -216.244
where: short stacking energy: -91.715
Base-Backbone interact. energy: -1.294
local terms energy: -146.635625
where:
bonds (distance) C4'-P energy: -29.077
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -333.519920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.519920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.519920 (E_RNA)
where:
Base-Base interactions energy: -202.983
where: short stacking energy: -105.965
Base-Backbone interact. energy: -0.189
local terms energy: -130.348815
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -292.804115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.804115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.804115 (E_RNA)
where:
Base-Base interactions energy: -160.168
where: short stacking energy: -67.545
Base-Backbone interact. energy: 4.031
local terms energy: -136.667525
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: 2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -736.659068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.659068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.659068 (E_RNA)
where:
Base-Base interactions energy: -501.732
where: short stacking energy: -222.355
Base-Backbone interact. energy: -0.103
local terms energy: -234.824782
where:
bonds (distance) C4'-P energy: -44.056
bonds (distance) P-C4' energy: -39.301
flat angles C4'-P-C4' energy: -47.306
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -74.704
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: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -694.715961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.715961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.715961 (E_RNA)
where:
Base-Base interactions energy: -469.914
where: short stacking energy: -202.554
Base-Backbone interact. energy: -1.139
local terms energy: -223.662896
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -49.207
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -69.274
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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -628.096183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.096183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.096183 (E_RNA)
where:
Base-Base interactions energy: -428.268
where: short stacking energy: -191.783
Base-Backbone interact. energy: 0.052
local terms energy: -199.880734
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -41.032
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -48.536
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: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -671.769802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.769802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.769802 (E_RNA)
where:
Base-Base interactions energy: -449.620
where: short stacking energy: -205.857
Base-Backbone interact. energy: -0.087
local terms energy: -222.062386
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -40.627
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -68.111
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: 472
Temperature: 1.100000
Total energy: -579.596591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.596591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.596591 (E_RNA)
where:
Base-Base interactions energy: -358.187
where: short stacking energy: -169.922
Base-Backbone interact. energy: -0.683
local terms energy: -220.726181
where:
bonds (distance) C4'-P energy: -42.980
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -60.644
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: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -525.482663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.482663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.482663 (E_RNA)
where:
Base-Base interactions energy: -356.946
where: short stacking energy: -171.067
Base-Backbone interact. energy: -0.998
local terms energy: -167.538108
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -45.755
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -42.056
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -465.914279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.914279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.914279 (E_RNA)
where:
Base-Base interactions energy: -298.270
where: short stacking energy: -133.662
Base-Backbone interact. energy: 0.683
local terms energy: -168.326775
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -31.674
tors. eta vs tors. theta energy: -36.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -372.399938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.399938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.399938 (E_RNA)
where:
Base-Base interactions energy: -210.791
where: short stacking energy: -100.158
Base-Backbone interact. energy: -1.454
local terms energy: -160.154787
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -322.573335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.573335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.573335 (E_RNA)
where:
Base-Base interactions energy: -180.534
where: short stacking energy: -80.233
Base-Backbone interact. energy: -0.998
local terms energy: -141.041724
where:
bonds (distance) C4'-P energy: -38.851
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -280.773563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.773563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.773563 (E_RNA)
where:
Base-Base interactions energy: -122.402
where: short stacking energy: -83.957
Base-Backbone interact. energy: -0.804
local terms energy: -157.566903
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -46.487
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -739.861398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.861398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.861398 (E_RNA)
where:
Base-Base interactions energy: -497.777
where: short stacking energy: -221.712
Base-Backbone interact. energy: -1.428
local terms energy: -240.655506
where:
bonds (distance) C4'-P energy: -45.003
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -71.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -726.318425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.318425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.318425 (E_RNA)
where:
Base-Base interactions energy: -484.333
where: short stacking energy: -220.927
Base-Backbone interact. energy: 0.831
local terms energy: -242.816428
where:
bonds (distance) C4'-P energy: -43.619
bonds (distance) P-C4' energy: -46.340
flat angles C4'-P-C4' energy: -48.039
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -70.233
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: 473
Temperature: 1.000000
Total energy: -617.240749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.240749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.240749 (E_RNA)
where:
Base-Base interactions energy: -408.649
where: short stacking energy: -173.354
Base-Backbone interact. energy: -0.119
local terms energy: -208.473050
where:
bonds (distance) C4'-P energy: -42.995
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -45.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -672.150114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.150114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.150114 (E_RNA)
where:
Base-Base interactions energy: -435.017
where: short stacking energy: -204.996
Base-Backbone interact. energy: -0.537
local terms energy: -236.595878
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -64.626
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: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -584.044042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.044042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.044042 (E_RNA)
where:
Base-Base interactions energy: -380.988
where: short stacking energy: -178.740
Base-Backbone interact. energy: 0.729
local terms energy: -203.785207
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -55.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -492.560565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.560565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.560565 (E_RNA)
where:
Base-Base interactions energy: -302.813
where: short stacking energy: -143.209
Base-Backbone interact. energy: -1.581
local terms energy: -188.167223
where:
bonds (distance) C4'-P energy: -39.867
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -35.219
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -451.797940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.797940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.797940 (E_RNA)
where:
Base-Base interactions energy: -296.871
where: short stacking energy: -130.193
Base-Backbone interact. energy: 1.763
local terms energy: -156.689312
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -26.412
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: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -367.414624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.414624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.414624 (E_RNA)
where:
Base-Base interactions energy: -211.507
where: short stacking energy: -110.851
Base-Backbone interact. energy: 0.832
local terms energy: -156.739693
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -28.952
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -334.329517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.329517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.329517 (E_RNA)
where:
Base-Base interactions energy: -192.145
where: short stacking energy: -107.336
Base-Backbone interact. energy: 1.909
local terms energy: -144.093477
where:
bonds (distance) C4'-P energy: -32.244
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -237.948423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.948423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.948423 (E_RNA)
where:
Base-Base interactions energy: -123.419
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.517
local terms energy: -114.012940
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -742.037801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.037801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.037801 (E_RNA)
where:
Base-Base interactions energy: -505.164
where: short stacking energy: -229.224
Base-Backbone interact. energy: -1.246
local terms energy: -235.627699
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -50.888
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -70.688
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: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -694.997213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.997213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.997213 (E_RNA)
where:
Base-Base interactions energy: -476.086
where: short stacking energy: -213.640
Base-Backbone interact. energy: 0.149
local terms energy: -219.060416
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -67.935
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: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -696.147297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.147297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.147297 (E_RNA)
where:
Base-Base interactions energy: -452.976
where: short stacking energy: -205.762
Base-Backbone interact. energy: -0.737
local terms energy: -242.434450
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -72.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -601.397708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.397708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.397708 (E_RNA)
where:
Base-Base interactions energy: -413.510
where: short stacking energy: -181.104
Base-Backbone interact. energy: -0.478
local terms energy: -187.409576
where:
bonds (distance) C4'-P energy: -38.645
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -42.733
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -46.506
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: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -573.265609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.265609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.265609 (E_RNA)
where:
Base-Base interactions energy: -365.287
where: short stacking energy: -174.062
Base-Backbone interact. energy: 1.316
local terms energy: -209.294484
where:
bonds (distance) C4'-P energy: -40.156
bonds (distance) P-C4' energy: -43.961
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -51.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -491.529678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.529678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.529678 (E_RNA)
where:
Base-Base interactions energy: -304.632
where: short stacking energy: -128.901
Base-Backbone interact. energy: -0.668
local terms energy: -186.229891
where:
bonds (distance) C4'-P energy: -35.713
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -37.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -465.983139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.983139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.983139 (E_RNA)
where:
Base-Base interactions energy: -303.745
where: short stacking energy: -134.761
Base-Backbone interact. energy: 0.104
local terms energy: -162.342238
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -34.191
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: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -366.784364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.784364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.784364 (E_RNA)
where:
Base-Base interactions energy: -196.885
where: short stacking energy: -98.937
Base-Backbone interact. energy: -0.414
local terms energy: -169.486078
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -45.639
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -331.285661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.285661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.285661 (E_RNA)
where:
Base-Base interactions energy: -183.306
where: short stacking energy: -93.200
Base-Backbone interact. energy: -2.252
local terms energy: -145.727692
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -36.588
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -185.766146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.766146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.766146 (E_RNA)
where:
Base-Base interactions energy: -70.206
where: short stacking energy: -68.633
Base-Backbone interact. energy: 0.715
local terms energy: -116.275170
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -739.100032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.100032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.100032 (E_RNA)
where:
Base-Base interactions energy: -496.093
where: short stacking energy: -218.927
Base-Backbone interact. energy: -0.332
local terms energy: -242.674345
where:
bonds (distance) C4'-P energy: -43.885
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -35.734
tors. eta vs tors. theta energy: -71.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -708.354346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.354346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.354346 (E_RNA)
where:
Base-Base interactions energy: -479.637
where: short stacking energy: -224.971
Base-Backbone interact. energy: -0.021
local terms energy: -228.696702
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -48.851
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -71.065
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: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -670.697954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.697954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.697954 (E_RNA)
where:
Base-Base interactions energy: -435.513
where: short stacking energy: -191.460
Base-Backbone interact. energy: -1.057
local terms energy: -234.128017
where:
bonds (distance) C4'-P energy: -43.806
bonds (distance) P-C4' energy: -46.605
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -67.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -580.607692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.607692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.607692 (E_RNA)
where:
Base-Base interactions energy: -396.493
where: short stacking energy: -151.648
Base-Backbone interact. energy: -0.717
local terms energy: -183.396816
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -45.685
flat angles C4'-P-C4' energy: -40.313
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -37.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -564.717781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.717781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.717781 (E_RNA)
where:
Base-Base interactions energy: -367.205
where: short stacking energy: -170.910
Base-Backbone interact. energy: -0.310
local terms energy: -197.202611
where:
bonds (distance) C4'-P energy: -40.982
bonds (distance) P-C4' energy: -42.630
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -50.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -520.450774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.450774 (E_RNA)
where:
Base-Base interactions energy: -330.162
where: short stacking energy: -138.605
Base-Backbone interact. energy: -2.561
local terms energy: -187.726816
where:
bonds (distance) C4'-P energy: -35.162
bonds (distance) P-C4' energy: -42.846
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -31.262
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -462.562413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.562413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.562413 (E_RNA)
where:
Base-Base interactions energy: -288.716
where: short stacking energy: -152.262
Base-Backbone interact. energy: -1.000
local terms energy: -172.845546
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -34.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -360.298694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.298694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.298694 (E_RNA)
where:
Base-Base interactions energy: -208.451
where: short stacking energy: -109.517
Base-Backbone interact. energy: -1.479
local terms energy: -150.368359
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -330.712378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.712378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.712378 (E_RNA)
where:
Base-Base interactions energy: -193.169
where: short stacking energy: -95.460
Base-Backbone interact. energy: -0.371
local terms energy: -137.172286
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -191.062081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.062081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.062081 (E_RNA)
where:
Base-Base interactions energy: -66.882
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.519
local terms energy: -123.661415
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: 7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -706.383502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.383502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.383502 (E_RNA)
where:
Base-Base interactions energy: -487.241
where: short stacking energy: -225.403
Base-Backbone interact. energy: -0.781
local terms energy: -218.361437
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -47.843
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -69.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -719.491658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.491658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.491658 (E_RNA)
where:
Base-Base interactions energy: -499.774
where: short stacking energy: -225.411
Base-Backbone interact. energy: -0.515
local terms energy: -219.202064
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -39.217
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -669.265392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.265392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.265392 (E_RNA)
where:
Base-Base interactions energy: -448.469
where: short stacking energy: -196.082
Base-Backbone interact. energy: -0.416
local terms energy: -220.380471
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -40.598
flat angles C4'-P-C4' energy: -47.529
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -66.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -619.521244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.521244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.521244 (E_RNA)
where:
Base-Base interactions energy: -424.456
where: short stacking energy: -182.113
Base-Backbone interact. energy: 0.628
local terms energy: -195.693217
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -46.986
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: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -570.951325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.951325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.951325 (E_RNA)
where:
Base-Base interactions energy: -369.561
where: short stacking energy: -180.877
Base-Backbone interact. energy: 0.048
local terms energy: -201.439024
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -43.255
flat angles P-C4'-P energy: -24.886
tors. eta vs tors. theta energy: -54.908
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -525.156399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.156399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.156399 (E_RNA)
where:
Base-Base interactions energy: -359.328
where: short stacking energy: -166.587
Base-Backbone interact. energy: -0.247
local terms energy: -165.580828
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -41.027
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -41.523
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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -466.582569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.582569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.582569 (E_RNA)
where:
Base-Base interactions energy: -302.149
where: short stacking energy: -133.309
Base-Backbone interact. energy: -1.245
local terms energy: -163.188364
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -35.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -360.670145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.670145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.670145 (E_RNA)
where:
Base-Base interactions energy: -213.409
where: short stacking energy: -99.378
Base-Backbone interact. energy: -0.898
local terms energy: -146.363248
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -360.576853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.576853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.576853 (E_RNA)
where:
Base-Base interactions energy: -216.167
where: short stacking energy: -104.394
Base-Backbone interact. energy: -0.491
local terms energy: -143.918293
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -193.492990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.492990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.492990 (E_RNA)
where:
Base-Base interactions energy: -58.299
where: short stacking energy: -52.677
Base-Backbone interact. energy: -0.780
local terms energy: -134.414042
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -710.044717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.044717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.044717 (E_RNA)
where:
Base-Base interactions energy: -475.654
where: short stacking energy: -222.745
Base-Backbone interact. energy: -0.100
local terms energy: -234.290737
where:
bonds (distance) C4'-P energy: -39.921
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -68.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -732.941510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.941510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.941510 (E_RNA)
where:
Base-Base interactions energy: -511.074
where: short stacking energy: -232.805
Base-Backbone interact. energy: -0.006
local terms energy: -221.861718
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -69.949
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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -665.094729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.094729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.094729 (E_RNA)
where:
Base-Base interactions energy: -453.492
where: short stacking energy: -197.872
Base-Backbone interact. energy: -0.598
local terms energy: -211.004493
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -42.154
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -58.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -581.328641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.328641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.328641 (E_RNA)
where:
Base-Base interactions energy: -383.038
where: short stacking energy: -160.305
Base-Backbone interact. energy: 1.738
local terms energy: -200.028415
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -37.803
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -48.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -591.847856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.847856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.847856 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -179.813
Base-Backbone interact. energy: -0.994
local terms energy: -209.051611
where:
bonds (distance) C4'-P energy: -42.260
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -54.336
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: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -533.883224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.883224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.883224 (E_RNA)
where:
Base-Base interactions energy: -355.164
where: short stacking energy: -167.862
Base-Backbone interact. energy: -0.409
local terms energy: -178.310208
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -38.189
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -30.818
tors. eta vs tors. theta energy: -41.093
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: 477
Temperature: 1.200000
Total energy: -483.062518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.062518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.062518 (E_RNA)
where:
Base-Base interactions energy: -288.617
where: short stacking energy: -137.663
Base-Backbone interact. energy: 1.374
local terms energy: -195.820176
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -40.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -351.295828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.295828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.295828 (E_RNA)
where:
Base-Base interactions energy: -205.225
where: short stacking energy: -97.381
Base-Backbone interact. energy: -0.958
local terms energy: -145.111978
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -39.423
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -15.390
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: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -313.474279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.474279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.474279 (E_RNA)
where:
Base-Base interactions energy: -173.520
where: short stacking energy: -83.947
Base-Backbone interact. energy: -1.630
local terms energy: -138.324252
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -42.019
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -8.707
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: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -186.686070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.686070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.686070 (E_RNA)
where:
Base-Base interactions energy: -74.776
where: short stacking energy: -52.015
Base-Backbone interact. energy: 1.302
local terms energy: -113.211822
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -38.977
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: 8.112
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: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -748.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.118084 (E_RNA)
where:
Base-Base interactions energy: -496.843
where: short stacking energy: -223.507
Base-Backbone interact. energy: -1.062
local terms energy: -250.213249
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -35.741
tors. eta vs tors. theta energy: -75.804
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: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -689.623639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.623639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.623639 (E_RNA)
where:
Base-Base interactions energy: -466.606
where: short stacking energy: -211.704
Base-Backbone interact. energy: -0.197
local terms energy: -222.820255
where:
bonds (distance) C4'-P energy: -39.147
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -69.566
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: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -659.409177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.409177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.409177 (E_RNA)
where:
Base-Base interactions energy: -441.894
where: short stacking energy: -192.017
Base-Backbone interact. energy: -1.181
local terms energy: -216.334072
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -623.454207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.454207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.454207 (E_RNA)
where:
Base-Base interactions energy: -412.644
where: short stacking energy: -180.203
Base-Backbone interact. energy: -2.157
local terms energy: -208.653568
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -51.061
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: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -579.838765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.838765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.838765 (E_RNA)
where:
Base-Base interactions energy: -360.001
where: short stacking energy: -168.865
Base-Backbone interact. energy: -0.227
local terms energy: -219.610512
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -39.488
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -59.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -529.666264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.666264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.666264 (E_RNA)
where:
Base-Base interactions energy: -349.077
where: short stacking energy: -145.402
Base-Backbone interact. energy: -0.923
local terms energy: -179.666509
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -32.166
tors. eta vs tors. theta energy: -35.796
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: 478
Temperature: 1.200000
Total energy: -448.396941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.396941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.396941 (E_RNA)
where:
Base-Base interactions energy: -275.389
where: short stacking energy: -131.793
Base-Backbone interact. energy: -0.151
local terms energy: -172.857057
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -34.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -352.725075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.725075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.725075 (E_RNA)
where:
Base-Base interactions energy: -207.877
where: short stacking energy: -102.239
Base-Backbone interact. energy: 1.086
local terms energy: -145.934055
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -335.464844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.464844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.464844 (E_RNA)
where:
Base-Base interactions energy: -194.052
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.831
local terms energy: -140.580936
where:
bonds (distance) C4'-P energy: -43.136
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -183.270005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.270005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.270005 (E_RNA)
where:
Base-Base interactions energy: -68.687
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.394
local terms energy: -114.188565
where:
bonds (distance) C4'-P energy: -35.097
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: 2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -744.709425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.709425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.709425 (E_RNA)
where:
Base-Base interactions energy: -514.612
where: short stacking energy: -228.033
Base-Backbone interact. energy: -1.269
local terms energy: -228.828312
where:
bonds (distance) C4'-P energy: -41.320
bonds (distance) P-C4' energy: -31.888
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -35.198
tors. eta vs tors. theta energy: -71.185
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -692.929744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.929744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.929744 (E_RNA)
where:
Base-Base interactions energy: -458.339
where: short stacking energy: -200.532
Base-Backbone interact. energy: -0.235
local terms energy: -234.355901
where:
bonds (distance) C4'-P energy: -41.787
bonds (distance) P-C4' energy: -45.394
flat angles C4'-P-C4' energy: -46.839
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -72.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -685.643950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.643950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.643950 (E_RNA)
where:
Base-Base interactions energy: -456.917
where: short stacking energy: -219.474
Base-Backbone interact. energy: -0.234
local terms energy: -228.492783
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -44.954
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -70.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -613.915180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.915180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.915180 (E_RNA)
where:
Base-Base interactions energy: -416.583
where: short stacking energy: -181.898
Base-Backbone interact. energy: -0.576
local terms energy: -196.755757
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -32.894
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -560.272569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.272569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.272569 (E_RNA)
where:
Base-Base interactions energy: -368.502
where: short stacking energy: -181.076
Base-Backbone interact. energy: 0.243
local terms energy: -192.013303
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -44.986
flat angles P-C4'-P energy: -31.221
tors. eta vs tors. theta energy: -48.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -531.436162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.436162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.436162 (E_RNA)
where:
Base-Base interactions energy: -361.849
where: short stacking energy: -148.749
Base-Backbone interact. energy: -0.790
local terms energy: -168.797290
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -43.187
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -41.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -433.419933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.419933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.419933 (E_RNA)
where:
Base-Base interactions energy: -268.478
where: short stacking energy: -138.111
Base-Backbone interact. energy: -0.573
local terms energy: -164.368920
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -34.024
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: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -360.924692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.924692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.924692 (E_RNA)
where:
Base-Base interactions energy: -212.083
where: short stacking energy: -98.074
Base-Backbone interact. energy: 1.854
local terms energy: -150.695754
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -44.049
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -370.614872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.614872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.614872 (E_RNA)
where:
Base-Base interactions energy: -213.135
where: short stacking energy: -117.054
Base-Backbone interact. energy: -1.203
local terms energy: -156.277529
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -176.167233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.167233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167233 (E_RNA)
where:
Base-Base interactions energy: -66.272
where: short stacking energy: -43.658
Base-Backbone interact. energy: -1.543
local terms energy: -108.352546
where:
bonds (distance) C4'-P energy: -26.403
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -738.545257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.545257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.545257 (E_RNA)
where:
Base-Base interactions energy: -506.019
where: short stacking energy: -220.553
Base-Backbone interact. energy: -0.432
local terms energy: -232.094678
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -49.608
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -68.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -699.784892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.784892 (E_RNA)
where:
Base-Base interactions energy: -466.023
where: short stacking energy: -210.670
Base-Backbone interact. energy: -0.166
local terms energy: -233.595913
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: -70.482
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: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -688.376719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.376719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.376719 (E_RNA)
where:
Base-Base interactions energy: -462.934
where: short stacking energy: -220.531
Base-Backbone interact. energy: 0.228
local terms energy: -225.671335
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -44.788
flat angles C4'-P-C4' energy: -45.155
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -66.731
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: 480
Temperature: 1.050000
Total energy: -605.393831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.393831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.393831 (E_RNA)
where:
Base-Base interactions energy: -399.633
where: short stacking energy: -162.707
Base-Backbone interact. energy: -1.535
local terms energy: -204.225858
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -47.768
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -45.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -602.118533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.118533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.118533 (E_RNA)
where:
Base-Base interactions energy: -390.558
where: short stacking energy: -186.327
Base-Backbone interact. energy: -1.644
local terms energy: -209.916789
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -61.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -552.356968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.356968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.356968 (E_RNA)
where:
Base-Base interactions energy: -378.411
where: short stacking energy: -157.539
Base-Backbone interact. energy: 1.225
local terms energy: -175.171778
where:
bonds (distance) C4'-P energy: -39.488
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -43.274
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -34.322
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: 480
Temperature: 1.200000
Total energy: -420.686818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.686818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.686818 (E_RNA)
where:
Base-Base interactions energy: -255.809
where: short stacking energy: -135.920
Base-Backbone interact. energy: 0.102
local terms energy: -164.979936
where:
bonds (distance) C4'-P energy: -26.995
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -29.450
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: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -384.428977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.428977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.428977 (E_RNA)
where:
Base-Base interactions energy: -238.266
where: short stacking energy: -111.420
Base-Backbone interact. energy: 0.425
local terms energy: -146.587921
where:
bonds (distance) C4'-P energy: -41.230
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -34.016
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -356.731417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.731417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.731417 (E_RNA)
where:
Base-Base interactions energy: -191.167
where: short stacking energy: -92.687
Base-Backbone interact. energy: -0.541
local terms energy: -165.023953
where:
bonds (distance) C4'-P energy: -48.027
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -31.298
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -191.548659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.548659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.548659 (E_RNA)
where:
Base-Base interactions energy: -87.797
where: short stacking energy: -52.717
Base-Backbone interact. energy: -1.698
local terms energy: -102.053851
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -36.858
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: 6.107
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -747.502861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.502861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.502861 (E_RNA)
where:
Base-Base interactions energy: -511.823
where: short stacking energy: -223.566
Base-Backbone interact. energy: -0.344
local terms energy: -235.336738
where:
bonds (distance) C4'-P energy: -48.151
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -70.476
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -691.486844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.486844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.486844 (E_RNA)
where:
Base-Base interactions energy: -461.024
where: short stacking energy: -211.055
Base-Backbone interact. energy: -1.433
local terms energy: -229.030092
where:
bonds (distance) C4'-P energy: -42.318
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -45.683
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -691.022945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.022945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.022945 (E_RNA)
where:
Base-Base interactions energy: -463.480
where: short stacking energy: -214.966
Base-Backbone interact. energy: -0.203
local terms energy: -227.340534
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -71.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -606.115237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.115237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.115237 (E_RNA)
where:
Base-Base interactions energy: -420.518
where: short stacking energy: -171.383
Base-Backbone interact. energy: 1.754
local terms energy: -187.350850
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -577.944081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.944081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.944081 (E_RNA)
where:
Base-Base interactions energy: -388.601
where: short stacking energy: -173.654
Base-Backbone interact. energy: -0.063
local terms energy: -189.280015
where:
bonds (distance) C4'-P energy: -36.382
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -40.385
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -52.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -535.031282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.031282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.031282 (E_RNA)
where:
Base-Base interactions energy: -362.631
where: short stacking energy: -157.413
Base-Backbone interact. energy: 1.630
local terms energy: -174.030309
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -43.697
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -40.701
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: 481
Temperature: 1.200000
Total energy: -397.179912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.179912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.179912 (E_RNA)
where:
Base-Base interactions energy: -233.094
where: short stacking energy: -115.173
Base-Backbone interact. energy: -1.319
local terms energy: -162.766227
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -40.591
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -405.163798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.163798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.163798 (E_RNA)
where:
Base-Base interactions energy: -253.115
where: short stacking energy: -113.360
Base-Backbone interact. energy: -0.603
local terms energy: -151.445386
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -310.008000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.008000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.008000 (E_RNA)
where:
Base-Base interactions energy: -186.514
where: short stacking energy: -101.668
Base-Backbone interact. energy: -0.244
local terms energy: -123.249537
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -5.706
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: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -188.696603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.696603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.696603 (E_RNA)
where:
Base-Base interactions energy: -62.292
where: short stacking energy: -58.587
Base-Backbone interact. energy: 0.551
local terms energy: -126.955964
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -744.702133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.702133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.702133 (E_RNA)
where:
Base-Base interactions energy: -502.997
where: short stacking energy: -218.405
Base-Backbone interact. energy: -0.292
local terms energy: -241.413339
where:
bonds (distance) C4'-P energy: -38.992
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -51.523
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -68.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -685.692240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.692240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.692240 (E_RNA)
where:
Base-Base interactions energy: -457.728
where: short stacking energy: -206.735
Base-Backbone interact. energy: -0.173
local terms energy: -227.791082
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -67.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -667.451466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.451466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.451466 (E_RNA)
where:
Base-Base interactions energy: -447.566
where: short stacking energy: -210.965
Base-Backbone interact. energy: -0.613
local terms energy: -219.272013
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -46.667
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -66.020
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: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -619.132192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.132192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.132192 (E_RNA)
where:
Base-Base interactions energy: -423.290
where: short stacking energy: -175.353
Base-Backbone interact. energy: -0.570
local terms energy: -195.271936
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -27.449
tors. eta vs tors. theta energy: -41.701
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: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -592.605513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.605513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.605513 (E_RNA)
where:
Base-Base interactions energy: -393.755
where: short stacking energy: -175.916
Base-Backbone interact. energy: -1.260
local terms energy: -197.589969
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -53.089
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -545.616233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.616233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.616233 (E_RNA)
where:
Base-Base interactions energy: -358.976
where: short stacking energy: -154.592
Base-Backbone interact. energy: -1.436
local terms energy: -185.204953
where:
bonds (distance) C4'-P energy: -39.805
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -46.573
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: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -442.418959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.418959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.418959 (E_RNA)
where:
Base-Base interactions energy: -269.518
where: short stacking energy: -132.254
Base-Backbone interact. energy: -0.190
local terms energy: -172.711595
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -40.881
flat angles P-C4'-P energy: -26.653
tors. eta vs tors. theta energy: -30.619
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: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -395.674675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.674675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.674675 (E_RNA)
where:
Base-Base interactions energy: -234.051
where: short stacking energy: -108.513
Base-Backbone interact. energy: -0.718
local terms energy: -160.906096
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -38.945
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -309.969115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.969115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.969115 (E_RNA)
where:
Base-Base interactions energy: -170.169
where: short stacking energy: -94.365
Base-Backbone interact. energy: 1.609
local terms energy: -141.408449
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -169.127058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.127058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.127058 (E_RNA)
where:
Base-Base interactions energy: -68.683
where: short stacking energy: -33.632
Base-Backbone interact. energy: 0.874
local terms energy: -101.318657
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -40.289
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: 6.588
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: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -735.040814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.040814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.040814 (E_RNA)
where:
Base-Base interactions energy: -501.996
where: short stacking energy: -218.711
Base-Backbone interact. energy: -1.664
local terms energy: -231.381287
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -72.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -692.424823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.424823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.424823 (E_RNA)
where:
Base-Base interactions energy: -464.565
where: short stacking energy: -212.720
Base-Backbone interact. energy: -0.495
local terms energy: -227.364889
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -64.476
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: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -708.461514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.461514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.461514 (E_RNA)
where:
Base-Base interactions energy: -468.057
where: short stacking energy: -218.477
Base-Backbone interact. energy: -0.110
local terms energy: -240.294686
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -75.455
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -579.469761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.469761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.469761 (E_RNA)
where:
Base-Base interactions energy: -371.532
where: short stacking energy: -185.691
Base-Backbone interact. energy: -0.114
local terms energy: -207.823731
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -42.318
flat angles C4'-P-C4' energy: -47.882
flat angles P-C4'-P energy: -27.862
tors. eta vs tors. theta energy: -52.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -578.708804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.708804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.708804 (E_RNA)
where:
Base-Base interactions energy: -387.310
where: short stacking energy: -163.973
Base-Backbone interact. energy: -0.581
local terms energy: -190.817915
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -43.349
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -34.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -529.223219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.223219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.223219 (E_RNA)
where:
Base-Base interactions energy: -346.074
where: short stacking energy: -155.427
Base-Backbone interact. energy: -1.390
local terms energy: -181.759116
where:
bonds (distance) C4'-P energy: -36.325
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -39.810
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -42.961
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: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -402.292387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.292387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.292387 (E_RNA)
where:
Base-Base interactions energy: -250.758
where: short stacking energy: -114.840
Base-Backbone interact. energy: 0.359
local terms energy: -151.893131
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -13.426
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: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -347.973418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.973418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.973418 (E_RNA)
where:
Base-Base interactions energy: -195.581
where: short stacking energy: -114.591
Base-Backbone interact. energy: -0.720
local terms energy: -151.671933
where:
bonds (distance) C4'-P energy: -39.724
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -330.754730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.754730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.754730 (E_RNA)
where:
Base-Base interactions energy: -185.677
where: short stacking energy: -79.592
Base-Backbone interact. energy: -1.347
local terms energy: -143.731490
where:
bonds (distance) C4'-P energy: -43.358
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -183.886819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.886819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.886819 (E_RNA)
where:
Base-Base interactions energy: -61.292
where: short stacking energy: -48.785
Base-Backbone interact. energy: -0.571
local terms energy: -122.023058
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: 4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -741.408165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.408165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.408165 (E_RNA)
where:
Base-Base interactions energy: -490.082
where: short stacking energy: -216.778
Base-Backbone interact. energy: -0.439
local terms energy: -250.887084
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -45.300
flat angles C4'-P-C4' energy: -47.746
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -69.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -686.450767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.450767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.450767 (E_RNA)
where:
Base-Base interactions energy: -450.604
where: short stacking energy: -196.994
Base-Backbone interact. energy: -0.759
local terms energy: -235.087889
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -65.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -678.630241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.630241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.630241 (E_RNA)
where:
Base-Base interactions energy: -451.878
where: short stacking energy: -204.275
Base-Backbone interact. energy: -1.215
local terms energy: -225.537633
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -43.479
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -68.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -561.439291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.439291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.439291 (E_RNA)
where:
Base-Base interactions energy: -357.059
where: short stacking energy: -172.003
Base-Backbone interact. energy: 1.486
local terms energy: -205.866080
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -42.299
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -52.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -571.595712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.595712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.595712 (E_RNA)
where:
Base-Base interactions energy: -397.913
where: short stacking energy: -149.492
Base-Backbone interact. energy: -0.894
local terms energy: -172.788785
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -525.016096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.016096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.016096 (E_RNA)
where:
Base-Base interactions energy: -349.584
where: short stacking energy: -161.936
Base-Backbone interact. energy: -0.361
local terms energy: -175.071595
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -47.540
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -39.697
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: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -414.408078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.408078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.408078 (E_RNA)
where:
Base-Base interactions energy: -248.117
where: short stacking energy: -124.948
Base-Backbone interact. energy: 0.846
local terms energy: -167.136848
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -42.590
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -29.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -376.427991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.427991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.427991 (E_RNA)
where:
Base-Base interactions energy: -210.792
where: short stacking energy: -114.950
Base-Backbone interact. energy: -0.287
local terms energy: -165.349365
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -39.632
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -351.495579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.495579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.495579 (E_RNA)
where:
Base-Base interactions energy: -217.390
where: short stacking energy: -100.370
Base-Backbone interact. energy: -0.439
local terms energy: -133.666219
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -198.898582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.898582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.898582 (E_RNA)
where:
Base-Base interactions energy: -59.682
where: short stacking energy: -42.120
Base-Backbone interact. energy: -1.873
local terms energy: -137.343522
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -30.285
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: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -742.178467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.178467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.178467 (E_RNA)
where:
Base-Base interactions energy: -507.829
where: short stacking energy: -231.018
Base-Backbone interact. energy: -0.148
local terms energy: -234.201611
where:
bonds (distance) C4'-P energy: -38.877
bonds (distance) P-C4' energy: -44.851
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -72.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -697.750554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.750554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.750554 (E_RNA)
where:
Base-Base interactions energy: -473.314
where: short stacking energy: -200.334
Base-Backbone interact. energy: 2.492
local terms energy: -226.928467
where:
bonds (distance) C4'-P energy: -43.320
bonds (distance) P-C4' energy: -40.179
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -66.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -665.393894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.393894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.393894 (E_RNA)
where:
Base-Base interactions energy: -444.864
where: short stacking energy: -200.791
Base-Backbone interact. energy: -0.199
local terms energy: -220.331204
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -46.610
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -29.670
tors. eta vs tors. theta energy: -66.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -587.803437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.803437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.803437 (E_RNA)
where:
Base-Base interactions energy: -397.748
where: short stacking energy: -175.689
Base-Backbone interact. energy: 2.082
local terms energy: -192.137124
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -45.354
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: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -547.633800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.633800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.633800 (E_RNA)
where:
Base-Base interactions energy: -350.268
where: short stacking energy: -166.478
Base-Backbone interact. energy: -0.279
local terms energy: -197.087639
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -536.651954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.651954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.651954 (E_RNA)
where:
Base-Base interactions energy: -360.683
where: short stacking energy: -154.441
Base-Backbone interact. energy: -1.234
local terms energy: -174.734631
where:
bonds (distance) C4'-P energy: -42.626
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -39.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -398.892813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.892813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.892813 (E_RNA)
where:
Base-Base interactions energy: -239.862
where: short stacking energy: -106.027
Base-Backbone interact. energy: -0.562
local terms energy: -158.469088
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -361.844534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.844534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.844534 (E_RNA)
where:
Base-Base interactions energy: -219.641
where: short stacking energy: -92.433
Base-Backbone interact. energy: 1.652
local terms energy: -143.855250
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -38.713
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -379.758245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.758245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.758245 (E_RNA)
where:
Base-Base interactions energy: -231.590
where: short stacking energy: -99.639
Base-Backbone interact. energy: -2.767
local terms energy: -145.400845
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -183.931271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.931271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.931271 (E_RNA)
where:
Base-Base interactions energy: -71.173
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.319
local terms energy: -112.439903
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -727.366286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.366286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.366286 (E_RNA)
where:
Base-Base interactions energy: -487.977
where: short stacking energy: -215.455
Base-Backbone interact. energy: -0.251
local terms energy: -239.138537
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -45.040
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -69.428
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: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -699.850529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.850529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.850529 (E_RNA)
where:
Base-Base interactions energy: -465.733
where: short stacking energy: -207.144
Base-Backbone interact. energy: -0.972
local terms energy: -233.145473
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -668.430413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.430413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.430413 (E_RNA)
where:
Base-Base interactions energy: -448.547
where: short stacking energy: -204.971
Base-Backbone interact. energy: 1.385
local terms energy: -221.268249
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -47.708
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -59.967
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: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -565.192269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.192269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.192269 (E_RNA)
where:
Base-Base interactions energy: -386.650
where: short stacking energy: -152.126
Base-Backbone interact. energy: -1.260
local terms energy: -177.282196
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -525.730892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.730892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.730892 (E_RNA)
where:
Base-Base interactions energy: -334.720
where: short stacking energy: -165.156
Base-Backbone interact. energy: -0.305
local terms energy: -190.706332
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -41.435
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -43.434
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: 486
Temperature: 1.150000
Total energy: -525.807780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.807780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.807780 (E_RNA)
where:
Base-Base interactions energy: -340.263
where: short stacking energy: -148.235
Base-Backbone interact. energy: -0.556
local terms energy: -184.988983
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -38.873
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -46.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -386.725080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.725080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.725080 (E_RNA)
where:
Base-Base interactions energy: -226.465
where: short stacking energy: -106.998
Base-Backbone interact. energy: -1.669
local terms energy: -158.590719
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -18.540
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: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -343.251757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.251757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.251757 (E_RNA)
where:
Base-Base interactions energy: -194.631
where: short stacking energy: -94.299
Base-Backbone interact. energy: -1.163
local terms energy: -147.457932
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -335.384199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.384199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.384199 (E_RNA)
where:
Base-Base interactions energy: -187.046
where: short stacking energy: -99.085
Base-Backbone interact. energy: -0.708
local terms energy: -147.630256
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -184.724758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.724758 (E_RNA)
where:
Base-Base interactions energy: -66.652
where: short stacking energy: -55.796
Base-Backbone interact. energy: -1.119
local terms energy: -116.953597
where:
bonds (distance) C4'-P energy: -38.165
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: 1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -725.746839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.746839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.746839 (E_RNA)
where:
Base-Base interactions energy: -502.876
where: short stacking energy: -214.245
Base-Backbone interact. energy: -0.445
local terms energy: -222.425920
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -68.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -703.076068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.076068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.076068 (E_RNA)
where:
Base-Base interactions energy: -460.401
where: short stacking energy: -217.776
Base-Backbone interact. energy: -1.657
local terms energy: -241.018318
where:
bonds (distance) C4'-P energy: -37.428
bonds (distance) P-C4' energy: -46.139
flat angles C4'-P-C4' energy: -52.776
flat angles P-C4'-P energy: -35.253
tors. eta vs tors. theta energy: -69.422
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: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -658.603768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.603768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.603768 (E_RNA)
where:
Base-Base interactions energy: -439.250
where: short stacking energy: -202.364
Base-Backbone interact. energy: -0.951
local terms energy: -218.402524
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -612.027342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.027342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.027342 (E_RNA)
where:
Base-Base interactions energy: -403.545
where: short stacking energy: -170.897
Base-Backbone interact. energy: 0.549
local terms energy: -209.030851
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -48.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -505.942440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.942440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.942440 (E_RNA)
where:
Base-Base interactions energy: -328.897
where: short stacking energy: -151.998
Base-Backbone interact. energy: -0.509
local terms energy: -176.535949
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -537.978763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.978763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.978763 (E_RNA)
where:
Base-Base interactions energy: -338.015
where: short stacking energy: -170.881
Base-Backbone interact. energy: -0.523
local terms energy: -199.439839
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -38.845
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -54.712
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: 487
Temperature: 1.200000
Total energy: -429.687410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.687410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.687410 (E_RNA)
where:
Base-Base interactions energy: -280.022
where: short stacking energy: -117.795
Base-Backbone interact. energy: -0.717
local terms energy: -148.948432
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -23.544
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: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -328.634578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.634578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.634578 (E_RNA)
where:
Base-Base interactions energy: -184.379
where: short stacking energy: -88.354
Base-Backbone interact. energy: 1.129
local terms energy: -145.384530
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -330.016028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.016028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.016028 (E_RNA)
where:
Base-Base interactions energy: -184.389
where: short stacking energy: -99.221
Base-Backbone interact. energy: -0.494
local terms energy: -145.132893
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -42.777
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -186.375677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.375677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.375677 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.374
local terms energy: -131.720175
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -0.825
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: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -703.134742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.134742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.134742 (E_RNA)
where:
Base-Base interactions energy: -464.526
where: short stacking energy: -220.932
Base-Backbone interact. energy: -0.244
local terms energy: -238.364764
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -70.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -720.693430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.693430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.693430 (E_RNA)
where:
Base-Base interactions energy: -497.089
where: short stacking energy: -216.587
Base-Backbone interact. energy: -0.516
local terms energy: -223.088467
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -48.110
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -72.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -655.891212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.891212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.891212 (E_RNA)
where:
Base-Base interactions energy: -433.450
where: short stacking energy: -198.762
Base-Backbone interact. energy: 1.239
local terms energy: -223.679793
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -43.553
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -64.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -603.837549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.837549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.837549 (E_RNA)
where:
Base-Base interactions energy: -415.854
where: short stacking energy: -166.981
Base-Backbone interact. energy: -0.741
local terms energy: -187.242500
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -39.340
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: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -548.921853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.921853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.921853 (E_RNA)
where:
Base-Base interactions energy: -352.600
where: short stacking energy: -156.189
Base-Backbone interact. energy: -1.096
local terms energy: -195.226169
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -48.444
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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -505.865389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.865389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.865389 (E_RNA)
where:
Base-Base interactions energy: -325.998
where: short stacking energy: -156.708
Base-Backbone interact. energy: 1.749
local terms energy: -181.615794
where:
bonds (distance) C4'-P energy: -41.609
bonds (distance) P-C4' energy: -41.707
flat angles C4'-P-C4' energy: -38.150
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -37.618
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: 488
Temperature: 1.200000
Total energy: -426.608960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.608960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.608960 (E_RNA)
where:
Base-Base interactions energy: -265.066
where: short stacking energy: -103.115
Base-Backbone interact. energy: -0.781
local terms energy: -160.762026
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -25.280
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -340.516964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.516964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.516964 (E_RNA)
where:
Base-Base interactions energy: -192.665
where: short stacking energy: -112.041
Base-Backbone interact. energy: 1.474
local terms energy: -149.325547
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -37.870
flat angles P-C4'-P energy: -29.274
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -344.556444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.556444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.556444 (E_RNA)
where:
Base-Base interactions energy: -172.106
where: short stacking energy: -89.581
Base-Backbone interact. energy: -0.588
local terms energy: -171.862027
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -45.808
flat angles C4'-P-C4' energy: -45.891
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -194.850692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.850692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.850692 (E_RNA)
where:
Base-Base interactions energy: -67.895
where: short stacking energy: -62.125
Base-Backbone interact. energy: -0.763
local terms energy: -126.192727
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -705.623712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.623712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.623712 (E_RNA)
where:
Base-Base interactions energy: -469.825
where: short stacking energy: -219.780
Base-Backbone interact. energy: 0.505
local terms energy: -236.303072
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -45.686
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -736.254868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.254868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.254868 (E_RNA)
where:
Base-Base interactions energy: -498.461
where: short stacking energy: -211.139
Base-Backbone interact. energy: -0.591
local terms energy: -237.202804
where:
bonds (distance) C4'-P energy: -40.364
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -66.014
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: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -664.559614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.559614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.559614 (E_RNA)
where:
Base-Base interactions energy: -429.581
where: short stacking energy: -199.537
Base-Backbone interact. energy: -0.056
local terms energy: -234.922755
where:
bonds (distance) C4'-P energy: -42.783
bonds (distance) P-C4' energy: -46.782
flat angles C4'-P-C4' energy: -43.504
flat angles P-C4'-P energy: -33.896
tors. eta vs tors. theta energy: -67.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -588.574629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.574629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.574629 (E_RNA)
where:
Base-Base interactions energy: -404.127
where: short stacking energy: -157.933
Base-Backbone interact. energy: -0.891
local terms energy: -183.556777
where:
bonds (distance) C4'-P energy: -42.702
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -44.116
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -36.345
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: 489
Temperature: 1.100000
Total energy: -559.584759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.584759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.584759 (E_RNA)
where:
Base-Base interactions energy: -368.780
where: short stacking energy: -182.259
Base-Backbone interact. energy: -0.334
local terms energy: -190.470990
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -43.092
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -488.241898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.241898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.241898 (E_RNA)
where:
Base-Base interactions energy: -310.419
where: short stacking energy: -147.594
Base-Backbone interact. energy: -0.390
local terms energy: -177.432681
where:
bonds (distance) C4'-P energy: -37.935
bonds (distance) P-C4' energy: -39.220
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -42.945
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: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -402.982603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.982603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.982603 (E_RNA)
where:
Base-Base interactions energy: -242.062
where: short stacking energy: -134.777
Base-Backbone interact. energy: 0.461
local terms energy: -161.381831
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -367.398444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.398444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.398444 (E_RNA)
where:
Base-Base interactions energy: -202.265
where: short stacking energy: -96.355
Base-Backbone interact. energy: 1.652
local terms energy: -166.785692
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -42.703
flat angles C4'-P-C4' energy: -39.931
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -321.624115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.624115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.624115 (E_RNA)
where:
Base-Base interactions energy: -188.180
where: short stacking energy: -96.987
Base-Backbone interact. energy: -0.528
local terms energy: -132.916618
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -11.833
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: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -181.798612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.798612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.798612 (E_RNA)
where:
Base-Base interactions energy: -59.839
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.362
local terms energy: -121.597846
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -36.561
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: 4.843
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: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -706.230626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.230626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.230626 (E_RNA)
where:
Base-Base interactions energy: -482.767
where: short stacking energy: -226.567
Base-Backbone interact. energy: -0.077
local terms energy: -223.386809
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -45.956
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -68.448
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: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -713.096847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.096847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.096847 (E_RNA)
where:
Base-Base interactions energy: -485.729
where: short stacking energy: -212.275
Base-Backbone interact. energy: 0.228
local terms energy: -227.595015
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: -66.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -653.549216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.549216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.549216 (E_RNA)
where:
Base-Base interactions energy: -430.110
where: short stacking energy: -199.930
Base-Backbone interact. energy: -1.520
local terms energy: -221.919413
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -579.659440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.659440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.659440 (E_RNA)
where:
Base-Base interactions energy: -400.078
where: short stacking energy: -167.848
Base-Backbone interact. energy: -0.677
local terms energy: -178.905145
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -37.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -524.752525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.752525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.752525 (E_RNA)
where:
Base-Base interactions energy: -332.343
where: short stacking energy: -149.022
Base-Backbone interact. energy: -0.711
local terms energy: -191.697887
where:
bonds (distance) C4'-P energy: -38.783
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -45.386
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -42.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -487.259808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.259808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.259808 (E_RNA)
where:
Base-Base interactions energy: -309.026
where: short stacking energy: -125.506
Base-Backbone interact. energy: -0.770
local terms energy: -177.463312
where:
bonds (distance) C4'-P energy: -37.261
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -32.086
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: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -396.369607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.369607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.369607 (E_RNA)
where:
Base-Base interactions energy: -228.926
where: short stacking energy: -103.707
Base-Backbone interact. energy: 1.636
local terms energy: -169.079600
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -39.003
flat angles C4'-P-C4' energy: -46.899
flat angles P-C4'-P energy: -33.914
tors. eta vs tors. theta energy: -9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -354.399361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.399361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.399361 (E_RNA)
where:
Base-Base interactions energy: -204.285
where: short stacking energy: -101.235
Base-Backbone interact. energy: -0.353
local terms energy: -149.761347
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -321.331057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.331057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.331057 (E_RNA)
where:
Base-Base interactions energy: -187.925
where: short stacking energy: -88.110
Base-Backbone interact. energy: -1.670
local terms energy: -131.736560
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -32.304
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -1.667
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: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -191.559371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.559371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.559371 (E_RNA)
where:
Base-Base interactions energy: -62.089
where: short stacking energy: -62.089
Base-Backbone interact. energy: 0.192
local terms energy: -129.663137
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -700.496740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.496740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.496740 (E_RNA)
where:
Base-Base interactions energy: -462.617
where: short stacking energy: -209.269
Base-Backbone interact. energy: -0.320
local terms energy: -237.560344
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -50.980
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -68.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -693.992097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.992097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.992097 (E_RNA)
where:
Base-Base interactions energy: -476.033
where: short stacking energy: -230.289
Base-Backbone interact. energy: -0.464
local terms energy: -217.495145
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -47.886
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -67.878
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: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -707.326642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.326642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.326642 (E_RNA)
where:
Base-Base interactions energy: -484.689
where: short stacking energy: -206.469
Base-Backbone interact. energy: 0.493
local terms energy: -223.130407
where:
bonds (distance) C4'-P energy: -44.860
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -593.035551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.035551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.035551 (E_RNA)
where:
Base-Base interactions energy: -414.428
where: short stacking energy: -161.484
Base-Backbone interact. energy: -0.717
local terms energy: -177.890498
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -46.500
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -40.081
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: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -537.741635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.741635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.741635 (E_RNA)
where:
Base-Base interactions energy: -355.830
where: short stacking energy: -155.357
Base-Backbone interact. energy: -0.609
local terms energy: -181.302969
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -46.463
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: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -478.320899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.320899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.320899 (E_RNA)
where:
Base-Base interactions energy: -303.448
where: short stacking energy: -140.119
Base-Backbone interact. energy: 0.163
local terms energy: -175.035977
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -38.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -405.072023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.072023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.072023 (E_RNA)
where:
Base-Base interactions energy: -236.747
where: short stacking energy: -98.204
Base-Backbone interact. energy: -0.618
local terms energy: -167.707601
where:
bonds (distance) C4'-P energy: -43.719
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -360.203477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.203477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.203477 (E_RNA)
where:
Base-Base interactions energy: -192.040
where: short stacking energy: -111.573
Base-Backbone interact. energy: -0.789
local terms energy: -167.374559
where:
bonds (distance) C4'-P energy: -41.634
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -39.425
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -28.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -345.930952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.930952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.930952 (E_RNA)
where:
Base-Base interactions energy: -191.440
where: short stacking energy: -97.436
Base-Backbone interact. energy: 1.262
local terms energy: -155.752684
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -45.703
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -20.666
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: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -218.872417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.872417 (E_RNA)
where:
Base-Base interactions energy: -89.693
where: short stacking energy: -67.316
Base-Backbone interact. energy: -1.113
local terms energy: -128.066302
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -25.779
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -700.296338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.296338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.296338 (E_RNA)
where:
Base-Base interactions energy: -461.234
where: short stacking energy: -218.327
Base-Backbone interact. energy: -0.718
local terms energy: -238.343783
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -46.452
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -73.501
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -690.513900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.513900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.513900 (E_RNA)
where:
Base-Base interactions energy: -463.375
where: short stacking energy: -216.563
Base-Backbone interact. energy: -0.877
local terms energy: -226.262541
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -47.686
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -68.947
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: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -702.527789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.527789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.527789 (E_RNA)
where:
Base-Base interactions energy: -480.002
where: short stacking energy: -204.339
Base-Backbone interact. energy: -0.909
local terms energy: -221.616662
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -66.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -603.597380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.597380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.597380 (E_RNA)
where:
Base-Base interactions energy: -398.803
where: short stacking energy: -159.090
Base-Backbone interact. energy: -0.003
local terms energy: -204.790793
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -47.462
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -34.375
tors. eta vs tors. theta energy: -43.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -527.761620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.761620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.761620 (E_RNA)
where:
Base-Base interactions energy: -341.947
where: short stacking energy: -154.317
Base-Backbone interact. energy: -0.083
local terms energy: -185.731643
where:
bonds (distance) C4'-P energy: -39.373
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -44.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -465.551678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.551678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.551678 (E_RNA)
where:
Base-Base interactions energy: -289.303
where: short stacking energy: -124.055
Base-Backbone interact. energy: -1.111
local terms energy: -175.137765
where:
bonds (distance) C4'-P energy: -37.740
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -26.415
tors. eta vs tors. theta energy: -31.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -411.483187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.483187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.483187 (E_RNA)
where:
Base-Base interactions energy: -248.464
where: short stacking energy: -115.866
Base-Backbone interact. energy: -0.971
local terms energy: -162.047683
where:
bonds (distance) C4'-P energy: -46.371
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -20.951
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: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -404.166393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.166393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.166393 (E_RNA)
where:
Base-Base interactions energy: -252.663
where: short stacking energy: -105.970
Base-Backbone interact. energy: 6.271
local terms energy: -157.774572
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -42.645
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -28.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -338.000767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.000767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.000767 (E_RNA)
where:
Base-Base interactions energy: -191.753
where: short stacking energy: -93.184
Base-Backbone interact. energy: -1.078
local terms energy: -145.169130
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -19.957
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: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -180.366610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.366610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.366610 (E_RNA)
where:
Base-Base interactions energy: -48.540
where: short stacking energy: -33.859
Base-Backbone interact. energy: -0.354
local terms energy: -131.472821
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: 5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -702.581756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.581756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.581756 (E_RNA)
where:
Base-Base interactions energy: -453.717
where: short stacking energy: -207.831
Base-Backbone interact. energy: -1.384
local terms energy: -247.480097
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -51.542
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -69.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -718.017681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.017681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.017681 (E_RNA)
where:
Base-Base interactions energy: -489.531
where: short stacking energy: -224.336
Base-Backbone interact. energy: -0.722
local terms energy: -227.764512
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -42.484
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -66.774
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: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -664.046971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.046971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.046971 (E_RNA)
where:
Base-Base interactions energy: -448.688
where: short stacking energy: -197.125
Base-Backbone interact. energy: 0.235
local terms energy: -215.593755
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -43.982
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -60.919
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -609.812447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.812447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.812447 (E_RNA)
where:
Base-Base interactions energy: -415.997
where: short stacking energy: -176.699
Base-Backbone interact. energy: -1.748
local terms energy: -192.067099
where:
bonds (distance) C4'-P energy: -30.678
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -39.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -527.880763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.880763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.880763 (E_RNA)
where:
Base-Base interactions energy: -344.291
where: short stacking energy: -163.079
Base-Backbone interact. energy: 2.800
local terms energy: -186.390187
where:
bonds (distance) C4'-P energy: -39.496
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -52.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -478.917279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.917279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.917279 (E_RNA)
where:
Base-Base interactions energy: -303.768
where: short stacking energy: -134.736
Base-Backbone interact. energy: 0.690
local terms energy: -175.839436
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -29.225
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: 493
Temperature: 1.200000
Total energy: -398.952378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.952378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.952378 (E_RNA)
where:
Base-Base interactions energy: -252.128
where: short stacking energy: -112.776
Base-Backbone interact. energy: 0.747
local terms energy: -147.571565
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -391.503101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.503101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.503101 (E_RNA)
where:
Base-Base interactions energy: -225.793
where: short stacking energy: -108.251
Base-Backbone interact. energy: -0.501
local terms energy: -165.209221
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -325.630037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.630037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.630037 (E_RNA)
where:
Base-Base interactions energy: -171.825
where: short stacking energy: -79.520
Base-Backbone interact. energy: -1.092
local terms energy: -152.713295
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -184.501105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.501105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.501105 (E_RNA)
where:
Base-Base interactions energy: -70.033
where: short stacking energy: -56.106
Base-Backbone interact. energy: 1.912
local terms energy: -116.380001
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: 1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -741.027761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.027761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.027761 (E_RNA)
where:
Base-Base interactions energy: -505.949
where: short stacking energy: -226.350
Base-Backbone interact. energy: -0.234
local terms energy: -234.845361
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -49.204
flat angles P-C4'-P energy: -32.498
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: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -706.971704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.971704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.971704 (E_RNA)
where:
Base-Base interactions energy: -474.419
where: short stacking energy: -228.876
Base-Backbone interact. energy: -0.166
local terms energy: -232.386967
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -39.829
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -71.365
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: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -676.420243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.420243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.420243 (E_RNA)
where:
Base-Base interactions energy: -456.985
where: short stacking energy: -194.191
Base-Backbone interact. energy: 0.007
local terms energy: -219.441662
where:
bonds (distance) C4'-P energy: -44.496
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -55.423
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: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -611.546295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.546295 (E_RNA)
where:
Base-Base interactions energy: -400.525
where: short stacking energy: -162.244
Base-Backbone interact. energy: 0.014
local terms energy: -211.035709
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -48.588
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: 494
Temperature: 1.100000
Total energy: -574.987420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.987420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.987420 (E_RNA)
where:
Base-Base interactions energy: -385.789
where: short stacking energy: -170.386
Base-Backbone interact. energy: -2.119
local terms energy: -187.078668
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -45.444
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: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -472.050074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.050074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.050074 (E_RNA)
where:
Base-Base interactions energy: -300.567
where: short stacking energy: -134.666
Base-Backbone interact. energy: -0.280
local terms energy: -171.203143
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -42.952
flat angles P-C4'-P energy: -27.418
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: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -444.201646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.201646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.201646 (E_RNA)
where:
Base-Base interactions energy: -272.951
where: short stacking energy: -136.045
Base-Backbone interact. energy: -1.566
local terms energy: -169.685375
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -29.191
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: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -352.786458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.786458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.786458 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -80.961
Base-Backbone interact. energy: -1.448
local terms energy: -152.502510
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -350.711924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.711924 (E_RNA)
where:
Base-Base interactions energy: -214.549
where: short stacking energy: -109.637
Base-Backbone interact. energy: -0.258
local terms energy: -135.904612
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -202.371943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371943 (E_RNA)
where:
Base-Base interactions energy: -90.676
where: short stacking energy: -53.095
Base-Backbone interact. energy: 0.788
local terms energy: -112.483725
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -726.880882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.880882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.880882 (E_RNA)
where:
Base-Base interactions energy: -493.678
where: short stacking energy: -227.178
Base-Backbone interact. energy: -1.075
local terms energy: -232.127868
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -45.732
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -69.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -700.906903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.906903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.906903 (E_RNA)
where:
Base-Base interactions energy: -469.110
where: short stacking energy: -217.125
Base-Backbone interact. energy: -0.481
local terms energy: -231.316216
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -55.233
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -67.676
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: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -669.307804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.307804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.307804 (E_RNA)
where:
Base-Base interactions energy: -460.153
where: short stacking energy: -206.456
Base-Backbone interact. energy: -0.389
local terms energy: -208.765473
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -60.837
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: 495
Temperature: 1.050000
Total energy: -609.377635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.377635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.377635 (E_RNA)
where:
Base-Base interactions energy: -416.252
where: short stacking energy: -171.918
Base-Backbone interact. energy: 2.144
local terms energy: -195.268872
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -42.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -584.200889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.200889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.200889 (E_RNA)
where:
Base-Base interactions energy: -388.615
where: short stacking energy: -174.923
Base-Backbone interact. energy: 0.649
local terms energy: -196.234264
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -56.645
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -461.212102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.212102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.212102 (E_RNA)
where:
Base-Base interactions energy: -303.731
where: short stacking energy: -122.162
Base-Backbone interact. energy: 0.573
local terms energy: -158.054447
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -446.102132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.102132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.102132 (E_RNA)
where:
Base-Base interactions energy: -275.020
where: short stacking energy: -133.437
Base-Backbone interact. energy: -1.124
local terms energy: -169.958441
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -43.135
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -23.937
tors. eta vs tors. theta energy: -33.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -355.716644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.716644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.716644 (E_RNA)
where:
Base-Base interactions energy: -201.191
where: short stacking energy: -104.484
Base-Backbone interact. energy: -1.983
local terms energy: -152.542722
where:
bonds (distance) C4'-P energy: -35.574
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -323.392922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.392922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.392922 (E_RNA)
where:
Base-Base interactions energy: -175.040
where: short stacking energy: -84.719
Base-Backbone interact. energy: -1.013
local terms energy: -147.340040
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -183.245017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.245017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.245017 (E_RNA)
where:
Base-Base interactions energy: -63.159
where: short stacking energy: -51.148
Base-Backbone interact. energy: -1.005
local terms energy: -119.081127
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -42.221
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -747.028646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.028646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.028646 (E_RNA)
where:
Base-Base interactions energy: -510.219
where: short stacking energy: -230.552
Base-Backbone interact. energy: -0.234
local terms energy: -236.575847
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -684.433229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.433229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.433229 (E_RNA)
where:
Base-Base interactions energy: -457.668
where: short stacking energy: -199.385
Base-Backbone interact. energy: -0.735
local terms energy: -226.030314
where:
bonds (distance) C4'-P energy: -42.808
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -45.066
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -65.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -658.751768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.751768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.751768 (E_RNA)
where:
Base-Base interactions energy: -425.965
where: short stacking energy: -202.437
Base-Backbone interact. energy: -1.094
local terms energy: -231.692421
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -51.007
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -67.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -584.186993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.186993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.186993 (E_RNA)
where:
Base-Base interactions energy: -396.015
where: short stacking energy: -157.042
Base-Backbone interact. energy: 2.139
local terms energy: -190.310504
where:
bonds (distance) C4'-P energy: -36.543
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: -37.302
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: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -568.891393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.891393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.891393 (E_RNA)
where:
Base-Base interactions energy: -377.347
where: short stacking energy: -165.192
Base-Backbone interact. energy: 0.255
local terms energy: -191.800296
where:
bonds (distance) C4'-P energy: -37.235
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -452.206920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.206920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.206920 (E_RNA)
where:
Base-Base interactions energy: -280.227
where: short stacking energy: -119.802
Base-Backbone interact. energy: -0.882
local terms energy: -171.097851
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -40.318
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -32.297
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -430.071964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.071964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.071964 (E_RNA)
where:
Base-Base interactions energy: -262.741
where: short stacking energy: -141.249
Base-Backbone interact. energy: 0.791
local terms energy: -168.122469
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -42.625
flat angles P-C4'-P energy: -28.378
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: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -358.187650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.187650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.187650 (E_RNA)
where:
Base-Base interactions energy: -197.408
where: short stacking energy: -89.237
Base-Backbone interact. energy: 0.919
local terms energy: -161.698600
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -38.908
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -337.710895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.710895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.710895 (E_RNA)
where:
Base-Base interactions energy: -186.459
where: short stacking energy: -95.185
Base-Backbone interact. energy: -0.345
local terms energy: -150.906173
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -196.001698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.001698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001698 (E_RNA)
where:
Base-Base interactions energy: -74.058
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.189
local terms energy: -121.755448
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: 3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -740.882666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.882666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.882666 (E_RNA)
where:
Base-Base interactions energy: -505.376
where: short stacking energy: -233.857
Base-Backbone interact. energy: -0.927
local terms energy: -234.579235
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -69.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -683.920029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.920029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.920029 (E_RNA)
where:
Base-Base interactions energy: -454.901
where: short stacking energy: -200.057
Base-Backbone interact. energy: -0.079
local terms energy: -228.940180
where:
bonds (distance) C4'-P energy: -39.461
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -69.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -650.488248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.488248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.488248 (E_RNA)
where:
Base-Base interactions energy: -433.651
where: short stacking energy: -208.013
Base-Backbone interact. energy: -0.830
local terms energy: -216.007790
where:
bonds (distance) C4'-P energy: -38.777
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -65.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -602.738893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.738893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.738893 (E_RNA)
where:
Base-Base interactions energy: -391.346
where: short stacking energy: -188.201
Base-Backbone interact. energy: -0.933
local terms energy: -210.460007
where:
bonds (distance) C4'-P energy: -37.557
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -57.385
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: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -584.047313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.047313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.047313 (E_RNA)
where:
Base-Base interactions energy: -405.481
where: short stacking energy: -164.980
Base-Backbone interact. energy: -1.719
local terms energy: -176.846896
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -46.553
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -35.422
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: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -461.615617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.615617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.615617 (E_RNA)
where:
Base-Base interactions energy: -294.232
where: short stacking energy: -140.030
Base-Backbone interact. energy: -1.555
local terms energy: -165.828478
where:
bonds (distance) C4'-P energy: -38.707
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -476.384348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.384348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.384348 (E_RNA)
where:
Base-Base interactions energy: -295.312
where: short stacking energy: -125.280
Base-Backbone interact. energy: 0.008
local terms energy: -181.081078
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -42.015
flat angles C4'-P-C4' energy: -44.967
flat angles P-C4'-P energy: -31.750
tors. eta vs tors. theta energy: -21.768
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: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -320.268113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.268113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.268113 (E_RNA)
where:
Base-Base interactions energy: -183.287
where: short stacking energy: -105.463
Base-Backbone interact. energy: 0.508
local terms energy: -137.488352
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -327.389678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389678 (E_RNA)
where:
Base-Base interactions energy: -199.967
where: short stacking energy: -99.327
Base-Backbone interact. energy: -0.785
local terms energy: -126.637367
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -221.868847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.868847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.868847 (E_RNA)
where:
Base-Base interactions energy: -115.929
where: short stacking energy: -69.285
Base-Backbone interact. energy: 1.210
local terms energy: -107.149842
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: 4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -745.990049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.990049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.990049 (E_RNA)
where:
Base-Base interactions energy: -506.095
where: short stacking energy: -214.503
Base-Backbone interact. energy: -0.878
local terms energy: -239.017100
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -41.159
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -72.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -677.728845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.728845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.728845 (E_RNA)
where:
Base-Base interactions energy: -451.123
where: short stacking energy: -201.688
Base-Backbone interact. energy: -0.120
local terms energy: -226.485639
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -47.122
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -60.746
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: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -680.857150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.857150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.857150 (E_RNA)
where:
Base-Base interactions energy: -442.038
where: short stacking energy: -218.223
Base-Backbone interact. energy: 0.284
local terms energy: -239.103099
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -71.646
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: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -624.464146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.464146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.464146 (E_RNA)
where:
Base-Base interactions energy: -405.430
where: short stacking energy: -194.645
Base-Backbone interact. energy: -1.161
local terms energy: -217.873153
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -47.234
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -59.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -546.982731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.982731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.982731 (E_RNA)
where:
Base-Base interactions energy: -373.287
where: short stacking energy: -145.158
Base-Backbone interact. energy: -3.295
local terms energy: -170.400544
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -32.755
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: 498
Temperature: 1.150000
Total energy: -492.432474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.432474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.432474 (E_RNA)
where:
Base-Base interactions energy: -312.521
where: short stacking energy: -156.582
Base-Backbone interact. energy: 1.821
local terms energy: -181.732534
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -37.857
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: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -467.447287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.447287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.447287 (E_RNA)
where:
Base-Base interactions energy: -303.383
where: short stacking energy: -135.514
Base-Backbone interact. energy: -0.700
local terms energy: -163.364000
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -44.541
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -28.096
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: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -354.038157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.038157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.038157 (E_RNA)
where:
Base-Base interactions energy: -202.933
where: short stacking energy: -100.498
Base-Backbone interact. energy: 3.952
local terms energy: -155.057206
where:
bonds (distance) C4'-P energy: -37.615
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -44.750
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -329.722941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.722941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.722941 (E_RNA)
where:
Base-Base interactions energy: -186.542
where: short stacking energy: -91.928
Base-Backbone interact. energy: -1.307
local terms energy: -141.873623
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -292.581452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.581452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.581452 (E_RNA)
where:
Base-Base interactions energy: -161.290
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.853
local terms energy: -130.438839
where:
bonds (distance) C4'-P energy: -32.934
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -40.991
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -743.509279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.509279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.509279 (E_RNA)
where:
Base-Base interactions energy: -503.129
where: short stacking energy: -234.597
Base-Backbone interact. energy: -0.974
local terms energy: -239.406192
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -52.144
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -72.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -674.488013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.488013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.488013 (E_RNA)
where:
Base-Base interactions energy: -456.926
where: short stacking energy: -210.385
Base-Backbone interact. energy: 0.218
local terms energy: -217.780044
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -45.580
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -64.705
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: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -674.856162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.856162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.856162 (E_RNA)
where:
Base-Base interactions energy: -435.182
where: short stacking energy: -212.769
Base-Backbone interact. energy: -0.355
local terms energy: -239.319345
where:
bonds (distance) C4'-P energy: -42.988
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -51.088
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -67.766
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: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -597.565672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.565672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.565672 (E_RNA)
where:
Base-Base interactions energy: -379.892
where: short stacking energy: -195.268
Base-Backbone interact. energy: -0.090
local terms energy: -217.583538
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -43.093
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -62.349
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: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -560.206600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.206600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.206600 (E_RNA)
where:
Base-Base interactions energy: -397.190
where: short stacking energy: -157.274
Base-Backbone interact. energy: -0.178
local terms energy: -162.838308
where:
bonds (distance) C4'-P energy: -37.487
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -36.082
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: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -530.767514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.767514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.767514 (E_RNA)
where:
Base-Base interactions energy: -356.439
where: short stacking energy: -158.840
Base-Backbone interact. energy: 3.284
local terms energy: -177.612656
where:
bonds (distance) C4'-P energy: -40.438
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -42.062
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -41.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -475.486267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.486267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.486267 (E_RNA)
where:
Base-Base interactions energy: -302.947
where: short stacking energy: -136.137
Base-Backbone interact. energy: -0.256
local terms energy: -172.283942
where:
bonds (distance) C4'-P energy: -35.213
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -32.893
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: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -361.809821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.809821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.809821 (E_RNA)
where:
Base-Base interactions energy: -206.892
where: short stacking energy: -103.496
Base-Backbone interact. energy: -1.402
local terms energy: -153.515497
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -24.615
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: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -334.438872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.438872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.438872 (E_RNA)
where:
Base-Base interactions energy: -192.322
where: short stacking energy: -95.223
Base-Backbone interact. energy: -0.879
local terms energy: -141.238390
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -248.446520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.446520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.446520 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.400
local terms energy: -131.624506
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -726.185281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.185281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.185281 (E_RNA)
where:
Base-Base interactions energy: -494.224
where: short stacking energy: -222.341
Base-Backbone interact. energy: -1.175
local terms energy: -230.785421
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -42.996
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -66.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -683.323026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.323026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.323026 (E_RNA)
where:
Base-Base interactions energy: -455.879
where: short stacking energy: -208.466
Base-Backbone interact. energy: -0.473
local terms energy: -226.970917
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -60.117
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: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -698.691665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.691665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.691665 (E_RNA)
where:
Base-Base interactions energy: -460.787
where: short stacking energy: -210.807
Base-Backbone interact. energy: -0.096
local terms energy: -237.809012
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -45.991
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -68.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -580.237134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.237134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.237134 (E_RNA)
where:
Base-Base interactions energy: -371.392
where: short stacking energy: -162.001
Base-Backbone interact. energy: -0.987
local terms energy: -207.858598
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -542.672915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.672915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.672915 (E_RNA)
where:
Base-Base interactions energy: -366.165
where: short stacking energy: -147.776
Base-Backbone interact. energy: -1.084
local terms energy: -175.423781
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -45.093
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -31.154
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: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -493.106786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.106786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.106786 (E_RNA)
where:
Base-Base interactions energy: -321.266
where: short stacking energy: -149.879
Base-Backbone interact. energy: 1.935
local terms energy: -173.775211
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -47.192
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -464.784945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.784945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.784945 (E_RNA)
where:
Base-Base interactions energy: -293.465
where: short stacking energy: -143.432
Base-Backbone interact. energy: 1.019
local terms energy: -172.339745
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -37.116
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -31.038
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: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -353.603411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.603411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.603411 (E_RNA)
where:
Base-Base interactions energy: -190.193
where: short stacking energy: -99.668
Base-Backbone interact. energy: 2.144
local terms energy: -165.554900
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -24.545
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: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -334.498084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.498084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.498084 (E_RNA)
where:
Base-Base interactions energy: -207.825
where: short stacking energy: -85.652
Base-Backbone interact. energy: -0.017
local terms energy: -126.656229
where:
bonds (distance) C4'-P energy: -41.447
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -6.182
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: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -225.045950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.045950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.045950 (E_RNA)
where:
Base-Base interactions energy: -109.940
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.064
local terms energy: -115.042130
where:
bonds (distance) C4'-P energy: -39.108
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: 8.283
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)
out arg RESULTS//1/RydC_test-a58b6dac_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -739.732891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.732891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.732891 (E_RNA)
where:
Base-Base interactions energy: -496.347
where: short stacking energy: -228.081
Base-Backbone interact. energy: -0.698
local terms energy: -242.688320
where:
bonds (distance) C4'-P energy: -42.721
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -70.923
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: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -674.860177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.860177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.860177 (E_RNA)
where:
Base-Base interactions energy: -445.162
where: short stacking energy: -201.939
Base-Backbone interact. energy: -0.487
local terms energy: -229.210732
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -40.623
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -66.009
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: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -677.799827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.799827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.799827 (E_RNA)
where:
Base-Base interactions energy: -456.849
where: short stacking energy: -207.475
Base-Backbone interact. energy: -0.466
local terms energy: -220.485372
where:
bonds (distance) C4'-P energy: -42.383
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -68.206
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: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -590.623200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.623200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.623200 (E_RNA)
where:
Base-Base interactions energy: -404.568
where: short stacking energy: -159.034
Base-Backbone interact. energy: 1.762
local terms energy: -187.817556
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -45.117
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -36.884
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: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -550.123875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.123875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.123875 (E_RNA)
where:
Base-Base interactions energy: -374.458
where: short stacking energy: -168.288
Base-Backbone interact. energy: -0.299
local terms energy: -175.367051
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -43.340
flat angles P-C4'-P energy: -27.370
tors. eta vs tors. theta energy: -41.617
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: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -512.421599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.421599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.421599 (E_RNA)
where:
Base-Base interactions energy: -333.914
where: short stacking energy: -156.940
Base-Backbone interact. energy: -0.186
local terms energy: -178.321506
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -30.889
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: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -460.599593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.599593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.599593 (E_RNA)
where:
Base-Base interactions energy: -281.940
where: short stacking energy: -124.565
Base-Backbone interact. energy: -0.314
local terms energy: -178.345111
where:
bonds (distance) C4'-P energy: -42.285
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -30.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -352.714663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.714663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.714663 (E_RNA)
where:
Base-Base interactions energy: -196.109
where: short stacking energy: -100.102
Base-Backbone interact. energy: -0.108
local terms energy: -156.497486
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -314.241786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.241786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.241786 (E_RNA)
where:
Base-Base interactions energy: -204.960
where: short stacking energy: -99.784
Base-Backbone interact. energy: -0.578
local terms energy: -108.704289
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -258.136736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.136736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.136736 (E_RNA)
where:
Base-Base interactions energy: -124.802
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.774
local terms energy: -132.560311
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -2.258
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 38197808
moves confirmed later: 43118296
all moves confirmed: 81316104
percent of confirmed moves: 10.164513
current total energy: -701.259850
recalc. total energy: -701.259850
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 32889361
moves confirmed later: 36127747
all moves confirmed: 69017108
percent of confirmed moves: 8.627138
current total energy: -612.853603
recalc. total energy: -612.853603
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 33244440
moves confirmed later: 36548023
all moves confirmed: 69792463
percent of confirmed moves: 8.724058
current total energy: -623.563911
recalc. total energy: -623.563911
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 50691187
moves confirmed later: 59709456
all moves confirmed: 110400643
percent of confirmed moves: 13.800080
current total energy: -498.395405
recalc. total energy: -498.395405
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 41788285
moves confirmed later: 47833561
all moves confirmed: 89621846
percent of confirmed moves: 11.202731
current total energy: -494.121078
recalc. total energy: -494.121078
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 61697065
moves confirmed later: 74246744
all moves confirmed: 135943809
percent of confirmed moves: 16.992976
current total energy: -368.683198
recalc. total energy: -368.683198
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 65304820
moves confirmed later: 79068315
all moves confirmed: 144373135
percent of confirmed moves: 18.046642
current total energy: -357.569362
recalc. total energy: -357.569362
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 60224584
moves confirmed later: 72156432
all moves confirmed: 132381016
percent of confirmed moves: 16.547627
current total energy: -335.488943
recalc. total energy: -335.488943
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 66055160
moves confirmed later: 80063044
all moves confirmed: 146118204
percent of confirmed moves: 18.264775
current total energy: -243.100442
recalc. total energy: -243.100442
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 48038007
moves confirmed later: 56025789
all moves confirmed: 104063796
percent of confirmed moves: 13.007974
current total energy: -186.809397
recalc. total energy: -186.809397
Time of doing 8000000 iterations: 10732.184 seconds