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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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_and_cfa_1741227-0e4facc7/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741227-0e4facc7/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: UGUUUUUACGGGGACAGGAUCGUUCCCGACUCACUAUGGAUAGUCAUUUCGGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUUUUAAGGUUCUGAUCACCGACCAGUGAUGGAGAAACUAUGAGUUCAUCGUG
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
chain B contains 199 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 264.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1063.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781107 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.000
local terms energy: -1027.853724
where:
bonds (distance) C4'-P energy: -256.497
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -193.835
flat angles P-C4'-P energy: -221.727
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1237.883831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.883831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.883831 (E_RNA)
where:
Base-Base interactions energy: -512.759
where: short stacking energy: -507.287
Base-Backbone interact. energy: -0.051
local terms energy: -725.074162
where:
bonds (distance) C4'-P energy: -171.531
bonds (distance) P-C4' energy: -171.468
flat angles C4'-P-C4' energy: -169.755
flat angles P-C4'-P energy: -88.851
tors. eta vs tors. theta energy: -123.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1178.320427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.320427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.320427 (E_RNA)
where:
Base-Base interactions energy: -454.766
where: short stacking energy: -452.266
Base-Backbone interact. energy: -0.307
local terms energy: -723.248163
where:
bonds (distance) C4'-P energy: -163.717
bonds (distance) P-C4' energy: -177.169
flat angles C4'-P-C4' energy: -159.600
flat angles P-C4'-P energy: -102.196
tors. eta vs tors. theta energy: -120.567
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1105.011934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.011934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.011934 (E_RNA)
where:
Base-Base interactions energy: -317.957
where: short stacking energy: -317.957
Base-Backbone interact. energy: -0.001
local terms energy: -787.053738
where:
bonds (distance) C4'-P energy: -153.904
bonds (distance) P-C4' energy: -160.038
flat angles C4'-P-C4' energy: -179.834
flat angles P-C4'-P energy: -161.834
tors. eta vs tors. theta energy: -131.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1074.186687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.186687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.186687 (E_RNA)
where:
Base-Base interactions energy: -70.531
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.000
local terms energy: -1003.655378
where:
bonds (distance) C4'-P energy: -240.420
bonds (distance) P-C4' energy: -223.792
flat angles C4'-P-C4' energy: -195.732
flat angles P-C4'-P energy: -217.029
tors. eta vs tors. theta energy: -126.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1067.027831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.027831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.027831 (E_RNA)
where:
Base-Base interactions energy: -70.113
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.000
local terms energy: -996.914778
where:
bonds (distance) C4'-P energy: -237.480
bonds (distance) P-C4' energy: -221.084
flat angles C4'-P-C4' energy: -196.005
flat angles P-C4'-P energy: -216.718
tors. eta vs tors. theta energy: -125.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1065.213361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.213361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.213361 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -45.059
Base-Backbone interact. energy: -0.000
local terms energy: -1020.154256
where:
bonds (distance) C4'-P energy: -252.265
bonds (distance) P-C4' energy: -234.483
flat angles C4'-P-C4' energy: -193.011
flat angles P-C4'-P energy: -220.481
tors. eta vs tors. theta energy: -119.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1063.368491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.368491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.368491 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.000
local terms energy: -1027.262656
where:
bonds (distance) C4'-P energy: -256.381
bonds (distance) P-C4' energy: -237.971
flat angles C4'-P-C4' energy: -193.250
flat angles P-C4'-P energy: -221.690
tors. eta vs tors. theta energy: -117.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1063.368514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.368514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.368514 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.000
local terms energy: -1027.262656
where:
bonds (distance) C4'-P energy: -256.381
bonds (distance) P-C4' energy: -237.971
flat angles C4'-P-C4' energy: -193.250
flat angles P-C4'-P energy: -221.690
tors. eta vs tors. theta energy: -117.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1063.368535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.368535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.368535 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.000
local terms energy: -1027.262656
where:
bonds (distance) C4'-P energy: -256.381
bonds (distance) P-C4' energy: -237.971
flat angles C4'-P-C4' energy: -193.250
flat angles P-C4'-P energy: -221.690
tors. eta vs tors. theta energy: -117.971
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1061.720441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.720441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.720441 (E_RNA)
where:
Base-Base interactions energy: -36.660
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.000
local terms energy: -1025.060716
where:
bonds (distance) C4'-P energy: -256.025
bonds (distance) P-C4' energy: -235.952
flat angles C4'-P-C4' energy: -193.905
flat angles P-C4'-P energy: -221.215
tors. eta vs tors. theta energy: -117.963
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1279.010815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.010815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.010815 (E_RNA)
where:
Base-Base interactions energy: -560.741
where: short stacking energy: -553.515
Base-Backbone interact. energy: -0.620
local terms energy: -717.649396
where:
bonds (distance) C4'-P energy: -145.168
bonds (distance) P-C4' energy: -155.227
flat angles C4'-P-C4' energy: -178.805
flat angles P-C4'-P energy: -101.720
tors. eta vs tors. theta energy: -136.729
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1199.087615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.087615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.087615 (E_RNA)
where:
Base-Base interactions energy: -453.960
where: short stacking energy: -453.960
Base-Backbone interact. energy: 0.587
local terms energy: -745.714795
where:
bonds (distance) C4'-P energy: -169.994
bonds (distance) P-C4' energy: -168.309
flat angles C4'-P-C4' energy: -177.699
flat angles P-C4'-P energy: -107.972
tors. eta vs tors. theta energy: -121.741
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1100.347628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.347628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.347628 (E_RNA)
where:
Base-Base interactions energy: -429.940
where: short stacking energy: -424.149
Base-Backbone interact. energy: 3.640
local terms energy: -674.047516
where:
bonds (distance) C4'-P energy: -152.615
bonds (distance) P-C4' energy: -159.360
flat angles C4'-P-C4' energy: -160.979
flat angles P-C4'-P energy: -105.926
tors. eta vs tors. theta energy: -95.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1019.788275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.788275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.788275 (E_RNA)
where:
Base-Base interactions energy: -386.836
where: short stacking energy: -384.644
Base-Backbone interact. energy: -0.269
local terms energy: -632.683723
where:
bonds (distance) C4'-P energy: -158.670
bonds (distance) P-C4' energy: -154.897
flat angles C4'-P-C4' energy: -148.557
flat angles P-C4'-P energy: -91.411
tors. eta vs tors. theta energy: -79.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -940.031855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.031855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.031855 (E_RNA)
where:
Base-Base interactions energy: -355.236
where: short stacking energy: -341.716
Base-Backbone interact. energy: 0.134
local terms energy: -584.929472
where:
bonds (distance) C4'-P energy: -145.823
bonds (distance) P-C4' energy: -144.685
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -88.482
tors. eta vs tors. theta energy: -63.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -853.325296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.325296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.325296 (E_RNA)
where:
Base-Base interactions energy: -336.180
where: short stacking energy: -313.670
Base-Backbone interact. energy: 3.911
local terms energy: -521.055970
where:
bonds (distance) C4'-P energy: -131.516
bonds (distance) P-C4' energy: -133.885
flat angles C4'-P-C4' energy: -134.014
flat angles P-C4'-P energy: -69.980
tors. eta vs tors. theta energy: -51.661
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -794.770560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.770560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.770560 (E_RNA)
where:
Base-Base interactions energy: -261.343
where: short stacking energy: -235.154
Base-Backbone interact. energy: 1.205
local terms energy: -534.632838
where:
bonds (distance) C4'-P energy: -144.554
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -141.989
flat angles P-C4'-P energy: -72.879
tors. eta vs tors. theta energy: -30.943
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: 3
Temperature: 1.250000
Total energy: -715.713370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.713370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.713370 (E_RNA)
where:
Base-Base interactions energy: -252.288
where: short stacking energy: -226.192
Base-Backbone interact. energy: 9.173
local terms energy: -472.598381
where:
bonds (distance) C4'-P energy: -133.368
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -11.106
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -671.129602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.129602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.129602 (E_RNA)
where:
Base-Base interactions energy: -225.079
where: short stacking energy: -209.468
Base-Backbone interact. energy: 0.514
local terms energy: -446.565370
where:
bonds (distance) C4'-P energy: -133.413
bonds (distance) P-C4' energy: -146.624
flat angles C4'-P-C4' energy: -123.969
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: 7.327
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -617.554300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.554300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.554300 (E_RNA)
where:
Base-Base interactions energy: -218.629
where: short stacking energy: -206.963
Base-Backbone interact. energy: 4.506
local terms energy: -403.431992
where:
bonds (distance) C4'-P energy: -105.767
bonds (distance) P-C4' energy: -143.758
flat angles C4'-P-C4' energy: -109.473
flat angles P-C4'-P energy: -70.721
tors. eta vs tors. theta energy: 26.287
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1281.306535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.306535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.306535 (E_RNA)
where:
Base-Base interactions energy: -537.218
where: short stacking energy: -533.615
Base-Backbone interact. energy: 0.406
local terms energy: -744.494356
where:
bonds (distance) C4'-P energy: -168.847
bonds (distance) P-C4' energy: -174.465
flat angles C4'-P-C4' energy: -165.961
flat angles P-C4'-P energy: -101.576
tors. eta vs tors. theta energy: -133.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1235.204346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.204346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.204346 (E_RNA)
where:
Base-Base interactions energy: -526.579
where: short stacking energy: -514.955
Base-Backbone interact. energy: -0.691
local terms energy: -707.934314
where:
bonds (distance) C4'-P energy: -162.586
bonds (distance) P-C4' energy: -167.586
flat angles C4'-P-C4' energy: -154.447
flat angles P-C4'-P energy: -112.351
tors. eta vs tors. theta energy: -110.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1151.889427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.889427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.889427 (E_RNA)
where:
Base-Base interactions energy: -490.872
where: short stacking energy: -456.585
Base-Backbone interact. energy: -0.578
local terms energy: -660.439516
where:
bonds (distance) C4'-P energy: -149.330
bonds (distance) P-C4' energy: -160.915
flat angles C4'-P-C4' energy: -145.190
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -108.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -999.098194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.098194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.098194 (E_RNA)
where:
Base-Base interactions energy: -386.308
where: short stacking energy: -379.495
Base-Backbone interact. energy: -2.021
local terms energy: -610.769664
where:
bonds (distance) C4'-P energy: -155.164
bonds (distance) P-C4' energy: -149.297
flat angles C4'-P-C4' energy: -154.730
flat angles P-C4'-P energy: -97.927
tors. eta vs tors. theta energy: -53.653
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: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -950.700899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.700899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.700899 (E_RNA)
where:
Base-Base interactions energy: -388.376
where: short stacking energy: -357.390
Base-Backbone interact. energy: -0.793
local terms energy: -561.531508
where:
bonds (distance) C4'-P energy: -140.512
bonds (distance) P-C4' energy: -151.800
flat angles C4'-P-C4' energy: -138.601
flat angles P-C4'-P energy: -90.243
tors. eta vs tors. theta energy: -40.375
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -861.138405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.138405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.138405 (E_RNA)
where:
Base-Base interactions energy: -298.953
where: short stacking energy: -283.446
Base-Backbone interact. energy: 3.654
local terms energy: -565.839376
where:
bonds (distance) C4'-P energy: -156.987
bonds (distance) P-C4' energy: -152.934
flat angles C4'-P-C4' energy: -144.726
flat angles P-C4'-P energy: -78.152
tors. eta vs tors. theta energy: -33.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -804.487450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.487450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.487450 (E_RNA)
where:
Base-Base interactions energy: -294.985
where: short stacking energy: -273.858
Base-Backbone interact. energy: -3.283
local terms energy: -506.219629
where:
bonds (distance) C4'-P energy: -151.157
bonds (distance) P-C4' energy: -142.599
flat angles C4'-P-C4' energy: -124.430
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -725.951721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.951721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.951721 (E_RNA)
where:
Base-Base interactions energy: -256.018
where: short stacking energy: -249.035
Base-Backbone interact. energy: 0.857
local terms energy: -470.790710
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -157.516
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -69.840
tors. eta vs tors. theta energy: -20.828
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: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -636.464723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.464723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.464723 (E_RNA)
where:
Base-Base interactions energy: -223.739
where: short stacking energy: -205.177
Base-Backbone interact. energy: 3.164
local terms energy: -415.890277
where:
bonds (distance) C4'-P energy: -105.664
bonds (distance) P-C4' energy: -150.169
flat angles C4'-P-C4' energy: -114.655
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: 13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -596.933928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.933928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.933928 (E_RNA)
where:
Base-Base interactions energy: -193.573
where: short stacking energy: -175.214
Base-Backbone interact. energy: 4.000
local terms energy: -407.360527
where:
bonds (distance) C4'-P energy: -154.676
bonds (distance) P-C4' energy: -124.110
flat angles C4'-P-C4' energy: -79.937
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: 20.449
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1321.346361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.346361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.346361 (E_RNA)
where:
Base-Base interactions energy: -575.267
where: short stacking energy: -557.018
Base-Backbone interact. energy: -0.660
local terms energy: -745.420249
where:
bonds (distance) C4'-P energy: -166.870
bonds (distance) P-C4' energy: -170.030
flat angles C4'-P-C4' energy: -164.109
flat angles P-C4'-P energy: -105.400
tors. eta vs tors. theta energy: -139.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1223.193419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.193419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.193419 (E_RNA)
where:
Base-Base interactions energy: -491.350
where: short stacking energy: -456.205
Base-Backbone interact. energy: 0.353
local terms energy: -732.196424
where:
bonds (distance) C4'-P energy: -167.490
bonds (distance) P-C4' energy: -163.710
flat angles C4'-P-C4' energy: -167.120
flat angles P-C4'-P energy: -111.920
tors. eta vs tors. theta energy: -121.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1158.038222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.038222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.038222 (E_RNA)
where:
Base-Base interactions energy: -510.602
where: short stacking energy: -471.692
Base-Backbone interact. energy: 1.408
local terms energy: -648.844348
where:
bonds (distance) C4'-P energy: -139.187
bonds (distance) P-C4' energy: -160.281
flat angles C4'-P-C4' energy: -163.426
flat angles P-C4'-P energy: -86.713
tors. eta vs tors. theta energy: -99.238
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1081.030801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.030801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.030801 (E_RNA)
where:
Base-Base interactions energy: -429.042
where: short stacking energy: -413.503
Base-Backbone interact. energy: 0.241
local terms energy: -652.230221
where:
bonds (distance) C4'-P energy: -134.431
bonds (distance) P-C4' energy: -166.261
flat angles C4'-P-C4' energy: -160.358
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -98.787
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: 5
Temperature: 1.100000
Total energy: -997.772502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.772502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.772502 (E_RNA)
where:
Base-Base interactions energy: -414.197
where: short stacking energy: -334.560
Base-Backbone interact. energy: 0.360
local terms energy: -583.935450
where:
bonds (distance) C4'-P energy: -131.174
bonds (distance) P-C4' energy: -164.896
flat angles C4'-P-C4' energy: -151.089
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -57.892
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -918.217710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.217710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.217710 (E_RNA)
where:
Base-Base interactions energy: -400.969
where: short stacking energy: -344.050
Base-Backbone interact. energy: 0.936
local terms energy: -518.184894
where:
bonds (distance) C4'-P energy: -127.677
bonds (distance) P-C4' energy: -143.527
flat angles C4'-P-C4' energy: -135.240
flat angles P-C4'-P energy: -81.829
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -785.048225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.048225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.048225 (E_RNA)
where:
Base-Base interactions energy: -284.410
where: short stacking energy: -262.573
Base-Backbone interact. energy: -1.538
local terms energy: -499.099986
where:
bonds (distance) C4'-P energy: -143.822
bonds (distance) P-C4' energy: -140.068
flat angles C4'-P-C4' energy: -134.423
flat angles P-C4'-P energy: -58.681
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -711.438191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.438191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.438191 (E_RNA)
where:
Base-Base interactions energy: -262.745
where: short stacking energy: -240.376
Base-Backbone interact. energy: -0.877
local terms energy: -447.816838
where:
bonds (distance) C4'-P energy: -120.250
bonds (distance) P-C4' energy: -137.525
flat angles C4'-P-C4' energy: -112.788
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -654.315486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.315486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.315486 (E_RNA)
where:
Base-Base interactions energy: -231.404
where: short stacking energy: -218.192
Base-Backbone interact. energy: 0.549
local terms energy: -423.460955
where:
bonds (distance) C4'-P energy: -123.169
bonds (distance) P-C4' energy: -134.409
flat angles C4'-P-C4' energy: -103.047
flat angles P-C4'-P energy: -73.458
tors. eta vs tors. theta energy: 10.623
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -590.295994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.295994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.295994 (E_RNA)
where:
Base-Base interactions energy: -181.463
where: short stacking energy: -162.108
Base-Backbone interact. energy: 1.789
local terms energy: -410.622238
where:
bonds (distance) C4'-P energy: -131.902
bonds (distance) P-C4' energy: -129.707
flat angles C4'-P-C4' energy: -113.495
flat angles P-C4'-P energy: -42.048
tors. eta vs tors. theta energy: 6.530
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1322.986977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.986977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.986977 (E_RNA)
where:
Base-Base interactions energy: -581.173
where: short stacking energy: -566.128
Base-Backbone interact. energy: -1.309
local terms energy: -740.504384
where:
bonds (distance) C4'-P energy: -162.618
bonds (distance) P-C4' energy: -166.165
flat angles C4'-P-C4' energy: -162.957
flat angles P-C4'-P energy: -105.439
tors. eta vs tors. theta energy: -143.325
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1232.546626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.546626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.546626 (E_RNA)
where:
Base-Base interactions energy: -551.954
where: short stacking energy: -487.299
Base-Backbone interact. energy: -0.161
local terms energy: -680.431289
where:
bonds (distance) C4'-P energy: -145.949
bonds (distance) P-C4' energy: -153.239
flat angles C4'-P-C4' energy: -160.910
flat angles P-C4'-P energy: -104.605
tors. eta vs tors. theta energy: -115.728
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1220.518772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.518772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.518772 (E_RNA)
where:
Base-Base interactions energy: -518.441
where: short stacking energy: -449.871
Base-Backbone interact. energy: 0.799
local terms energy: -702.876864
where:
bonds (distance) C4'-P energy: -158.011
bonds (distance) P-C4' energy: -157.668
flat angles C4'-P-C4' energy: -162.415
flat angles P-C4'-P energy: -95.329
tors. eta vs tors. theta energy: -129.455
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: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1065.132629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.132629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.132629 (E_RNA)
where:
Base-Base interactions energy: -451.315
where: short stacking energy: -382.130
Base-Backbone interact. energy: -0.825
local terms energy: -612.992354
where:
bonds (distance) C4'-P energy: -161.400
bonds (distance) P-C4' energy: -169.821
flat angles C4'-P-C4' energy: -146.166
flat angles P-C4'-P energy: -78.731
tors. eta vs tors. theta energy: -56.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -982.696941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.696941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.696941 (E_RNA)
where:
Base-Base interactions energy: -417.101
where: short stacking energy: -330.187
Base-Backbone interact. energy: 3.021
local terms energy: -568.617632
where:
bonds (distance) C4'-P energy: -130.751
bonds (distance) P-C4' energy: -157.216
flat angles C4'-P-C4' energy: -139.475
flat angles P-C4'-P energy: -96.289
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -885.296626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.296626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.296626 (E_RNA)
where:
Base-Base interactions energy: -343.860
where: short stacking energy: -268.103
Base-Backbone interact. energy: -1.159
local terms energy: -540.277345
where:
bonds (distance) C4'-P energy: -133.220
bonds (distance) P-C4' energy: -158.396
flat angles C4'-P-C4' energy: -143.229
flat angles P-C4'-P energy: -77.329
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -831.670577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.670577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.670577 (E_RNA)
where:
Base-Base interactions energy: -317.497
where: short stacking energy: -256.842
Base-Backbone interact. energy: 3.702
local terms energy: -517.875063
where:
bonds (distance) C4'-P energy: -154.144
bonds (distance) P-C4' energy: -138.232
flat angles C4'-P-C4' energy: -117.534
flat angles P-C4'-P energy: -88.136
tors. eta vs tors. theta energy: -19.828
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: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -732.231645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.231645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.231645 (E_RNA)
where:
Base-Base interactions energy: -280.244
where: short stacking energy: -233.057
Base-Backbone interact. energy: -2.541
local terms energy: -449.447132
where:
bonds (distance) C4'-P energy: -127.835
bonds (distance) P-C4' energy: -140.439
flat angles C4'-P-C4' energy: -106.368
flat angles P-C4'-P energy: -74.045
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -625.126852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.126852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.126852 (E_RNA)
where:
Base-Base interactions energy: -210.723
where: short stacking energy: -191.399
Base-Backbone interact. energy: 6.709
local terms energy: -421.112026
where:
bonds (distance) C4'-P energy: -118.243
bonds (distance) P-C4' energy: -130.661
flat angles C4'-P-C4' energy: -115.819
flat angles P-C4'-P energy: -76.283
tors. eta vs tors. theta energy: 19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -580.882638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.882638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.882638 (E_RNA)
where:
Base-Base interactions energy: -196.901
where: short stacking energy: -170.385
Base-Backbone interact. energy: 6.264
local terms energy: -390.245230
where:
bonds (distance) C4'-P energy: -122.494
bonds (distance) P-C4' energy: -139.282
flat angles C4'-P-C4' energy: -94.820
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: 31.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1396.043797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.043797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.043797 (E_RNA)
where:
Base-Base interactions energy: -647.913
where: short stacking energy: -555.522
Base-Backbone interact. energy: -1.392
local terms energy: -746.738422
where:
bonds (distance) C4'-P energy: -168.825
bonds (distance) P-C4' energy: -157.306
flat angles C4'-P-C4' energy: -177.839
flat angles P-C4'-P energy: -116.241
tors. eta vs tors. theta energy: -126.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1303.680904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.680904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.680904 (E_RNA)
where:
Base-Base interactions energy: -617.497
where: short stacking energy: -486.040
Base-Backbone interact. energy: -0.809
local terms energy: -685.375219
where:
bonds (distance) C4'-P energy: -146.857
bonds (distance) P-C4' energy: -172.349
flat angles C4'-P-C4' energy: -165.462
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -111.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1182.283660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.283660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.283660 (E_RNA)
where:
Base-Base interactions energy: -529.183
where: short stacking energy: -443.306
Base-Backbone interact. energy: 0.452
local terms energy: -653.552241
where:
bonds (distance) C4'-P energy: -143.488
bonds (distance) P-C4' energy: -157.946
flat angles C4'-P-C4' energy: -165.392
flat angles P-C4'-P energy: -105.169
tors. eta vs tors. theta energy: -81.557
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: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1119.740765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.740765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.740765 (E_RNA)
where:
Base-Base interactions energy: -511.370
where: short stacking energy: -394.256
Base-Backbone interact. energy: -0.291
local terms energy: -608.080158
where:
bonds (distance) C4'-P energy: -141.084
bonds (distance) P-C4' energy: -169.387
flat angles C4'-P-C4' energy: -139.076
flat angles P-C4'-P energy: -94.522
tors. eta vs tors. theta energy: -64.010
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: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -987.043230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.043230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.043230 (E_RNA)
where:
Base-Base interactions energy: -416.180
where: short stacking energy: -354.039
Base-Backbone interact. energy: -0.680
local terms energy: -570.183134
where:
bonds (distance) C4'-P energy: -134.757
bonds (distance) P-C4' energy: -145.344
flat angles C4'-P-C4' energy: -139.417
flat angles P-C4'-P energy: -104.571
tors. eta vs tors. theta energy: -46.095
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: 7
Temperature: 1.150000
Total energy: -960.818602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.818602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.818602 (E_RNA)
where:
Base-Base interactions energy: -393.702
where: short stacking energy: -304.107
Base-Backbone interact. energy: 4.353
local terms energy: -571.469540
where:
bonds (distance) C4'-P energy: -138.610
bonds (distance) P-C4' energy: -168.019
flat angles C4'-P-C4' energy: -141.020
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -42.990
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: 7
Temperature: 1.200000
Total energy: -845.936833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.936833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.936833 (E_RNA)
where:
Base-Base interactions energy: -322.185
where: short stacking energy: -233.992
Base-Backbone interact. energy: -2.006
local terms energy: -521.746371
where:
bonds (distance) C4'-P energy: -150.787
bonds (distance) P-C4' energy: -154.313
flat angles C4'-P-C4' energy: -119.547
flat angles P-C4'-P energy: -75.737
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -736.572451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.572451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.572451 (E_RNA)
where:
Base-Base interactions energy: -301.237
where: short stacking energy: -226.251
Base-Backbone interact. energy: -2.732
local terms energy: -432.603610
where:
bonds (distance) C4'-P energy: -124.882
bonds (distance) P-C4' energy: -136.930
flat angles C4'-P-C4' energy: -112.850
flat angles P-C4'-P energy: -69.212
tors. eta vs tors. theta energy: 11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -645.109957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.109957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.109957 (E_RNA)
where:
Base-Base interactions energy: -231.529
where: short stacking energy: -190.417
Base-Backbone interact. energy: -2.197
local terms energy: -411.383784
where:
bonds (distance) C4'-P energy: -141.790
bonds (distance) P-C4' energy: -131.120
flat angles C4'-P-C4' energy: -92.528
flat angles P-C4'-P energy: -61.504
tors. eta vs tors. theta energy: 15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -587.749958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.749958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.749958 (E_RNA)
where:
Base-Base interactions energy: -176.665
where: short stacking energy: -162.276
Base-Backbone interact. energy: -3.411
local terms energy: -407.673706
where:
bonds (distance) C4'-P energy: -133.347
bonds (distance) P-C4' energy: -136.616
flat angles C4'-P-C4' energy: -103.793
flat angles P-C4'-P energy: -52.364
tors. eta vs tors. theta energy: 18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1432.348639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.348639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.348639 (E_RNA)
where:
Base-Base interactions energy: -675.945
where: short stacking energy: -592.138
Base-Backbone interact. energy: 2.790
local terms energy: -759.193795
where:
bonds (distance) C4'-P energy: -149.351
bonds (distance) P-C4' energy: -173.932
flat angles C4'-P-C4' energy: -169.630
flat angles P-C4'-P energy: -108.630
tors. eta vs tors. theta energy: -157.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1405.003998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.003998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.003998 (E_RNA)
where:
Base-Base interactions energy: -690.319
where: short stacking energy: -519.902
Base-Backbone interact. energy: 2.479
local terms energy: -717.164121
where:
bonds (distance) C4'-P energy: -158.160
bonds (distance) P-C4' energy: -154.600
flat angles C4'-P-C4' energy: -166.861
flat angles P-C4'-P energy: -109.539
tors. eta vs tors. theta energy: -128.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1231.737513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.737513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.737513 (E_RNA)
where:
Base-Base interactions energy: -583.446
where: short stacking energy: -464.671
Base-Backbone interact. energy: 1.528
local terms energy: -651.529703
where:
bonds (distance) C4'-P energy: -130.500
bonds (distance) P-C4' energy: -171.599
flat angles C4'-P-C4' energy: -155.494
flat angles P-C4'-P energy: -98.684
tors. eta vs tors. theta energy: -95.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.710 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1102.201601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.201601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.201601 (E_RNA)
where:
Base-Base interactions energy: -511.648
where: short stacking energy: -368.643
Base-Backbone interact. energy: -1.505
local terms energy: -589.048902
where:
bonds (distance) C4'-P energy: -157.302
bonds (distance) P-C4' energy: -147.143
flat angles C4'-P-C4' energy: -149.655
flat angles P-C4'-P energy: -71.298
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -980.569445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.569445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.569445 (E_RNA)
where:
Base-Base interactions energy: -419.621
where: short stacking energy: -350.962
Base-Backbone interact. energy: -2.255
local terms energy: -558.693860
where:
bonds (distance) C4'-P energy: -126.662
bonds (distance) P-C4' energy: -161.588
flat angles C4'-P-C4' energy: -145.913
flat angles P-C4'-P energy: -85.259
tors. eta vs tors. theta energy: -39.272
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: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -945.245944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.245944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.245944 (E_RNA)
where:
Base-Base interactions energy: -399.734
where: short stacking energy: -286.337
Base-Backbone interact. energy: -2.673
local terms energy: -542.838930
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -160.743
flat angles C4'-P-C4' energy: -140.175
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -37.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -925.448191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.448191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.448191 (E_RNA)
where:
Base-Base interactions energy: -423.987
where: short stacking energy: -291.059
Base-Backbone interact. energy: -2.114
local terms energy: -499.346302
where:
bonds (distance) C4'-P energy: -117.120
bonds (distance) P-C4' energy: -169.532
flat angles C4'-P-C4' energy: -111.088
flat angles P-C4'-P energy: -83.467
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -693.362515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.362515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.362515 (E_RNA)
where:
Base-Base interactions energy: -231.152
where: short stacking energy: -209.002
Base-Backbone interact. energy: -2.881
local terms energy: -459.330113
where:
bonds (distance) C4'-P energy: -135.230
bonds (distance) P-C4' energy: -156.075
flat angles C4'-P-C4' energy: -120.563
flat angles P-C4'-P energy: -67.438
tors. eta vs tors. theta energy: 19.975
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: 8
Temperature: 1.300000
Total energy: -645.534311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.534311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.534311 (E_RNA)
where:
Base-Base interactions energy: -209.959
where: short stacking energy: -170.267
Base-Backbone interact. energy: -3.879
local terms energy: -431.695747
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -141.260
flat angles C4'-P-C4' energy: -124.077
flat angles P-C4'-P energy: -72.483
tors. eta vs tors. theta energy: 19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -575.730478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.730478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.730478 (E_RNA)
where:
Base-Base interactions energy: -176.596
where: short stacking energy: -149.831
Base-Backbone interact. energy: 0.387
local terms energy: -399.521849
where:
bonds (distance) C4'-P energy: -130.368
bonds (distance) P-C4' energy: -127.418
flat angles C4'-P-C4' energy: -110.360
flat angles P-C4'-P energy: -59.643
tors. eta vs tors. theta energy: 28.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1392.996671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.996671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.996671 (E_RNA)
where:
Base-Base interactions energy: -663.886
where: short stacking energy: -572.663
Base-Backbone interact. energy: 0.261
local terms energy: -729.371630
where:
bonds (distance) C4'-P energy: -158.689
bonds (distance) P-C4' energy: -165.119
flat angles C4'-P-C4' energy: -160.363
flat angles P-C4'-P energy: -104.909
tors. eta vs tors. theta energy: -140.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1391.237648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.237648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.237648 (E_RNA)
where:
Base-Base interactions energy: -677.668
where: short stacking energy: -508.489
Base-Backbone interact. energy: -1.777
local terms energy: -711.792747
where:
bonds (distance) C4'-P energy: -171.560
bonds (distance) P-C4' energy: -159.902
flat angles C4'-P-C4' energy: -162.089
flat angles P-C4'-P energy: -104.455
tors. eta vs tors. theta energy: -113.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1280.442565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.442565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.442565 (E_RNA)
where:
Base-Base interactions energy: -625.039
where: short stacking energy: -471.407
Base-Backbone interact. energy: -3.392
local terms energy: -652.011476
where:
bonds (distance) C4'-P energy: -142.789
bonds (distance) P-C4' energy: -149.929
flat angles C4'-P-C4' energy: -159.656
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -106.280
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: 9
Temperature: 1.050000
Total energy: -1092.484920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.484920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.484920 (E_RNA)
where:
Base-Base interactions energy: -483.293
where: short stacking energy: -360.156
Base-Backbone interact. energy: -2.623
local terms energy: -606.568940
where:
bonds (distance) C4'-P energy: -127.625
bonds (distance) P-C4' energy: -165.853
flat angles C4'-P-C4' energy: -157.603
flat angles P-C4'-P energy: -94.705
tors. eta vs tors. theta energy: -60.783
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: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1052.697041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.697041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.697041 (E_RNA)
where:
Base-Base interactions energy: -471.789
where: short stacking energy: -348.853
Base-Backbone interact. energy: -1.129
local terms energy: -579.778617
where:
bonds (distance) C4'-P energy: -159.830
bonds (distance) P-C4' energy: -147.868
flat angles C4'-P-C4' energy: -126.458
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -56.813
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: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -993.479707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.479707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.479707 (E_RNA)
where:
Base-Base interactions energy: -450.041
where: short stacking energy: -323.281
Base-Backbone interact. energy: -2.135
local terms energy: -541.303844
where:
bonds (distance) C4'-P energy: -143.658
bonds (distance) P-C4' energy: -139.964
flat angles C4'-P-C4' energy: -133.689
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -971.480642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.480642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.480642 (E_RNA)
where:
Base-Base interactions energy: -425.006
where: short stacking energy: -285.113
Base-Backbone interact. energy: -2.162
local terms energy: -544.312756
where:
bonds (distance) C4'-P energy: -141.047
bonds (distance) P-C4' energy: -158.225
flat angles C4'-P-C4' energy: -130.475
flat angles P-C4'-P energy: -79.241
tors. eta vs tors. theta energy: -35.324
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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -706.164740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.164740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.164740 (E_RNA)
where:
Base-Base interactions energy: -266.757
where: short stacking energy: -203.195
Base-Backbone interact. energy: -0.461
local terms energy: -438.946498
where:
bonds (distance) C4'-P energy: -123.856
bonds (distance) P-C4' energy: -142.647
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: 5.466
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -667.498467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.498467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.498467 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -176.161
Base-Backbone interact. energy: -0.040
local terms energy: -478.431105
where:
bonds (distance) C4'-P energy: -136.696
bonds (distance) P-C4' energy: -163.333
flat angles C4'-P-C4' energy: -113.133
flat angles P-C4'-P energy: -78.549
tors. eta vs tors. theta energy: 13.279
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -591.564670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.564670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.564670 (E_RNA)
where:
Base-Base interactions energy: -210.890
where: short stacking energy: -172.502
Base-Backbone interact. energy: 3.264
local terms energy: -383.939328
where:
bonds (distance) C4'-P energy: -120.717
bonds (distance) P-C4' energy: -117.482
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -59.145
tors. eta vs tors. theta energy: 15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1466.390677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.390677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.390677 (E_RNA)
where:
Base-Base interactions energy: -682.140
where: short stacking energy: -593.247
Base-Backbone interact. energy: -2.825
local terms energy: -781.426149
where:
bonds (distance) C4'-P energy: -159.962
bonds (distance) P-C4' energy: -168.687
flat angles C4'-P-C4' energy: -187.590
flat angles P-C4'-P energy: -106.061
tors. eta vs tors. theta energy: -159.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1512.176333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.176333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.176333 (E_RNA)
where:
Base-Base interactions energy: -781.272
where: short stacking energy: -548.839
Base-Backbone interact. energy: -2.314
local terms energy: -728.590010
where:
bonds (distance) C4'-P energy: -160.569
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -175.476
flat angles P-C4'-P energy: -111.080
tors. eta vs tors. theta energy: -127.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1284.238447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.238447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.238447 (E_RNA)
where:
Base-Base interactions energy: -641.826
where: short stacking energy: -455.536
Base-Backbone interact. energy: -0.555
local terms energy: -641.857496
where:
bonds (distance) C4'-P energy: -141.358
bonds (distance) P-C4' energy: -165.057
flat angles C4'-P-C4' energy: -145.240
flat angles P-C4'-P energy: -89.623
tors. eta vs tors. theta energy: -100.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1143.845742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.845742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.845742 (E_RNA)
where:
Base-Base interactions energy: -537.751
where: short stacking energy: -403.123
Base-Backbone interact. energy: 1.068
local terms energy: -607.162747
where:
bonds (distance) C4'-P energy: -151.682
bonds (distance) P-C4' energy: -165.044
flat angles C4'-P-C4' energy: -160.638
flat angles P-C4'-P energy: -63.984
tors. eta vs tors. theta energy: -65.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1147.414980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.414980 (E_RNA)
where:
Base-Base interactions energy: -553.068
where: short stacking energy: -369.877
Base-Backbone interact. energy: -2.740
local terms energy: -591.607146
where:
bonds (distance) C4'-P energy: -138.686
bonds (distance) P-C4' energy: -152.283
flat angles C4'-P-C4' energy: -153.709
flat angles P-C4'-P energy: -88.113
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -991.882669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.882669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.882669 (E_RNA)
where:
Base-Base interactions energy: -432.517
where: short stacking energy: -333.323
Base-Backbone interact. energy: -1.864
local terms energy: -557.501529
where:
bonds (distance) C4'-P energy: -141.322
bonds (distance) P-C4' energy: -164.881
flat angles C4'-P-C4' energy: -131.559
flat angles P-C4'-P energy: -74.862
tors. eta vs tors. theta energy: -44.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -982.027912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.027912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.027912 (E_RNA)
where:
Base-Base interactions energy: -444.489
where: short stacking energy: -299.507
Base-Backbone interact. energy: 1.583
local terms energy: -539.122392
where:
bonds (distance) C4'-P energy: -133.940
bonds (distance) P-C4' energy: -155.306
flat angles C4'-P-C4' energy: -131.481
flat angles P-C4'-P energy: -64.563
tors. eta vs tors. theta energy: -53.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -750.050990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.050990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.050990 (E_RNA)
where:
Base-Base interactions energy: -281.627
where: short stacking energy: -206.266
Base-Backbone interact. energy: 1.619
local terms energy: -470.042976
where:
bonds (distance) C4'-P energy: -130.697
bonds (distance) P-C4' energy: -158.855
flat angles C4'-P-C4' energy: -127.059
flat angles P-C4'-P energy: -66.337
tors. eta vs tors. theta energy: 12.906
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -675.966335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.966335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.966335 (E_RNA)
where:
Base-Base interactions energy: -206.017
where: short stacking energy: -185.048
Base-Backbone interact. energy: -1.607
local terms energy: -468.342290
where:
bonds (distance) C4'-P energy: -124.667
bonds (distance) P-C4' energy: -158.097
flat angles C4'-P-C4' energy: -101.643
flat angles P-C4'-P energy: -82.265
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -594.410045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.410045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.410045 (E_RNA)
where:
Base-Base interactions energy: -189.374
where: short stacking energy: -166.276
Base-Backbone interact. energy: 7.466
local terms energy: -412.502665
where:
bonds (distance) C4'-P energy: -121.438
bonds (distance) P-C4' energy: -144.409
flat angles C4'-P-C4' energy: -130.497
flat angles P-C4'-P energy: -53.023
tors. eta vs tors. theta energy: 36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1478.195402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.195402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.195402 (E_RNA)
where:
Base-Base interactions energy: -710.503
where: short stacking energy: -601.812
Base-Backbone interact. energy: 1.515
local terms energy: -769.206555
where:
bonds (distance) C4'-P energy: -164.951
bonds (distance) P-C4' energy: -180.741
flat angles C4'-P-C4' energy: -153.459
flat angles P-C4'-P energy: -117.259
tors. eta vs tors. theta energy: -152.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1509.691600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.691600 (E_RNA)
where:
Base-Base interactions energy: -807.160
where: short stacking energy: -535.513
Base-Backbone interact. energy: -3.414
local terms energy: -699.117974
where:
bonds (distance) C4'-P energy: -138.273
bonds (distance) P-C4' energy: -160.639
flat angles C4'-P-C4' energy: -186.788
flat angles P-C4'-P energy: -88.339
tors. eta vs tors. theta energy: -125.078
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1366.887359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.887359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.887359 (E_RNA)
where:
Base-Base interactions energy: -704.474
where: short stacking energy: -471.529
Base-Backbone interact. energy: -2.394
local terms energy: -661.779956
where:
bonds (distance) C4'-P energy: -161.490
bonds (distance) P-C4' energy: -158.236
flat angles C4'-P-C4' energy: -153.483
flat angles P-C4'-P energy: -92.240
tors. eta vs tors. theta energy: -96.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.761 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1191.020738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.020738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.020738 (E_RNA)
where:
Base-Base interactions energy: -540.259
where: short stacking energy: -436.422
Base-Backbone interact. energy: -1.800
local terms energy: -648.961995
where:
bonds (distance) C4'-P energy: -155.143
bonds (distance) P-C4' energy: -154.397
flat angles C4'-P-C4' energy: -160.294
flat angles P-C4'-P energy: -77.873
tors. eta vs tors. theta energy: -101.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1127.863874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.863874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.863874 (E_RNA)
where:
Base-Base interactions energy: -563.707
where: short stacking energy: -370.331
Base-Backbone interact. energy: 7.775
local terms energy: -571.931358
where:
bonds (distance) C4'-P energy: -142.221
bonds (distance) P-C4' energy: -136.779
flat angles C4'-P-C4' energy: -143.767
flat angles P-C4'-P energy: -102.924
tors. eta vs tors. theta energy: -46.241
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: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1034.444341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.444341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.444341 (E_RNA)
where:
Base-Base interactions energy: -505.583
where: short stacking energy: -323.090
Base-Backbone interact. energy: -0.343
local terms energy: -528.518303
where:
bonds (distance) C4'-P energy: -143.583
bonds (distance) P-C4' energy: -131.426
flat angles C4'-P-C4' energy: -129.806
flat angles P-C4'-P energy: -87.965
tors. eta vs tors. theta energy: -35.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -950.430818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.430818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.430818 (E_RNA)
where:
Base-Base interactions energy: -439.585
where: short stacking energy: -302.066
Base-Backbone interact. energy: 2.060
local terms energy: -512.906129
where:
bonds (distance) C4'-P energy: -131.375
bonds (distance) P-C4' energy: -159.943
flat angles C4'-P-C4' energy: -121.520
flat angles P-C4'-P energy: -62.808
tors. eta vs tors. theta energy: -37.260
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -832.777132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.777132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.777132 (E_RNA)
where:
Base-Base interactions energy: -354.936
where: short stacking energy: -247.179
Base-Backbone interact. energy: 6.247
local terms energy: -484.087653
where:
bonds (distance) C4'-P energy: -132.539
bonds (distance) P-C4' energy: -162.582
flat angles C4'-P-C4' energy: -109.215
flat angles P-C4'-P energy: -77.737
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -668.358811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.358811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.358811 (E_RNA)
where:
Base-Base interactions energy: -241.386
where: short stacking energy: -223.536
Base-Backbone interact. energy: 2.350
local terms energy: -429.322454
where:
bonds (distance) C4'-P energy: -127.774
bonds (distance) P-C4' energy: -126.317
flat angles C4'-P-C4' energy: -96.865
flat angles P-C4'-P energy: -77.707
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -580.675878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.675878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.675878 (E_RNA)
where:
Base-Base interactions energy: -179.471
where: short stacking energy: -165.845
Base-Backbone interact. energy: 8.655
local terms energy: -409.859703
where:
bonds (distance) C4'-P energy: -134.617
bonds (distance) P-C4' energy: -127.911
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -71.564
tors. eta vs tors. theta energy: 29.932
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: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1648.609562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.609562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.609562 (E_RNA)
where:
Base-Base interactions energy: -881.613
where: short stacking energy: -602.514
Base-Backbone interact. energy: -1.277
local terms energy: -765.719657
where:
bonds (distance) C4'-P energy: -153.897
bonds (distance) P-C4' energy: -173.952
flat angles C4'-P-C4' energy: -173.923
flat angles P-C4'-P energy: -113.286
tors. eta vs tors. theta energy: -150.663
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: 12
Temperature: 0.950000
Total energy: -1453.216694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.216694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.216694 (E_RNA)
where:
Base-Base interactions energy: -729.822
where: short stacking energy: -545.834
Base-Backbone interact. energy: -2.632
local terms energy: -721.256267
where:
bonds (distance) C4'-P energy: -162.520
bonds (distance) P-C4' energy: -165.088
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -95.461
tors. eta vs tors. theta energy: -145.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.494 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1412.928492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.928492 (E_RNA)
where:
Base-Base interactions energy: -743.624
where: short stacking energy: -462.027
Base-Backbone interact. energy: -0.393
local terms energy: -668.911437
where:
bonds (distance) C4'-P energy: -157.861
bonds (distance) P-C4' energy: -164.635
flat angles C4'-P-C4' energy: -146.427
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -93.828
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1150.076006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.076006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.076006 (E_RNA)
where:
Base-Base interactions energy: -572.150
where: short stacking energy: -344.465
Base-Backbone interact. energy: 4.346
local terms energy: -582.271896
where:
bonds (distance) C4'-P energy: -151.513
bonds (distance) P-C4' energy: -156.081
flat angles C4'-P-C4' energy: -142.096
flat angles P-C4'-P energy: -82.155
tors. eta vs tors. theta energy: -50.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1229.044639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.044639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.044639 (E_RNA)
where:
Base-Base interactions energy: -632.564
where: short stacking energy: -410.046
Base-Backbone interact. energy: -2.351
local terms energy: -594.129662
where:
bonds (distance) C4'-P energy: -143.884
bonds (distance) P-C4' energy: -136.521
flat angles C4'-P-C4' energy: -136.211
flat angles P-C4'-P energy: -107.554
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1040.800136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.800136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.800136 (E_RNA)
where:
Base-Base interactions energy: -484.827
where: short stacking energy: -305.010
Base-Backbone interact. energy: -1.709
local terms energy: -554.263653
where:
bonds (distance) C4'-P energy: -142.836
bonds (distance) P-C4' energy: -170.522
flat angles C4'-P-C4' energy: -148.630
flat angles P-C4'-P energy: -55.510
tors. eta vs tors. theta energy: -36.766
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: 12
Temperature: 1.200000
Total energy: -951.196014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.196014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.196014 (E_RNA)
where:
Base-Base interactions energy: -443.191
where: short stacking energy: -316.073
Base-Backbone interact. energy: -1.732
local terms energy: -506.272554
where:
bonds (distance) C4'-P energy: -130.923
bonds (distance) P-C4' energy: -141.826
flat angles C4'-P-C4' energy: -143.016
flat angles P-C4'-P energy: -79.159
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -790.897566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.897566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.897566 (E_RNA)
where:
Base-Base interactions energy: -328.132
where: short stacking energy: -254.516
Base-Backbone interact. energy: -2.325
local terms energy: -460.440814
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -131.063
flat angles C4'-P-C4' energy: -114.717
flat angles P-C4'-P energy: -74.194
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -626.430271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.430271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.430271 (E_RNA)
where:
Base-Base interactions energy: -233.915
where: short stacking energy: -189.385
Base-Backbone interact. energy: -1.219
local terms energy: -391.296572
where:
bonds (distance) C4'-P energy: -111.423
bonds (distance) P-C4' energy: -132.602
flat angles C4'-P-C4' energy: -115.422
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: 18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -592.481788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.481788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.481788 (E_RNA)
where:
Base-Base interactions energy: -216.972
where: short stacking energy: -191.588
Base-Backbone interact. energy: -3.114
local terms energy: -372.395759
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -132.898
flat angles C4'-P-C4' energy: -96.036
flat angles P-C4'-P energy: -56.128
tors. eta vs tors. theta energy: 33.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1710.696002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.696002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.696002 (E_RNA)
where:
Base-Base interactions energy: -932.473
where: short stacking energy: -592.505
Base-Backbone interact. energy: 0.027
local terms energy: -778.249863
where:
bonds (distance) C4'-P energy: -166.511
bonds (distance) P-C4' energy: -171.602
flat angles C4'-P-C4' energy: -180.868
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -150.237
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: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1467.906622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.906622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.906622 (E_RNA)
where:
Base-Base interactions energy: -733.947
where: short stacking energy: -547.515
Base-Backbone interact. energy: 4.098
local terms energy: -738.223245
where:
bonds (distance) C4'-P energy: -166.732
bonds (distance) P-C4' energy: -164.846
flat angles C4'-P-C4' energy: -171.006
flat angles P-C4'-P energy: -103.441
tors. eta vs tors. theta energy: -132.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1479.903862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.903862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.903862 (E_RNA)
where:
Base-Base interactions energy: -808.424
where: short stacking energy: -501.548
Base-Backbone interact. energy: -0.099
local terms energy: -671.381324
where:
bonds (distance) C4'-P energy: -131.709
bonds (distance) P-C4' energy: -167.922
flat angles C4'-P-C4' energy: -162.125
flat angles P-C4'-P energy: -105.886
tors. eta vs tors. theta energy: -103.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1301.063014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.063014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.063014 (E_RNA)
where:
Base-Base interactions energy: -658.633
where: short stacking energy: -437.092
Base-Backbone interact. energy: 2.484
local terms energy: -644.913423
where:
bonds (distance) C4'-P energy: -164.708
bonds (distance) P-C4' energy: -168.571
flat angles C4'-P-C4' energy: -155.689
flat angles P-C4'-P energy: -84.935
tors. eta vs tors. theta energy: -71.010
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: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1169.488150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.488150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.488150 (E_RNA)
where:
Base-Base interactions energy: -577.866
where: short stacking energy: -374.763
Base-Backbone interact. energy: -1.104
local terms energy: -590.518273
where:
bonds (distance) C4'-P energy: -156.184
bonds (distance) P-C4' energy: -144.925
flat angles C4'-P-C4' energy: -135.063
flat angles P-C4'-P energy: -94.155
tors. eta vs tors. theta energy: -60.190
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -997.171863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.171863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.171863 (E_RNA)
where:
Base-Base interactions energy: -483.793
where: short stacking energy: -342.791
Base-Backbone interact. energy: 6.728
local terms energy: -520.106806
where:
bonds (distance) C4'-P energy: -120.897
bonds (distance) P-C4' energy: -149.968
flat angles C4'-P-C4' energy: -126.960
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -45.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1049.433333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.433333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.433333 (E_RNA)
where:
Base-Base interactions energy: -541.763
where: short stacking energy: -319.913
Base-Backbone interact. energy: -1.265
local terms energy: -506.405815
where:
bonds (distance) C4'-P energy: -111.461
bonds (distance) P-C4' energy: -148.038
flat angles C4'-P-C4' energy: -136.301
flat angles P-C4'-P energy: -77.238
tors. eta vs tors. theta energy: -33.367
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: 13
Temperature: 1.250000
Total energy: -754.823453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.823453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.823453 (E_RNA)
where:
Base-Base interactions energy: -297.027
where: short stacking energy: -214.919
Base-Backbone interact. energy: 2.154
local terms energy: -459.949747
where:
bonds (distance) C4'-P energy: -120.374
bonds (distance) P-C4' energy: -163.015
flat angles C4'-P-C4' energy: -111.579
flat angles P-C4'-P energy: -73.450
tors. eta vs tors. theta energy: 8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -677.995588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.995588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.995588 (E_RNA)
where:
Base-Base interactions energy: -268.237
where: short stacking energy: -189.761
Base-Backbone interact. energy: 2.304
local terms energy: -412.061894
where:
bonds (distance) C4'-P energy: -120.508
bonds (distance) P-C4' energy: -154.429
flat angles C4'-P-C4' energy: -99.751
flat angles P-C4'-P energy: -68.514
tors. eta vs tors. theta energy: 31.140
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -585.862245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.862245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.862245 (E_RNA)
where:
Base-Base interactions energy: -166.911
where: short stacking energy: -143.400
Base-Backbone interact. energy: -2.906
local terms energy: -416.045239
where:
bonds (distance) C4'-P energy: -120.460
bonds (distance) P-C4' energy: -138.794
flat angles C4'-P-C4' energy: -121.923
flat angles P-C4'-P energy: -64.775
tors. eta vs tors. theta energy: 29.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1695.982731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.982731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.982731 (E_RNA)
where:
Base-Base interactions energy: -943.738
where: short stacking energy: -585.383
Base-Backbone interact. energy: -1.590
local terms energy: -750.654323
where:
bonds (distance) C4'-P energy: -158.143
bonds (distance) P-C4' energy: -162.871
flat angles C4'-P-C4' energy: -170.929
flat angles P-C4'-P energy: -114.155
tors. eta vs tors. theta energy: -144.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1461.470969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.470969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.470969 (E_RNA)
where:
Base-Base interactions energy: -731.842
where: short stacking energy: -531.618
Base-Backbone interact. energy: -1.921
local terms energy: -727.707799
where:
bonds (distance) C4'-P energy: -148.491
bonds (distance) P-C4' energy: -172.495
flat angles C4'-P-C4' energy: -158.534
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -140.921
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1564.694098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.694098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.694098 (E_RNA)
where:
Base-Base interactions energy: -874.295
where: short stacking energy: -521.101
Base-Backbone interact. energy: -1.385
local terms energy: -689.013825
where:
bonds (distance) C4'-P energy: -146.850
bonds (distance) P-C4' energy: -134.714
flat angles C4'-P-C4' energy: -175.151
flat angles P-C4'-P energy: -109.258
tors. eta vs tors. theta energy: -123.041
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: 14
Temperature: 1.050000
Total energy: -1338.277720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.277720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.277720 (E_RNA)
where:
Base-Base interactions energy: -707.399
where: short stacking energy: -477.173
Base-Backbone interact. energy: 4.149
local terms energy: -635.027217
where:
bonds (distance) C4'-P energy: -122.015
bonds (distance) P-C4' energy: -169.291
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -93.191
tors. eta vs tors. theta energy: -97.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1181.401223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.401223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.401223 (E_RNA)
where:
Base-Base interactions energy: -599.736
where: short stacking energy: -393.888
Base-Backbone interact. energy: 4.169
local terms energy: -585.833522
where:
bonds (distance) C4'-P energy: -134.819
bonds (distance) P-C4' energy: -148.983
flat angles C4'-P-C4' energy: -156.616
flat angles P-C4'-P energy: -71.186
tors. eta vs tors. theta energy: -74.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1007.219763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.219763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.219763 (E_RNA)
where:
Base-Base interactions energy: -496.485
where: short stacking energy: -347.387
Base-Backbone interact. energy: -0.480
local terms energy: -510.255162
where:
bonds (distance) C4'-P energy: -139.317
bonds (distance) P-C4' energy: -137.545
flat angles C4'-P-C4' energy: -122.054
flat angles P-C4'-P energy: -80.146
tors. eta vs tors. theta energy: -31.193
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1105.117610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.117610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.117610 (E_RNA)
where:
Base-Base interactions energy: -568.310
where: short stacking energy: -285.383
Base-Backbone interact. energy: -1.143
local terms energy: -535.665104
where:
bonds (distance) C4'-P energy: -156.553
bonds (distance) P-C4' energy: -145.870
flat angles C4'-P-C4' energy: -130.272
flat angles P-C4'-P energy: -84.607
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -766.524764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.524764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.524764 (E_RNA)
where:
Base-Base interactions energy: -321.902
where: short stacking energy: -255.768
Base-Backbone interact. energy: 3.400
local terms energy: -448.022702
where:
bonds (distance) C4'-P energy: -113.679
bonds (distance) P-C4' energy: -130.504
flat angles C4'-P-C4' energy: -124.113
flat angles P-C4'-P energy: -76.681
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -728.057602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.057602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.057602 (E_RNA)
where:
Base-Base interactions energy: -306.050
where: short stacking energy: -175.081
Base-Backbone interact. energy: 0.026
local terms energy: -422.034366
where:
bonds (distance) C4'-P energy: -115.281
bonds (distance) P-C4' energy: -143.148
flat angles C4'-P-C4' energy: -108.019
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -625.371619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.371619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.371619 (E_RNA)
where:
Base-Base interactions energy: -214.632
where: short stacking energy: -190.786
Base-Backbone interact. energy: -2.654
local terms energy: -408.085162
where:
bonds (distance) C4'-P energy: -115.807
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -106.762
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: 16.909
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1696.361153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.361153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.361153 (E_RNA)
where:
Base-Base interactions energy: -929.304
where: short stacking energy: -583.102
Base-Backbone interact. energy: -0.437
local terms energy: -766.620643
where:
bonds (distance) C4'-P energy: -170.671
bonds (distance) P-C4' energy: -166.375
flat angles C4'-P-C4' energy: -179.617
flat angles P-C4'-P energy: -86.590
tors. eta vs tors. theta energy: -163.367
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1704.044509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.044509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.044509 (E_RNA)
where:
Base-Base interactions energy: -959.964
where: short stacking energy: -550.292
Base-Backbone interact. energy: 0.949
local terms energy: -745.029720
where:
bonds (distance) C4'-P energy: -140.923
bonds (distance) P-C4' energy: -189.811
flat angles C4'-P-C4' energy: -158.004
flat angles P-C4'-P energy: -104.437
tors. eta vs tors. theta energy: -151.854
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: 15
Temperature: 1.000000
Total energy: -1400.187020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.187020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.187020 (E_RNA)
where:
Base-Base interactions energy: -708.100
where: short stacking energy: -526.351
Base-Backbone interact. energy: 2.191
local terms energy: -694.278352
where:
bonds (distance) C4'-P energy: -139.745
bonds (distance) P-C4' energy: -165.249
flat angles C4'-P-C4' energy: -164.511
flat angles P-C4'-P energy: -89.403
tors. eta vs tors. theta energy: -135.370
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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1346.348986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.348986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.348986 (E_RNA)
where:
Base-Base interactions energy: -696.744
where: short stacking energy: -436.198
Base-Backbone interact. energy: 2.552
local terms energy: -652.156312
where:
bonds (distance) C4'-P energy: -156.695
bonds (distance) P-C4' energy: -146.845
flat angles C4'-P-C4' energy: -160.996
flat angles P-C4'-P energy: -103.410
tors. eta vs tors. theta energy: -84.211
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1209.545181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.545181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.545181 (E_RNA)
where:
Base-Base interactions energy: -616.275
where: short stacking energy: -419.101
Base-Backbone interact. energy: 1.164
local terms energy: -594.434562
where:
bonds (distance) C4'-P energy: -132.472
bonds (distance) P-C4' energy: -140.541
flat angles C4'-P-C4' energy: -143.584
flat angles P-C4'-P energy: -92.492
tors. eta vs tors. theta energy: -85.344
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: 15
Temperature: 1.150000
Total energy: -1135.625492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.625492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.625492 (E_RNA)
where:
Base-Base interactions energy: -579.733
where: short stacking energy: -337.495
Base-Backbone interact. energy: -0.511
local terms energy: -555.381596
where:
bonds (distance) C4'-P energy: -140.588
bonds (distance) P-C4' energy: -138.525
flat angles C4'-P-C4' energy: -147.664
flat angles P-C4'-P energy: -87.443
tors. eta vs tors. theta energy: -41.162
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: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -963.602411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.602411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.602411 (E_RNA)
where:
Base-Base interactions energy: -451.666
where: short stacking energy: -300.897
Base-Backbone interact. energy: -1.433
local terms energy: -510.503352
where:
bonds (distance) C4'-P energy: -126.312
bonds (distance) P-C4' energy: -127.711
flat angles C4'-P-C4' energy: -140.523
flat angles P-C4'-P energy: -74.053
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -777.860999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.860999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.860999 (E_RNA)
where:
Base-Base interactions energy: -309.697
where: short stacking energy: -248.274
Base-Backbone interact. energy: -0.633
local terms energy: -467.530315
where:
bonds (distance) C4'-P energy: -131.063
bonds (distance) P-C4' energy: -142.089
flat angles C4'-P-C4' energy: -106.494
flat angles P-C4'-P energy: -76.145
tors. eta vs tors. theta energy: -11.740
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -738.636689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.636689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.636689 (E_RNA)
where:
Base-Base interactions energy: -309.196
where: short stacking energy: -210.659
Base-Backbone interact. energy: -0.554
local terms energy: -428.886809
where:
bonds (distance) C4'-P energy: -139.415
bonds (distance) P-C4' energy: -135.868
flat angles C4'-P-C4' energy: -106.158
flat angles P-C4'-P energy: -61.687
tors. eta vs tors. theta energy: 14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -611.353451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.353451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.353451 (E_RNA)
where:
Base-Base interactions energy: -200.097
where: short stacking energy: -183.224
Base-Backbone interact. energy: -2.715
local terms energy: -408.542342
where:
bonds (distance) C4'-P energy: -96.317
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -119.424
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: 8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1832.727826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.727826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.727826 (E_RNA)
where:
Base-Base interactions energy: -1064.825
where: short stacking energy: -599.249
Base-Backbone interact. energy: -2.627
local terms energy: -765.275374
where:
bonds (distance) C4'-P energy: -168.651
bonds (distance) P-C4' energy: -162.058
flat angles C4'-P-C4' energy: -175.759
flat angles P-C4'-P energy: -108.613
tors. eta vs tors. theta energy: -150.195
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1620.052315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.052315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.052315 (E_RNA)
where:
Base-Base interactions energy: -896.620
where: short stacking energy: -573.663
Base-Backbone interact. energy: -3.380
local terms energy: -720.052978
where:
bonds (distance) C4'-P energy: -142.829
bonds (distance) P-C4' energy: -158.585
flat angles C4'-P-C4' energy: -181.692
flat angles P-C4'-P energy: -107.079
tors. eta vs tors. theta energy: -129.868
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: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1539.272543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.272543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.272543 (E_RNA)
where:
Base-Base interactions energy: -834.802
where: short stacking energy: -495.793
Base-Backbone interact. energy: -1.936
local terms energy: -702.534519
where:
bonds (distance) C4'-P energy: -157.197
bonds (distance) P-C4' energy: -150.190
flat angles C4'-P-C4' energy: -177.254
flat angles P-C4'-P energy: -94.710
tors. eta vs tors. theta energy: -123.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1362.846523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.846523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.846523 (E_RNA)
where:
Base-Base interactions energy: -737.882
where: short stacking energy: -461.965
Base-Backbone interact. energy: -1.437
local terms energy: -623.527753
where:
bonds (distance) C4'-P energy: -145.108
bonds (distance) P-C4' energy: -154.434
flat angles C4'-P-C4' energy: -145.818
flat angles P-C4'-P energy: -76.209
tors. eta vs tors. theta energy: -101.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1233.703805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.703805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.703805 (E_RNA)
where:
Base-Base interactions energy: -647.726
where: short stacking energy: -392.813
Base-Backbone interact. energy: 0.334
local terms energy: -586.312332
where:
bonds (distance) C4'-P energy: -143.567
bonds (distance) P-C4' energy: -170.536
flat angles C4'-P-C4' energy: -134.946
flat angles P-C4'-P energy: -78.607
tors. eta vs tors. theta energy: -58.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1140.612615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.612615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.612615 (E_RNA)
where:
Base-Base interactions energy: -589.332
where: short stacking energy: -354.086
Base-Backbone interact. energy: -0.616
local terms energy: -550.664786
where:
bonds (distance) C4'-P energy: -138.007
bonds (distance) P-C4' energy: -158.414
flat angles C4'-P-C4' energy: -131.902
flat angles P-C4'-P energy: -89.725
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -992.339951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.339951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.339951 (E_RNA)
where:
Base-Base interactions energy: -473.696
where: short stacking energy: -291.347
Base-Backbone interact. energy: 3.139
local terms energy: -521.783438
where:
bonds (distance) C4'-P energy: -145.717
bonds (distance) P-C4' energy: -164.148
flat angles C4'-P-C4' energy: -124.548
flat angles P-C4'-P energy: -70.574
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -765.447036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.447036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.447036 (E_RNA)
where:
Base-Base interactions energy: -320.699
where: short stacking energy: -229.789
Base-Backbone interact. energy: 0.398
local terms energy: -445.145934
where:
bonds (distance) C4'-P energy: -128.947
bonds (distance) P-C4' energy: -125.867
flat angles C4'-P-C4' energy: -118.797
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -719.052833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.052833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.052833 (E_RNA)
where:
Base-Base interactions energy: -303.150
where: short stacking energy: -206.008
Base-Backbone interact. energy: 0.284
local terms energy: -416.187003
where:
bonds (distance) C4'-P energy: -121.341
bonds (distance) P-C4' energy: -147.189
flat angles C4'-P-C4' energy: -96.461
flat angles P-C4'-P energy: -65.878
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -640.191308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.191308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.191308 (E_RNA)
where:
Base-Base interactions energy: -231.149
where: short stacking energy: -167.726
Base-Backbone interact. energy: 12.568
local terms energy: -421.610932
where:
bonds (distance) C4'-P energy: -154.650
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -127.180
flat angles P-C4'-P energy: -53.006
tors. eta vs tors. theta energy: 29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1834.808828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.808828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.808828 (E_RNA)
where:
Base-Base interactions energy: -1069.320
where: short stacking energy: -598.918
Base-Backbone interact. energy: -4.025
local terms energy: -761.464136
where:
bonds (distance) C4'-P energy: -158.160
bonds (distance) P-C4' energy: -161.314
flat angles C4'-P-C4' energy: -176.404
flat angles P-C4'-P energy: -114.234
tors. eta vs tors. theta energy: -151.353
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1612.813993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.813993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.813993 (E_RNA)
where:
Base-Base interactions energy: -882.091
where: short stacking energy: -567.196
Base-Backbone interact. energy: -1.048
local terms energy: -729.675262
where:
bonds (distance) C4'-P energy: -145.360
bonds (distance) P-C4' energy: -170.768
flat angles C4'-P-C4' energy: -162.449
flat angles P-C4'-P energy: -101.568
tors. eta vs tors. theta energy: -149.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1537.763475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.763475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.763475 (E_RNA)
where:
Base-Base interactions energy: -857.219
where: short stacking energy: -532.206
Base-Backbone interact. energy: 1.580
local terms energy: -682.125044
where:
bonds (distance) C4'-P energy: -136.162
bonds (distance) P-C4' energy: -160.080
flat angles C4'-P-C4' energy: -156.551
flat angles P-C4'-P energy: -100.672
tors. eta vs tors. theta energy: -128.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1401.145973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.145973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.145973 (E_RNA)
where:
Base-Base interactions energy: -769.502
where: short stacking energy: -451.702
Base-Backbone interact. energy: -2.641
local terms energy: -629.003079
where:
bonds (distance) C4'-P energy: -141.980
bonds (distance) P-C4' energy: -156.734
flat angles C4'-P-C4' energy: -156.859
flat angles P-C4'-P energy: -93.479
tors. eta vs tors. theta energy: -79.951
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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1268.593494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.593494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.593494 (E_RNA)
where:
Base-Base interactions energy: -647.119
where: short stacking energy: -410.694
Base-Backbone interact. energy: 2.431
local terms energy: -623.906146
where:
bonds (distance) C4'-P energy: -145.893
bonds (distance) P-C4' energy: -147.782
flat angles C4'-P-C4' energy: -156.527
flat angles P-C4'-P energy: -94.111
tors. eta vs tors. theta energy: -79.593
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: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1192.432412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.432412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.432412 (E_RNA)
where:
Base-Base interactions energy: -645.658
where: short stacking energy: -387.586
Base-Backbone interact. energy: -0.437
local terms energy: -546.338266
where:
bonds (distance) C4'-P energy: -135.604
bonds (distance) P-C4' energy: -126.270
flat angles C4'-P-C4' energy: -141.184
flat angles P-C4'-P energy: -70.367
tors. eta vs tors. theta energy: -72.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -938.877075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.877075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.877075 (E_RNA)
where:
Base-Base interactions energy: -447.739
where: short stacking energy: -262.710
Base-Backbone interact. energy: -2.907
local terms energy: -488.230939
where:
bonds (distance) C4'-P energy: -128.109
bonds (distance) P-C4' energy: -144.622
flat angles C4'-P-C4' energy: -124.032
flat angles P-C4'-P energy: -72.650
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -815.083082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.083082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.083082 (E_RNA)
where:
Base-Base interactions energy: -327.579
where: short stacking energy: -242.008
Base-Backbone interact. energy: -1.164
local terms energy: -486.339183
where:
bonds (distance) C4'-P energy: -149.425
bonds (distance) P-C4' energy: -134.846
flat angles C4'-P-C4' energy: -112.959
flat angles P-C4'-P energy: -66.906
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -729.978002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.978002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.978002 (E_RNA)
where:
Base-Base interactions energy: -329.079
where: short stacking energy: -218.428
Base-Backbone interact. energy: 3.669
local terms energy: -404.568547
where:
bonds (distance) C4'-P energy: -134.848
bonds (distance) P-C4' energy: -128.555
flat angles C4'-P-C4' energy: -101.070
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: 8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -666.160944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.160944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.160944 (E_RNA)
where:
Base-Base interactions energy: -260.957
where: short stacking energy: -196.748
Base-Backbone interact. energy: 0.517
local terms energy: -405.721118
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -128.441
flat angles C4'-P-C4' energy: -118.120
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: 36.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1857.908467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.908467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.908467 (E_RNA)
where:
Base-Base interactions energy: -1105.222
where: short stacking energy: -602.434
Base-Backbone interact. energy: -1.024
local terms energy: -751.662269
where:
bonds (distance) C4'-P energy: -165.748
bonds (distance) P-C4' energy: -167.333
flat angles C4'-P-C4' energy: -166.714
flat angles P-C4'-P energy: -107.124
tors. eta vs tors. theta energy: -144.744
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1612.308482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.308482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.308482 (E_RNA)
where:
Base-Base interactions energy: -918.981
where: short stacking energy: -562.713
Base-Backbone interact. energy: -1.150
local terms energy: -692.176805
where:
bonds (distance) C4'-P energy: -157.495
bonds (distance) P-C4' energy: -149.800
flat angles C4'-P-C4' energy: -149.542
flat angles P-C4'-P energy: -96.300
tors. eta vs tors. theta energy: -139.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1576.537289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.537289 (E_RNA)
where:
Base-Base interactions energy: -849.012
where: short stacking energy: -507.506
Base-Backbone interact. energy: -1.989
local terms energy: -725.536827
where:
bonds (distance) C4'-P energy: -177.393
bonds (distance) P-C4' energy: -161.575
flat angles C4'-P-C4' energy: -145.010
flat angles P-C4'-P energy: -100.692
tors. eta vs tors. theta energy: -140.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1353.726012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.726012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.726012 (E_RNA)
where:
Base-Base interactions energy: -678.638
where: short stacking energy: -444.884
Base-Backbone interact. energy: 0.406
local terms energy: -675.494834
where:
bonds (distance) C4'-P energy: -159.539
bonds (distance) P-C4' energy: -155.386
flat angles C4'-P-C4' energy: -147.730
flat angles P-C4'-P energy: -103.410
tors. eta vs tors. theta energy: -109.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1288.369073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.369073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.369073 (E_RNA)
where:
Base-Base interactions energy: -698.433
where: short stacking energy: -419.122
Base-Backbone interact. energy: 0.221
local terms energy: -590.156996
where:
bonds (distance) C4'-P energy: -133.828
bonds (distance) P-C4' energy: -148.807
flat angles C4'-P-C4' energy: -137.767
flat angles P-C4'-P energy: -88.372
tors. eta vs tors. theta energy: -81.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1210.364529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.364529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.364529 (E_RNA)
where:
Base-Base interactions energy: -666.287
where: short stacking energy: -374.727
Base-Backbone interact. energy: -0.735
local terms energy: -543.342286
where:
bonds (distance) C4'-P energy: -129.588
bonds (distance) P-C4' energy: -152.480
flat angles C4'-P-C4' energy: -127.118
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -47.706
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: 18
Temperature: 1.200000
Total energy: -930.982156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.982156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.982156 (E_RNA)
where:
Base-Base interactions energy: -406.401
where: short stacking energy: -266.996
Base-Backbone interact. energy: -3.122
local terms energy: -521.458928
where:
bonds (distance) C4'-P energy: -127.850
bonds (distance) P-C4' energy: -152.192
flat angles C4'-P-C4' energy: -150.834
flat angles P-C4'-P energy: -68.603
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -815.073815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.073815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.073815 (E_RNA)
where:
Base-Base interactions energy: -352.648
where: short stacking energy: -259.026
Base-Backbone interact. energy: -1.480
local terms energy: -461.034617
where:
bonds (distance) C4'-P energy: -137.614
bonds (distance) P-C4' energy: -137.561
flat angles C4'-P-C4' energy: -112.530
flat angles P-C4'-P energy: -63.319
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -709.823117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.823117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.823117 (E_RNA)
where:
Base-Base interactions energy: -302.417
where: short stacking energy: -200.830
Base-Backbone interact. energy: 0.780
local terms energy: -408.185707
where:
bonds (distance) C4'-P energy: -127.485
bonds (distance) P-C4' energy: -151.088
flat angles C4'-P-C4' energy: -103.918
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: 15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -706.888184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.888184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.888184 (E_RNA)
where:
Base-Base interactions energy: -305.763
where: short stacking energy: -185.198
Base-Backbone interact. energy: -4.052
local terms energy: -397.073001
where:
bonds (distance) C4'-P energy: -131.155
bonds (distance) P-C4' energy: -116.964
flat angles C4'-P-C4' energy: -101.578
flat angles P-C4'-P energy: -64.611
tors. eta vs tors. theta energy: 17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1937.494279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.494279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.494279 (E_RNA)
where:
Base-Base interactions energy: -1179.713
where: short stacking energy: -598.715
Base-Backbone interact. energy: -1.349
local terms energy: -756.431905
where:
bonds (distance) C4'-P energy: -162.488
bonds (distance) P-C4' energy: -152.127
flat angles C4'-P-C4' energy: -179.196
flat angles P-C4'-P energy: -105.843
tors. eta vs tors. theta energy: -156.777
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1691.310539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.310539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.310539 (E_RNA)
where:
Base-Base interactions energy: -990.618
where: short stacking energy: -557.637
Base-Backbone interact. energy: -1.488
local terms energy: -699.204467
where:
bonds (distance) C4'-P energy: -138.836
bonds (distance) P-C4' energy: -154.665
flat angles C4'-P-C4' energy: -168.332
flat angles P-C4'-P energy: -110.446
tors. eta vs tors. theta energy: -126.926
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: 19
Temperature: 1.000000
Total energy: -1570.855508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.855508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.855508 (E_RNA)
where:
Base-Base interactions energy: -878.405
where: short stacking energy: -498.083
Base-Backbone interact. energy: -4.457
local terms energy: -687.993492
where:
bonds (distance) C4'-P energy: -143.181
bonds (distance) P-C4' energy: -168.688
flat angles C4'-P-C4' energy: -178.460
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -99.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1397.474536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.474536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.474536 (E_RNA)
where:
Base-Base interactions energy: -723.569
where: short stacking energy: -458.427
Base-Backbone interact. energy: -1.183
local terms energy: -672.722875
where:
bonds (distance) C4'-P energy: -161.255
bonds (distance) P-C4' energy: -142.155
flat angles C4'-P-C4' energy: -162.517
flat angles P-C4'-P energy: -103.477
tors. eta vs tors. theta energy: -103.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1277.753839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.753839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.753839 (E_RNA)
where:
Base-Base interactions energy: -721.142
where: short stacking energy: -407.506
Base-Backbone interact. energy: -3.876
local terms energy: -552.736173
where:
bonds (distance) C4'-P energy: -132.025
bonds (distance) P-C4' energy: -135.148
flat angles C4'-P-C4' energy: -153.953
flat angles P-C4'-P energy: -89.863
tors. eta vs tors. theta energy: -41.747
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: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1249.883304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.883304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.883304 (E_RNA)
where:
Base-Base interactions energy: -681.644
where: short stacking energy: -367.602
Base-Backbone interact. energy: -2.293
local terms energy: -565.946581
where:
bonds (distance) C4'-P energy: -132.104
bonds (distance) P-C4' energy: -138.462
flat angles C4'-P-C4' energy: -151.805
flat angles P-C4'-P energy: -94.357
tors. eta vs tors. theta energy: -49.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1042.254903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.254903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.254903 (E_RNA)
where:
Base-Base interactions energy: -508.325
where: short stacking energy: -296.438
Base-Backbone interact. energy: 2.930
local terms energy: -536.859109
where:
bonds (distance) C4'-P energy: -130.984
bonds (distance) P-C4' energy: -136.300
flat angles C4'-P-C4' energy: -146.747
flat angles P-C4'-P energy: -76.503
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -868.260588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.260588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.260588 (E_RNA)
where:
Base-Base interactions energy: -363.943
where: short stacking energy: -235.872
Base-Backbone interact. energy: 4.544
local terms energy: -509.274698
where:
bonds (distance) C4'-P energy: -146.627
bonds (distance) P-C4' energy: -145.078
flat angles C4'-P-C4' energy: -128.303
flat angles P-C4'-P energy: -77.450
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.414 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -702.428202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.428202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.428202 (E_RNA)
where:
Base-Base interactions energy: -266.685
where: short stacking energy: -173.858
Base-Backbone interact. energy: -1.343
local terms energy: -434.400177
where:
bonds (distance) C4'-P energy: -134.955
bonds (distance) P-C4' energy: -142.641
flat angles C4'-P-C4' energy: -112.047
flat angles P-C4'-P energy: -69.729
tors. eta vs tors. theta energy: 24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -622.765978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.765978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.765978 (E_RNA)
where:
Base-Base interactions energy: -213.845
where: short stacking energy: -161.695
Base-Backbone interact. energy: -0.372
local terms energy: -408.549247
where:
bonds (distance) C4'-P energy: -141.824
bonds (distance) P-C4' energy: -132.602
flat angles C4'-P-C4' energy: -117.098
flat angles P-C4'-P energy: -60.132
tors. eta vs tors. theta energy: 43.107
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: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1955.821457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.821457 (E_RNA)
where:
Base-Base interactions energy: -1164.065
where: short stacking energy: -665.778
Base-Backbone interact. energy: -1.410
local terms energy: -790.345850
where:
bonds (distance) C4'-P energy: -153.830
bonds (distance) P-C4' energy: -165.373
flat angles C4'-P-C4' energy: -174.101
flat angles P-C4'-P energy: -119.540
tors. eta vs tors. theta energy: -177.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1717.919640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.919640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.919640 (E_RNA)
where:
Base-Base interactions energy: -981.062
where: short stacking energy: -575.800
Base-Backbone interact. energy: 0.216
local terms energy: -737.074060
where:
bonds (distance) C4'-P energy: -164.472
bonds (distance) P-C4' energy: -161.694
flat angles C4'-P-C4' energy: -154.559
flat angles P-C4'-P energy: -112.368
tors. eta vs tors. theta energy: -143.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1695.130525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.130525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.130525 (E_RNA)
where:
Base-Base interactions energy: -975.086
where: short stacking energy: -542.287
Base-Backbone interact. energy: -0.878
local terms energy: -719.165841
where:
bonds (distance) C4'-P energy: -155.121
bonds (distance) P-C4' energy: -163.860
flat angles C4'-P-C4' energy: -165.796
flat angles P-C4'-P energy: -105.769
tors. eta vs tors. theta energy: -128.621
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1387.418343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.418343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.418343 (E_RNA)
where:
Base-Base interactions energy: -730.684
where: short stacking energy: -419.990
Base-Backbone interact. energy: -3.249
local terms energy: -653.485070
where:
bonds (distance) C4'-P energy: -164.981
bonds (distance) P-C4' energy: -155.128
flat angles C4'-P-C4' energy: -142.670
flat angles P-C4'-P energy: -97.931
tors. eta vs tors. theta energy: -92.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1433.979781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.979781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.979781 (E_RNA)
where:
Base-Base interactions energy: -780.723
where: short stacking energy: -440.376
Base-Backbone interact. energy: -2.946
local terms energy: -650.310078
where:
bonds (distance) C4'-P energy: -153.975
bonds (distance) P-C4' energy: -170.471
flat angles C4'-P-C4' energy: -148.878
flat angles P-C4'-P energy: -96.399
tors. eta vs tors. theta energy: -80.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1252.091358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.091358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.091358 (E_RNA)
where:
Base-Base interactions energy: -696.924
where: short stacking energy: -368.504
Base-Backbone interact. energy: -2.106
local terms energy: -553.060369
where:
bonds (distance) C4'-P energy: -125.835
bonds (distance) P-C4' energy: -152.816
flat angles C4'-P-C4' energy: -121.149
flat angles P-C4'-P energy: -86.651
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: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1068.574427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.574427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.574427 (E_RNA)
where:
Base-Base interactions energy: -526.414
where: short stacking energy: -298.920
Base-Backbone interact. energy: 1.259
local terms energy: -543.419099
where:
bonds (distance) C4'-P energy: -131.754
bonds (distance) P-C4' energy: -161.524
flat angles C4'-P-C4' energy: -128.634
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -42.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -873.625052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.625052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.625052 (E_RNA)
where:
Base-Base interactions energy: -417.403
where: short stacking energy: -253.766
Base-Backbone interact. energy: -1.034
local terms energy: -455.187864
where:
bonds (distance) C4'-P energy: -117.324
bonds (distance) P-C4' energy: -137.372
flat angles C4'-P-C4' energy: -128.477
flat angles P-C4'-P energy: -72.099
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -688.409341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.409341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.409341 (E_RNA)
where:
Base-Base interactions energy: -282.137
where: short stacking energy: -197.186
Base-Backbone interact. energy: -0.579
local terms energy: -405.692722
where:
bonds (distance) C4'-P energy: -117.334
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -113.798
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: 30.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -678.023901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.023901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.023901 (E_RNA)
where:
Base-Base interactions energy: -266.554
where: short stacking energy: -194.810
Base-Backbone interact. energy: 3.854
local terms energy: -415.324597
where:
bonds (distance) C4'-P energy: -140.700
bonds (distance) P-C4' energy: -139.124
flat angles C4'-P-C4' energy: -96.914
flat angles P-C4'-P energy: -68.795
tors. eta vs tors. theta energy: 30.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1984.965914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.965914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.965914 (E_RNA)
where:
Base-Base interactions energy: -1190.673
where: short stacking energy: -668.209
Base-Backbone interact. energy: -2.554
local terms energy: -791.739193
where:
bonds (distance) C4'-P energy: -159.461
bonds (distance) P-C4' energy: -167.941
flat angles C4'-P-C4' energy: -173.726
flat angles P-C4'-P energy: -111.250
tors. eta vs tors. theta energy: -179.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1808.216005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.216005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.216005 (E_RNA)
where:
Base-Base interactions energy: -1072.415
where: short stacking energy: -574.349
Base-Backbone interact. energy: -2.763
local terms energy: -733.038236
where:
bonds (distance) C4'-P energy: -171.663
bonds (distance) P-C4' energy: -154.775
flat angles C4'-P-C4' energy: -166.671
flat angles P-C4'-P energy: -105.937
tors. eta vs tors. theta energy: -133.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1577.454238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.454238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.454238 (E_RNA)
where:
Base-Base interactions energy: -880.580
where: short stacking energy: -514.839
Base-Backbone interact. energy: -2.334
local terms energy: -694.540244
where:
bonds (distance) C4'-P energy: -153.158
bonds (distance) P-C4' energy: -173.456
flat angles C4'-P-C4' energy: -150.778
flat angles P-C4'-P energy: -90.915
tors. eta vs tors. theta energy: -126.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1514.009575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.009575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.009575 (E_RNA)
where:
Base-Base interactions energy: -840.029
where: short stacking energy: -471.987
Base-Backbone interact. energy: -2.778
local terms energy: -671.202920
where:
bonds (distance) C4'-P energy: -142.780
bonds (distance) P-C4' energy: -152.711
flat angles C4'-P-C4' energy: -155.522
flat angles P-C4'-P energy: -109.430
tors. eta vs tors. theta energy: -110.760
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: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1349.646560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.646560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.646560 (E_RNA)
where:
Base-Base interactions energy: -714.046
where: short stacking energy: -437.141
Base-Backbone interact. energy: -1.750
local terms energy: -633.851026
where:
bonds (distance) C4'-P energy: -149.642
bonds (distance) P-C4' energy: -164.265
flat angles C4'-P-C4' energy: -161.611
flat angles P-C4'-P energy: -73.276
tors. eta vs tors. theta energy: -85.056
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: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1294.791496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.791496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.791496 (E_RNA)
where:
Base-Base interactions energy: -736.930
where: short stacking energy: -396.816
Base-Backbone interact. energy: -1.274
local terms energy: -556.587403
where:
bonds (distance) C4'-P energy: -125.943
bonds (distance) P-C4' energy: -133.600
flat angles C4'-P-C4' energy: -137.188
flat angles P-C4'-P energy: -88.871
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: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -990.583971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.583971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.583971 (E_RNA)
where:
Base-Base interactions energy: -486.469
where: short stacking energy: -261.467
Base-Backbone interact. energy: -2.005
local terms energy: -502.110606
where:
bonds (distance) C4'-P energy: -142.037
bonds (distance) P-C4' energy: -138.475
flat angles C4'-P-C4' energy: -137.876
flat angles P-C4'-P energy: -54.217
tors. eta vs tors. theta energy: -29.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -952.103121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.103121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.103121 (E_RNA)
where:
Base-Base interactions energy: -470.042
where: short stacking energy: -220.216
Base-Backbone interact. energy: 0.851
local terms energy: -482.911896
where:
bonds (distance) C4'-P energy: -128.855
bonds (distance) P-C4' energy: -148.780
flat angles C4'-P-C4' energy: -131.861
flat angles P-C4'-P energy: -71.077
tors. eta vs tors. theta energy: -2.338
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -720.217981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.217981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.217981 (E_RNA)
where:
Base-Base interactions energy: -286.803
where: short stacking energy: -210.143
Base-Backbone interact. energy: -3.091
local terms energy: -430.324454
where:
bonds (distance) C4'-P energy: -126.610
bonds (distance) P-C4' energy: -129.123
flat angles C4'-P-C4' energy: -128.642
flat angles P-C4'-P energy: -61.716
tors. eta vs tors. theta energy: 15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -682.557415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.557415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.557415 (E_RNA)
where:
Base-Base interactions energy: -312.927
where: short stacking energy: -198.809
Base-Backbone interact. energy: 2.863
local terms energy: -372.492839
where:
bonds (distance) C4'-P energy: -115.898
bonds (distance) P-C4' energy: -135.076
flat angles C4'-P-C4' energy: -99.598
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: 32.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1960.937095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.937095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.937095 (E_RNA)
where:
Base-Base interactions energy: -1191.008
where: short stacking energy: -635.335
Base-Backbone interact. energy: -3.668
local terms energy: -766.261088
where:
bonds (distance) C4'-P energy: -168.177
bonds (distance) P-C4' energy: -154.241
flat angles C4'-P-C4' energy: -167.616
flat angles P-C4'-P energy: -106.904
tors. eta vs tors. theta energy: -169.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1839.671836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.671836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.671836 (E_RNA)
where:
Base-Base interactions energy: -1100.604
where: short stacking energy: -575.006
Base-Backbone interact. energy: -1.627
local terms energy: -737.440809
where:
bonds (distance) C4'-P energy: -172.044
bonds (distance) P-C4' energy: -146.649
flat angles C4'-P-C4' energy: -162.002
flat angles P-C4'-P energy: -105.432
tors. eta vs tors. theta energy: -151.314
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: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1590.298757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.298757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.298757 (E_RNA)
where:
Base-Base interactions energy: -887.239
where: short stacking energy: -517.443
Base-Backbone interact. energy: -0.920
local terms energy: -702.140070
where:
bonds (distance) C4'-P energy: -148.204
bonds (distance) P-C4' energy: -151.693
flat angles C4'-P-C4' energy: -167.960
flat angles P-C4'-P energy: -102.974
tors. eta vs tors. theta energy: -131.309
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: 22
Temperature: 1.050000
Total energy: -1520.647175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.647175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.647175 (E_RNA)
where:
Base-Base interactions energy: -870.238
where: short stacking energy: -476.941
Base-Backbone interact. energy: -4.967
local terms energy: -645.441806
where:
bonds (distance) C4'-P energy: -140.154
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -152.203
flat angles P-C4'-P energy: -100.498
tors. eta vs tors. theta energy: -104.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1383.322381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.322381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.322381 (E_RNA)
where:
Base-Base interactions energy: -755.087
where: short stacking energy: -389.942
Base-Backbone interact. energy: -1.762
local terms energy: -626.472560
where:
bonds (distance) C4'-P energy: -148.380
bonds (distance) P-C4' energy: -160.014
flat angles C4'-P-C4' energy: -156.458
flat angles P-C4'-P energy: -99.899
tors. eta vs tors. theta energy: -61.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1178.839434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.839434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.839434 (E_RNA)
where:
Base-Base interactions energy: -616.211
where: short stacking energy: -360.705
Base-Backbone interact. energy: -2.695
local terms energy: -559.933432
where:
bonds (distance) C4'-P energy: -146.845
bonds (distance) P-C4' energy: -142.664
flat angles C4'-P-C4' energy: -138.064
flat angles P-C4'-P energy: -77.746
tors. eta vs tors. theta energy: -54.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1039.883409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.883409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.883409 (E_RNA)
where:
Base-Base interactions energy: -523.270
where: short stacking energy: -322.768
Base-Backbone interact. energy: -0.371
local terms energy: -516.241748
where:
bonds (distance) C4'-P energy: -134.105
bonds (distance) P-C4' energy: -136.723
flat angles C4'-P-C4' energy: -131.376
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -39.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -998.086246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.086246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.086246 (E_RNA)
where:
Base-Base interactions energy: -515.629
where: short stacking energy: -301.050
Base-Backbone interact. energy: 4.464
local terms energy: -486.920965
where:
bonds (distance) C4'-P energy: -129.666
bonds (distance) P-C4' energy: -136.587
flat angles C4'-P-C4' energy: -117.664
flat angles P-C4'-P energy: -82.605
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -742.132222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.132222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.132222 (E_RNA)
where:
Base-Base interactions energy: -292.709
where: short stacking energy: -192.280
Base-Backbone interact. energy: 2.060
local terms energy: -451.670902
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -158.875
flat angles C4'-P-C4' energy: -116.621
flat angles P-C4'-P energy: -70.643
tors. eta vs tors. theta energy: 17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.187 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -754.005140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.005140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.005140 (E_RNA)
where:
Base-Base interactions energy: -284.173
where: short stacking energy: -191.297
Base-Backbone interact. energy: 5.003
local terms energy: -474.834779
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -128.207
flat angles C4'-P-C4' energy: -137.638
flat angles P-C4'-P energy: -89.872
tors. eta vs tors. theta energy: 18.986
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: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1985.667723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.667723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.667723 (E_RNA)
where:
Base-Base interactions energy: -1189.340
where: short stacking energy: -672.914
Base-Backbone interact. energy: 0.489
local terms energy: -796.817090
where:
bonds (distance) C4'-P energy: -163.556
bonds (distance) P-C4' energy: -170.894
flat angles C4'-P-C4' energy: -176.281
flat angles P-C4'-P energy: -102.076
tors. eta vs tors. theta energy: -184.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1820.179563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.179563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.179563 (E_RNA)
where:
Base-Base interactions energy: -1099.628
where: short stacking energy: -578.430
Base-Backbone interact. energy: -3.518
local terms energy: -717.033067
where:
bonds (distance) C4'-P energy: -161.248
bonds (distance) P-C4' energy: -142.113
flat angles C4'-P-C4' energy: -165.253
flat angles P-C4'-P energy: -114.905
tors. eta vs tors. theta energy: -133.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1655.569337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.569337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.569337 (E_RNA)
where:
Base-Base interactions energy: -978.905
where: short stacking energy: -578.787
Base-Backbone interact. energy: -0.522
local terms energy: -676.142045
where:
bonds (distance) C4'-P energy: -160.448
bonds (distance) P-C4' energy: -153.858
flat angles C4'-P-C4' energy: -137.917
flat angles P-C4'-P energy: -95.248
tors. eta vs tors. theta energy: -128.671
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: 23
Temperature: 1.050000
Total energy: -1546.257627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.257627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.257627 (E_RNA)
where:
Base-Base interactions energy: -898.144
where: short stacking energy: -476.719
Base-Backbone interact. energy: -1.354
local terms energy: -646.759953
where:
bonds (distance) C4'-P energy: -132.092
bonds (distance) P-C4' energy: -154.028
flat angles C4'-P-C4' energy: -166.756
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -105.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1470.892204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.892204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.892204 (E_RNA)
where:
Base-Base interactions energy: -842.797
where: short stacking energy: -438.030
Base-Backbone interact. energy: -1.968
local terms energy: -626.127910
where:
bonds (distance) C4'-P energy: -132.852
bonds (distance) P-C4' energy: -150.142
flat angles C4'-P-C4' energy: -158.789
flat angles P-C4'-P energy: -86.541
tors. eta vs tors. theta energy: -97.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1183.297725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.297725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.297725 (E_RNA)
where:
Base-Base interactions energy: -621.041
where: short stacking energy: -366.095
Base-Backbone interact. energy: -1.590
local terms energy: -560.666638
where:
bonds (distance) C4'-P energy: -140.270
bonds (distance) P-C4' energy: -149.093
flat angles C4'-P-C4' energy: -131.731
flat angles P-C4'-P energy: -75.337
tors. eta vs tors. theta energy: -64.235
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1071.056152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.056152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.056152 (E_RNA)
where:
Base-Base interactions energy: -540.553
where: short stacking energy: -304.415
Base-Backbone interact. energy: -0.352
local terms energy: -530.151534
where:
bonds (distance) C4'-P energy: -138.000
bonds (distance) P-C4' energy: -152.496
flat angles C4'-P-C4' energy: -137.182
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -20.987
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: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -901.345722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.345722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.345722 (E_RNA)
where:
Base-Base interactions energy: -435.298
where: short stacking energy: -301.423
Base-Backbone interact. energy: 3.465
local terms energy: -469.513001
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -136.828
flat angles C4'-P-C4' energy: -103.680
flat angles P-C4'-P energy: -75.482
tors. eta vs tors. theta energy: -29.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -770.860679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.860679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.860679 (E_RNA)
where:
Base-Base interactions energy: -332.816
where: short stacking energy: -202.329
Base-Backbone interact. energy: 2.145
local terms energy: -440.189224
where:
bonds (distance) C4'-P energy: -129.861
bonds (distance) P-C4' energy: -162.209
flat angles C4'-P-C4' energy: -107.702
flat angles P-C4'-P energy: -54.236
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: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -736.936492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.936492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.936492 (E_RNA)
where:
Base-Base interactions energy: -331.445
where: short stacking energy: -196.461
Base-Backbone interact. energy: -1.357
local terms energy: -404.135036
where:
bonds (distance) C4'-P energy: -129.338
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -104.271
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: 0.629
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: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2006.345559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.345559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.345559 (E_RNA)
where:
Base-Base interactions energy: -1227.501
where: short stacking energy: -651.527
Base-Backbone interact. energy: 2.560
local terms energy: -781.404771
where:
bonds (distance) C4'-P energy: -152.026
bonds (distance) P-C4' energy: -177.433
flat angles C4'-P-C4' energy: -170.716
flat angles P-C4'-P energy: -113.522
tors. eta vs tors. theta energy: -167.708
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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1851.564765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.564765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.564765 (E_RNA)
where:
Base-Base interactions energy: -1116.794
where: short stacking energy: -608.695
Base-Backbone interact. energy: -0.362
local terms energy: -734.409198
where:
bonds (distance) C4'-P energy: -147.945
bonds (distance) P-C4' energy: -168.343
flat angles C4'-P-C4' energy: -170.583
flat angles P-C4'-P energy: -103.042
tors. eta vs tors. theta energy: -144.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1641.375624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.375624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.375624 (E_RNA)
where:
Base-Base interactions energy: -977.935
where: short stacking energy: -541.576
Base-Backbone interact. energy: 0.306
local terms energy: -663.747139
where:
bonds (distance) C4'-P energy: -147.995
bonds (distance) P-C4' energy: -144.668
flat angles C4'-P-C4' energy: -142.107
flat angles P-C4'-P energy: -107.615
tors. eta vs tors. theta energy: -121.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1522.940197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.940197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.940197 (E_RNA)
where:
Base-Base interactions energy: -904.542
where: short stacking energy: -481.717
Base-Backbone interact. energy: -0.275
local terms energy: -618.123577
where:
bonds (distance) C4'-P energy: -142.854
bonds (distance) P-C4' energy: -139.473
flat angles C4'-P-C4' energy: -143.076
flat angles P-C4'-P energy: -100.609
tors. eta vs tors. theta energy: -92.112
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1581.679045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.679045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.679045 (E_RNA)
where:
Base-Base interactions energy: -916.468
where: short stacking energy: -483.766
Base-Backbone interact. energy: 1.043
local terms energy: -666.253721
where:
bonds (distance) C4'-P energy: -144.106
bonds (distance) P-C4' energy: -150.786
flat angles C4'-P-C4' energy: -156.824
flat angles P-C4'-P energy: -104.058
tors. eta vs tors. theta energy: -110.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1209.072122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.072122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.072122 (E_RNA)
where:
Base-Base interactions energy: -670.990
where: short stacking energy: -396.463
Base-Backbone interact. energy: 0.032
local terms energy: -538.114174
where:
bonds (distance) C4'-P energy: -143.046
bonds (distance) P-C4' energy: -124.886
flat angles C4'-P-C4' energy: -127.353
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -62.494
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1094.127793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.127793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.127793 (E_RNA)
where:
Base-Base interactions energy: -577.641
where: short stacking energy: -335.925
Base-Backbone interact. energy: -1.029
local terms energy: -515.457866
where:
bonds (distance) C4'-P energy: -127.106
bonds (distance) P-C4' energy: -148.553
flat angles C4'-P-C4' energy: -134.229
flat angles P-C4'-P energy: -52.590
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: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -781.508677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.508677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.508677 (E_RNA)
where:
Base-Base interactions energy: -331.208
where: short stacking energy: -227.507
Base-Backbone interact. energy: 0.872
local terms energy: -451.172337
where:
bonds (distance) C4'-P energy: -129.650
bonds (distance) P-C4' energy: -147.497
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: 2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -737.513309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.513309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.513309 (E_RNA)
where:
Base-Base interactions energy: -320.845
where: short stacking energy: -229.871
Base-Backbone interact. energy: -1.476
local terms energy: -415.191726
where:
bonds (distance) C4'-P energy: -110.526
bonds (distance) P-C4' energy: -130.703
flat angles C4'-P-C4' energy: -119.119
flat angles P-C4'-P energy: -61.081
tors. eta vs tors. theta energy: 6.237
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -718.585321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.585321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.585321 (E_RNA)
where:
Base-Base interactions energy: -313.467
where: short stacking energy: -214.246
Base-Backbone interact. energy: -0.628
local terms energy: -404.489690
where:
bonds (distance) C4'-P energy: -116.571
bonds (distance) P-C4' energy: -125.666
flat angles C4'-P-C4' energy: -105.342
flat angles P-C4'-P energy: -61.964
tors. eta vs tors. theta energy: 5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2111.628270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.628270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.628270 (E_RNA)
where:
Base-Base interactions energy: -1303.009
where: short stacking energy: -707.711
Base-Backbone interact. energy: 0.031
local terms energy: -808.650757
where:
bonds (distance) C4'-P energy: -147.664
bonds (distance) P-C4' energy: -155.675
flat angles C4'-P-C4' energy: -181.464
flat angles P-C4'-P energy: -122.201
tors. eta vs tors. theta energy: -201.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1883.855119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.855119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.855119 (E_RNA)
where:
Base-Base interactions energy: -1143.470
where: short stacking energy: -600.371
Base-Backbone interact. energy: -2.131
local terms energy: -738.254234
where:
bonds (distance) C4'-P energy: -143.190
bonds (distance) P-C4' energy: -158.578
flat angles C4'-P-C4' energy: -176.209
flat angles P-C4'-P energy: -107.123
tors. eta vs tors. theta energy: -153.155
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: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1687.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.041314 (E_RNA)
where:
Base-Base interactions energy: -990.714
where: short stacking energy: -541.331
Base-Backbone interact. energy: 0.214
local terms energy: -696.540967
where:
bonds (distance) C4'-P energy: -164.534
bonds (distance) P-C4' energy: -161.336
flat angles C4'-P-C4' energy: -160.004
flat angles P-C4'-P energy: -92.121
tors. eta vs tors. theta energy: -118.546
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: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1525.380679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.380679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.380679 (E_RNA)
where:
Base-Base interactions energy: -871.882
where: short stacking energy: -478.333
Base-Backbone interact. energy: -4.839
local terms energy: -648.659393
where:
bonds (distance) C4'-P energy: -133.526
bonds (distance) P-C4' energy: -154.194
flat angles C4'-P-C4' energy: -151.107
flat angles P-C4'-P energy: -96.571
tors. eta vs tors. theta energy: -113.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1501.859531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.859531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.859531 (E_RNA)
where:
Base-Base interactions energy: -868.299
where: short stacking energy: -450.729
Base-Backbone interact. energy: 1.869
local terms energy: -635.429462
where:
bonds (distance) C4'-P energy: -138.991
bonds (distance) P-C4' energy: -166.726
flat angles C4'-P-C4' energy: -142.373
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -101.365
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: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1083.395448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.395448 (E_RNA)
where:
Base-Base interactions energy: -531.971
where: short stacking energy: -344.014
Base-Backbone interact. energy: -1.929
local terms energy: -549.495363
where:
bonds (distance) C4'-P energy: -134.681
bonds (distance) P-C4' energy: -152.088
flat angles C4'-P-C4' energy: -125.369
flat angles P-C4'-P energy: -89.607
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1145.627547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.627547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.627547 (E_RNA)
where:
Base-Base interactions energy: -595.666
where: short stacking energy: -338.032
Base-Backbone interact. energy: 1.026
local terms energy: -550.987717
where:
bonds (distance) C4'-P energy: -138.688
bonds (distance) P-C4' energy: -149.770
flat angles C4'-P-C4' energy: -131.205
flat angles P-C4'-P energy: -91.815
tors. eta vs tors. theta energy: -39.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -826.386753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.386753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.386753 (E_RNA)
where:
Base-Base interactions energy: -339.885
where: short stacking energy: -199.901
Base-Backbone interact. energy: -1.247
local terms energy: -485.255614
where:
bonds (distance) C4'-P energy: -135.359
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -131.663
flat angles P-C4'-P energy: -72.950
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -772.111640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.111640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.111640 (E_RNA)
where:
Base-Base interactions energy: -347.678
where: short stacking energy: -202.878
Base-Backbone interact. energy: -0.623
local terms energy: -423.811145
where:
bonds (distance) C4'-P energy: -124.474
bonds (distance) P-C4' energy: -134.766
flat angles C4'-P-C4' energy: -110.934
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: 2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -786.396393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.396393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.396393 (E_RNA)
where:
Base-Base interactions energy: -368.599
where: short stacking energy: -244.723
Base-Backbone interact. energy: 0.922
local terms energy: -418.719657
where:
bonds (distance) C4'-P energy: -122.749
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -119.729
flat angles P-C4'-P energy: -67.143
tors. eta vs tors. theta energy: 7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2070.316602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.316602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.316602 (E_RNA)
where:
Base-Base interactions energy: -1282.154
where: short stacking energy: -687.180
Base-Backbone interact. energy: -1.857
local terms energy: -786.305314
where:
bonds (distance) C4'-P energy: -150.053
bonds (distance) P-C4' energy: -170.605
flat angles C4'-P-C4' energy: -176.927
flat angles P-C4'-P energy: -109.912
tors. eta vs tors. theta energy: -178.809
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: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1909.367079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.367079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.367079 (E_RNA)
where:
Base-Base interactions energy: -1138.644
where: short stacking energy: -583.434
Base-Backbone interact. energy: -2.233
local terms energy: -768.490240
where:
bonds (distance) C4'-P energy: -154.103
bonds (distance) P-C4' energy: -169.625
flat angles C4'-P-C4' energy: -179.243
flat angles P-C4'-P energy: -114.875
tors. eta vs tors. theta energy: -150.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1670.661638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.661638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.661638 (E_RNA)
where:
Base-Base interactions energy: -962.392
where: short stacking energy: -536.495
Base-Backbone interact. energy: -1.337
local terms energy: -706.932658
where:
bonds (distance) C4'-P energy: -149.116
bonds (distance) P-C4' energy: -165.630
flat angles C4'-P-C4' energy: -170.749
flat angles P-C4'-P energy: -94.813
tors. eta vs tors. theta energy: -126.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1558.548563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.548563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.548563 (E_RNA)
where:
Base-Base interactions energy: -912.487
where: short stacking energy: -497.542
Base-Backbone interact. energy: 2.708
local terms energy: -648.769862
where:
bonds (distance) C4'-P energy: -144.255
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -164.989
flat angles P-C4'-P energy: -83.842
tors. eta vs tors. theta energy: -124.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1568.133090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.133090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.133090 (E_RNA)
where:
Base-Base interactions energy: -938.651
where: short stacking energy: -462.766
Base-Backbone interact. energy: -1.604
local terms energy: -627.877749
where:
bonds (distance) C4'-P energy: -137.370
bonds (distance) P-C4' energy: -146.897
flat angles C4'-P-C4' energy: -153.617
flat angles P-C4'-P energy: -83.927
tors. eta vs tors. theta energy: -106.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1100.881170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.881170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.881170 (E_RNA)
where:
Base-Base interactions energy: -580.814
where: short stacking energy: -341.154
Base-Backbone interact. energy: -2.479
local terms energy: -517.588025
where:
bonds (distance) C4'-P energy: -115.985
bonds (distance) P-C4' energy: -144.545
flat angles C4'-P-C4' energy: -128.313
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -57.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1176.888427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.888427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.888427 (E_RNA)
where:
Base-Base interactions energy: -618.506
where: short stacking energy: -344.929
Base-Backbone interact. energy: 4.006
local terms energy: -562.388226
where:
bonds (distance) C4'-P energy: -137.725
bonds (distance) P-C4' energy: -136.092
flat angles C4'-P-C4' energy: -148.983
flat angles P-C4'-P energy: -84.266
tors. eta vs tors. theta energy: -55.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -813.308649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.308649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.308649 (E_RNA)
where:
Base-Base interactions energy: -353.812
where: short stacking energy: -223.893
Base-Backbone interact. energy: -1.717
local terms energy: -457.778754
where:
bonds (distance) C4'-P energy: -138.942
bonds (distance) P-C4' energy: -135.992
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: 8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -815.905547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.905547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.905547 (E_RNA)
where:
Base-Base interactions energy: -365.900
where: short stacking energy: -218.812
Base-Backbone interact. energy: 7.161
local terms energy: -457.166891
where:
bonds (distance) C4'-P energy: -133.341
bonds (distance) P-C4' energy: -131.025
flat angles C4'-P-C4' energy: -120.986
flat angles P-C4'-P energy: -75.102
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -730.017191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.017191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.017191 (E_RNA)
where:
Base-Base interactions energy: -266.370
where: short stacking energy: -175.972
Base-Backbone interact. energy: 5.244
local terms energy: -468.891235
where:
bonds (distance) C4'-P energy: -147.835
bonds (distance) P-C4' energy: -143.267
flat angles C4'-P-C4' energy: -119.039
flat angles P-C4'-P energy: -82.367
tors. eta vs tors. theta energy: 23.617
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2059.716280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.716280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.716280 (E_RNA)
where:
Base-Base interactions energy: -1266.157
where: short stacking energy: -661.092
Base-Backbone interact. energy: 1.935
local terms energy: -795.493865
where:
bonds (distance) C4'-P energy: -149.582
bonds (distance) P-C4' energy: -175.333
flat angles C4'-P-C4' energy: -186.102
flat angles P-C4'-P energy: -106.830
tors. eta vs tors. theta energy: -177.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1941.045353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.045353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.045353 (E_RNA)
where:
Base-Base interactions energy: -1178.592
where: short stacking energy: -588.954
Base-Backbone interact. energy: -3.626
local terms energy: -758.827421
where:
bonds (distance) C4'-P energy: -157.530
bonds (distance) P-C4' energy: -165.758
flat angles C4'-P-C4' energy: -165.410
flat angles P-C4'-P energy: -121.201
tors. eta vs tors. theta energy: -148.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1691.017100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.017100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.017100 (E_RNA)
where:
Base-Base interactions energy: -972.627
where: short stacking energy: -510.942
Base-Backbone interact. energy: -3.904
local terms energy: -714.486457
where:
bonds (distance) C4'-P energy: -163.629
bonds (distance) P-C4' energy: -168.278
flat angles C4'-P-C4' energy: -162.175
flat angles P-C4'-P energy: -100.592
tors. eta vs tors. theta energy: -119.812
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: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1710.130415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.130415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.130415 (E_RNA)
where:
Base-Base interactions energy: -1028.307
where: short stacking energy: -498.242
Base-Backbone interact. energy: 0.895
local terms energy: -682.718277
where:
bonds (distance) C4'-P energy: -153.324
bonds (distance) P-C4' energy: -152.985
flat angles C4'-P-C4' energy: -177.276
flat angles P-C4'-P energy: -91.782
tors. eta vs tors. theta energy: -107.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1465.463215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.463215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.463215 (E_RNA)
where:
Base-Base interactions energy: -837.353
where: short stacking energy: -441.209
Base-Backbone interact. energy: -2.780
local terms energy: -625.330220
where:
bonds (distance) C4'-P energy: -156.336
bonds (distance) P-C4' energy: -154.514
flat angles C4'-P-C4' energy: -136.288
flat angles P-C4'-P energy: -78.723
tors. eta vs tors. theta energy: -99.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1136.645413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.645413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.645413 (E_RNA)
where:
Base-Base interactions energy: -587.533
where: short stacking energy: -367.695
Base-Backbone interact. energy: -3.115
local terms energy: -545.996658
where:
bonds (distance) C4'-P energy: -127.849
bonds (distance) P-C4' energy: -139.096
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -72.580
tors. eta vs tors. theta energy: -62.844
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: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1155.474450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.474450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.474450 (E_RNA)
where:
Base-Base interactions energy: -622.934
where: short stacking energy: -342.028
Base-Backbone interact. energy: -1.592
local terms energy: -530.949007
where:
bonds (distance) C4'-P energy: -120.745
bonds (distance) P-C4' energy: -136.508
flat angles C4'-P-C4' energy: -135.750
flat angles P-C4'-P energy: -77.124
tors. eta vs tors. theta energy: -60.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -846.191144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.191144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.191144 (E_RNA)
where:
Base-Base interactions energy: -363.892
where: short stacking energy: -230.094
Base-Backbone interact. energy: 2.074
local terms energy: -484.373092
where:
bonds (distance) C4'-P energy: -131.028
bonds (distance) P-C4' energy: -155.444
flat angles C4'-P-C4' energy: -116.462
flat angles P-C4'-P energy: -75.170
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -884.350867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.350867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.350867 (E_RNA)
where:
Base-Base interactions energy: -432.450
where: short stacking energy: -208.893
Base-Backbone interact. energy: -2.883
local terms energy: -449.017693
where:
bonds (distance) C4'-P energy: -134.579
bonds (distance) P-C4' energy: -134.158
flat angles C4'-P-C4' energy: -122.016
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -808.249151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.249151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.249151 (E_RNA)
where:
Base-Base interactions energy: -380.180
where: short stacking energy: -267.778
Base-Backbone interact. energy: -0.285
local terms energy: -427.783632
where:
bonds (distance) C4'-P energy: -126.777
bonds (distance) P-C4' energy: -135.766
flat angles C4'-P-C4' energy: -95.438
flat angles P-C4'-P energy: -63.157
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: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1995.645936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.645936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.645936 (E_RNA)
where:
Base-Base interactions energy: -1203.478
where: short stacking energy: -630.193
Base-Backbone interact. energy: -6.535
local terms energy: -785.632591
where:
bonds (distance) C4'-P energy: -155.065
bonds (distance) P-C4' energy: -177.306
flat angles C4'-P-C4' energy: -181.515
flat angles P-C4'-P energy: -97.549
tors. eta vs tors. theta energy: -174.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1920.407683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.407683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.407683 (E_RNA)
where:
Base-Base interactions energy: -1168.146
where: short stacking energy: -589.877
Base-Backbone interact. energy: -1.201
local terms energy: -751.060522
where:
bonds (distance) C4'-P energy: -162.642
bonds (distance) P-C4' energy: -173.280
flat angles C4'-P-C4' energy: -169.356
flat angles P-C4'-P energy: -104.198
tors. eta vs tors. theta energy: -141.585
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1700.110163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.110163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.110163 (E_RNA)
where:
Base-Base interactions energy: -986.156
where: short stacking energy: -530.965
Base-Backbone interact. energy: -0.461
local terms energy: -713.493525
where:
bonds (distance) C4'-P energy: -163.863
bonds (distance) P-C4' energy: -161.808
flat angles C4'-P-C4' energy: -167.053
flat angles P-C4'-P energy: -100.654
tors. eta vs tors. theta energy: -120.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1725.715936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.715936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.715936 (E_RNA)
where:
Base-Base interactions energy: -1052.959
where: short stacking energy: -524.529
Base-Backbone interact. energy: -1.254
local terms energy: -671.503384
where:
bonds (distance) C4'-P energy: -144.039
bonds (distance) P-C4' energy: -157.685
flat angles C4'-P-C4' energy: -156.594
flat angles P-C4'-P energy: -82.856
tors. eta vs tors. theta energy: -130.330
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: 28
Temperature: 1.100000
Total energy: -1488.554255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.554255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.554255 (E_RNA)
where:
Base-Base interactions energy: -884.890
where: short stacking energy: -453.643
Base-Backbone interact. energy: 3.247
local terms energy: -606.911312
where:
bonds (distance) C4'-P energy: -129.238
bonds (distance) P-C4' energy: -159.346
flat angles C4'-P-C4' energy: -136.982
flat angles P-C4'-P energy: -94.973
tors. eta vs tors. theta energy: -86.372
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1149.157463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.157463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.157463 (E_RNA)
where:
Base-Base interactions energy: -581.448
where: short stacking energy: -287.869
Base-Backbone interact. energy: 0.024
local terms energy: -567.733677
where:
bonds (distance) C4'-P energy: -131.553
bonds (distance) P-C4' energy: -161.034
flat angles C4'-P-C4' energy: -157.080
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1110.211590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.211590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.211590 (E_RNA)
where:
Base-Base interactions energy: -552.292
where: short stacking energy: -320.111
Base-Backbone interact. energy: -3.577
local terms energy: -554.342405
where:
bonds (distance) C4'-P energy: -122.474
bonds (distance) P-C4' energy: -145.416
flat angles C4'-P-C4' energy: -135.716
flat angles P-C4'-P energy: -94.239
tors. eta vs tors. theta energy: -56.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -864.377021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.377021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.377021 (E_RNA)
where:
Base-Base interactions energy: -396.975
where: short stacking energy: -246.905
Base-Backbone interact. energy: -1.969
local terms energy: -465.433155
where:
bonds (distance) C4'-P energy: -134.253
bonds (distance) P-C4' energy: -144.592
flat angles C4'-P-C4' energy: -110.731
flat angles P-C4'-P energy: -67.130
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -913.164586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.164586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.164586 (E_RNA)
where:
Base-Base interactions energy: -449.747
where: short stacking energy: -290.664
Base-Backbone interact. energy: 1.686
local terms energy: -465.103002
where:
bonds (distance) C4'-P energy: -130.045
bonds (distance) P-C4' energy: -143.791
flat angles C4'-P-C4' energy: -115.662
flat angles P-C4'-P energy: -65.199
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -710.004056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.004056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.004056 (E_RNA)
where:
Base-Base interactions energy: -304.472
where: short stacking energy: -186.706
Base-Backbone interact. energy: -0.523
local terms energy: -405.009884
where:
bonds (distance) C4'-P energy: -134.586
bonds (distance) P-C4' energy: -136.282
flat angles C4'-P-C4' energy: -95.530
flat angles P-C4'-P energy: -71.336
tors. eta vs tors. theta energy: 32.724
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: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2033.577692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.577692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.577692 (E_RNA)
where:
Base-Base interactions energy: -1241.406
where: short stacking energy: -635.983
Base-Backbone interact. energy: -4.085
local terms energy: -788.086307
where:
bonds (distance) C4'-P energy: -165.523
bonds (distance) P-C4' energy: -155.821
flat angles C4'-P-C4' energy: -178.201
flat angles P-C4'-P energy: -130.241
tors. eta vs tors. theta energy: -158.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1905.144074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.144074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.144074 (E_RNA)
where:
Base-Base interactions energy: -1153.307
where: short stacking energy: -587.123
Base-Backbone interact. energy: -3.119
local terms energy: -748.717791
where:
bonds (distance) C4'-P energy: -164.248
bonds (distance) P-C4' energy: -166.767
flat angles C4'-P-C4' energy: -159.819
flat angles P-C4'-P energy: -110.777
tors. eta vs tors. theta energy: -147.107
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1745.300041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.300041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.300041 (E_RNA)
where:
Base-Base interactions energy: -1052.106
where: short stacking energy: -546.807
Base-Backbone interact. energy: -4.052
local terms energy: -689.142158
where:
bonds (distance) C4'-P energy: -131.733
bonds (distance) P-C4' energy: -158.697
flat angles C4'-P-C4' energy: -174.307
flat angles P-C4'-P energy: -109.880
tors. eta vs tors. theta energy: -114.525
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: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1777.163091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.163091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.163091 (E_RNA)
where:
Base-Base interactions energy: -1085.231
where: short stacking energy: -562.198
Base-Backbone interact. energy: -2.060
local terms energy: -689.872117
where:
bonds (distance) C4'-P energy: -161.923
bonds (distance) P-C4' energy: -128.427
flat angles C4'-P-C4' energy: -162.371
flat angles P-C4'-P energy: -105.684
tors. eta vs tors. theta energy: -131.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1527.975686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.975686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.975686 (E_RNA)
where:
Base-Base interactions energy: -911.275
where: short stacking energy: -467.353
Base-Backbone interact. energy: -2.534
local terms energy: -614.166434
where:
bonds (distance) C4'-P energy: -139.670
bonds (distance) P-C4' energy: -140.356
flat angles C4'-P-C4' energy: -145.863
flat angles P-C4'-P energy: -95.080
tors. eta vs tors. theta energy: -93.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1249.696689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.696689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.696689 (E_RNA)
where:
Base-Base interactions energy: -683.920
where: short stacking energy: -364.417
Base-Backbone interact. energy: -1.095
local terms energy: -564.682109
where:
bonds (distance) C4'-P energy: -128.597
bonds (distance) P-C4' energy: -150.042
flat angles C4'-P-C4' energy: -126.848
flat angles P-C4'-P energy: -101.061
tors. eta vs tors. theta energy: -58.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1119.888648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.888648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.888648 (E_RNA)
where:
Base-Base interactions energy: -597.635
where: short stacking energy: -305.730
Base-Backbone interact. energy: -3.386
local terms energy: -518.867995
where:
bonds (distance) C4'-P energy: -118.604
bonds (distance) P-C4' energy: -163.549
flat angles C4'-P-C4' energy: -126.572
flat angles P-C4'-P energy: -82.510
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: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -952.515162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.515162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.515162 (E_RNA)
where:
Base-Base interactions energy: -475.867
where: short stacking energy: -271.034
Base-Backbone interact. energy: -2.223
local terms energy: -474.425440
where:
bonds (distance) C4'-P energy: -134.420
bonds (distance) P-C4' energy: -142.404
flat angles C4'-P-C4' energy: -125.054
flat angles P-C4'-P energy: -59.365
tors. eta vs tors. theta energy: -13.183
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -905.509936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.509936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.509936 (E_RNA)
where:
Base-Base interactions energy: -432.069
where: short stacking energy: -229.131
Base-Backbone interact. energy: -1.232
local terms energy: -472.208358
where:
bonds (distance) C4'-P energy: -145.862
bonds (distance) P-C4' energy: -132.497
flat angles C4'-P-C4' energy: -110.794
flat angles P-C4'-P energy: -81.447
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -718.198456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.198456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.198456 (E_RNA)
where:
Base-Base interactions energy: -298.021
where: short stacking energy: -208.496
Base-Backbone interact. energy: -0.523
local terms energy: -419.653598
where:
bonds (distance) C4'-P energy: -94.071
bonds (distance) P-C4' energy: -144.585
flat angles C4'-P-C4' energy: -109.775
flat angles P-C4'-P energy: -68.517
tors. eta vs tors. theta energy: -2.706
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: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2076.074424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.074424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.074424 (E_RNA)
where:
Base-Base interactions energy: -1274.173
where: short stacking energy: -667.436
Base-Backbone interact. energy: -1.249
local terms energy: -800.653370
where:
bonds (distance) C4'-P energy: -152.826
bonds (distance) P-C4' energy: -160.604
flat angles C4'-P-C4' energy: -180.836
flat angles P-C4'-P energy: -112.202
tors. eta vs tors. theta energy: -194.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1932.782624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.782624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.782624 (E_RNA)
where:
Base-Base interactions energy: -1189.325
where: short stacking energy: -617.720
Base-Backbone interact. energy: 1.547
local terms energy: -745.003914
where:
bonds (distance) C4'-P energy: -164.003
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -174.961
flat angles P-C4'-P energy: -122.847
tors. eta vs tors. theta energy: -142.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1919.281277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.281277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.281277 (E_RNA)
where:
Base-Base interactions energy: -1183.545
where: short stacking energy: -555.421
Base-Backbone interact. energy: -2.038
local terms energy: -733.697963
where:
bonds (distance) C4'-P energy: -150.486
bonds (distance) P-C4' energy: -166.010
flat angles C4'-P-C4' energy: -161.554
flat angles P-C4'-P energy: -105.694
tors. eta vs tors. theta energy: -149.953
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1673.615073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.615073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.615073 (E_RNA)
where:
Base-Base interactions energy: -988.498
where: short stacking energy: -499.797
Base-Backbone interact. energy: -0.495
local terms energy: -684.621511
where:
bonds (distance) C4'-P energy: -153.754
bonds (distance) P-C4' energy: -156.562
flat angles C4'-P-C4' energy: -154.471
flat angles P-C4'-P energy: -109.501
tors. eta vs tors. theta energy: -110.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1566.879519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.879519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.879519 (E_RNA)
where:
Base-Base interactions energy: -916.879
where: short stacking energy: -451.701
Base-Backbone interact. energy: -2.744
local terms energy: -647.257081
where:
bonds (distance) C4'-P energy: -141.422
bonds (distance) P-C4' energy: -156.565
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -103.221
tors. eta vs tors. theta energy: -98.778
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: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1287.265931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.265931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.265931 (E_RNA)
where:
Base-Base interactions energy: -711.334
where: short stacking energy: -391.338
Base-Backbone interact. energy: 1.165
local terms energy: -577.096009
where:
bonds (distance) C4'-P energy: -136.922
bonds (distance) P-C4' energy: -152.672
flat angles C4'-P-C4' energy: -146.455
flat angles P-C4'-P energy: -79.334
tors. eta vs tors. theta energy: -61.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1187.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.376397 (E_RNA)
where:
Base-Base interactions energy: -669.206
where: short stacking energy: -353.976
Base-Backbone interact. energy: 4.210
local terms energy: -522.380369
where:
bonds (distance) C4'-P energy: -130.548
bonds (distance) P-C4' energy: -142.518
flat angles C4'-P-C4' energy: -113.571
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -61.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -931.266931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.266931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.266931 (E_RNA)
where:
Base-Base interactions energy: -484.468
where: short stacking energy: -271.083
Base-Backbone interact. energy: 8.305
local terms energy: -455.103484
where:
bonds (distance) C4'-P energy: -126.195
bonds (distance) P-C4' energy: -136.637
flat angles C4'-P-C4' energy: -128.570
flat angles P-C4'-P energy: -63.850
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1020.395455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.395455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.395455 (E_RNA)
where:
Base-Base interactions energy: -554.038
where: short stacking energy: -272.394
Base-Backbone interact. energy: 6.101
local terms energy: -472.458497
where:
bonds (distance) C4'-P energy: -125.892
bonds (distance) P-C4' energy: -150.053
flat angles C4'-P-C4' energy: -133.032
flat angles P-C4'-P energy: -51.148
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -668.400496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.400496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.400496 (E_RNA)
where:
Base-Base interactions energy: -262.689
where: short stacking energy: -187.548
Base-Backbone interact. energy: 6.501
local terms energy: -412.212010
where:
bonds (distance) C4'-P energy: -128.797
bonds (distance) P-C4' energy: -135.099
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -79.937
tors. eta vs tors. theta energy: 32.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2093.839636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.839636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.839636 (E_RNA)
where:
Base-Base interactions energy: -1271.395
where: short stacking energy: -672.508
Base-Backbone interact. energy: -2.465
local terms energy: -819.979581
where:
bonds (distance) C4'-P energy: -161.892
bonds (distance) P-C4' energy: -179.323
flat angles C4'-P-C4' energy: -168.647
flat angles P-C4'-P energy: -115.541
tors. eta vs tors. theta energy: -194.577
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2043.105914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.105914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.105914 (E_RNA)
where:
Base-Base interactions energy: -1282.131
where: short stacking energy: -643.791
Base-Backbone interact. energy: -2.328
local terms energy: -758.647023
where:
bonds (distance) C4'-P energy: -150.173
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -157.457
flat angles P-C4'-P energy: -124.650
tors. eta vs tors. theta energy: -164.649
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1844.514813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.514813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.514813 (E_RNA)
where:
Base-Base interactions energy: -1133.161
where: short stacking energy: -575.610
Base-Backbone interact. energy: 1.693
local terms energy: -713.046472
where:
bonds (distance) C4'-P energy: -152.559
bonds (distance) P-C4' energy: -154.968
flat angles C4'-P-C4' energy: -156.549
flat angles P-C4'-P energy: -101.904
tors. eta vs tors. theta energy: -147.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1642.018031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.018031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.018031 (E_RNA)
where:
Base-Base interactions energy: -970.189
where: short stacking energy: -464.367
Base-Backbone interact. energy: -1.987
local terms energy: -669.842306
where:
bonds (distance) C4'-P energy: -149.933
bonds (distance) P-C4' energy: -163.068
flat angles C4'-P-C4' energy: -142.411
flat angles P-C4'-P energy: -101.524
tors. eta vs tors. theta energy: -112.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1630.281306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.281306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.281306 (E_RNA)
where:
Base-Base interactions energy: -960.770
where: short stacking energy: -482.534
Base-Backbone interact. energy: -2.397
local terms energy: -667.113856
where:
bonds (distance) C4'-P energy: -134.900
bonds (distance) P-C4' energy: -148.274
flat angles C4'-P-C4' energy: -164.965
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -119.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1260.103728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.103728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.103728 (E_RNA)
where:
Base-Base interactions energy: -714.689
where: short stacking energy: -374.447
Base-Backbone interact. energy: -0.867
local terms energy: -544.547390
where:
bonds (distance) C4'-P energy: -119.823
bonds (distance) P-C4' energy: -138.164
flat angles C4'-P-C4' energy: -134.696
flat angles P-C4'-P energy: -99.690
tors. eta vs tors. theta energy: -52.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1215.752346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.752346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.752346 (E_RNA)
where:
Base-Base interactions energy: -673.252
where: short stacking energy: -381.799
Base-Backbone interact. energy: -1.994
local terms energy: -540.506573
where:
bonds (distance) C4'-P energy: -144.357
bonds (distance) P-C4' energy: -138.040
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -60.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1106.931771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.931771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.931771 (E_RNA)
where:
Base-Base interactions energy: -594.659
where: short stacking energy: -314.573
Base-Backbone interact. energy: 3.281
local terms energy: -515.553266
where:
bonds (distance) C4'-P energy: -140.108
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -125.380
flat angles P-C4'-P energy: -73.103
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: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -877.922935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.922935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.922935 (E_RNA)
where:
Base-Base interactions energy: -430.091
where: short stacking energy: -244.110
Base-Backbone interact. energy: 1.453
local terms energy: -449.284983
where:
bonds (distance) C4'-P energy: -123.769
bonds (distance) P-C4' energy: -140.167
flat angles C4'-P-C4' energy: -107.188
flat angles P-C4'-P energy: -85.968
tors. eta vs tors. theta energy: 7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -646.848945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.848945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.848945 (E_RNA)
where:
Base-Base interactions energy: -239.158
where: short stacking energy: -168.650
Base-Backbone interact. energy: 7.378
local terms energy: -415.069368
where:
bonds (distance) C4'-P energy: -109.179
bonds (distance) P-C4' energy: -134.273
flat angles C4'-P-C4' energy: -126.558
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: 25.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2056.053269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.053269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.053269 (E_RNA)
where:
Base-Base interactions energy: -1259.454
where: short stacking energy: -649.867
Base-Backbone interact. energy: 0.425
local terms energy: -797.024103
where:
bonds (distance) C4'-P energy: -163.718
bonds (distance) P-C4' energy: -174.899
flat angles C4'-P-C4' energy: -185.723
flat angles P-C4'-P energy: -113.102
tors. eta vs tors. theta energy: -159.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2091.043106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.043106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.043106 (E_RNA)
where:
Base-Base interactions energy: -1332.905
where: short stacking energy: -660.703
Base-Backbone interact. energy: -0.702
local terms energy: -757.435629
where:
bonds (distance) C4'-P energy: -152.405
bonds (distance) P-C4' energy: -163.961
flat angles C4'-P-C4' energy: -160.166
flat angles P-C4'-P energy: -103.692
tors. eta vs tors. theta energy: -177.211
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: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1865.040114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.040114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.040114 (E_RNA)
where:
Base-Base interactions energy: -1118.998
where: short stacking energy: -601.108
Base-Backbone interact. energy: 1.271
local terms energy: -747.313457
where:
bonds (distance) C4'-P energy: -157.201
bonds (distance) P-C4' energy: -161.844
flat angles C4'-P-C4' energy: -160.365
flat angles P-C4'-P energy: -105.400
tors. eta vs tors. theta energy: -162.503
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1722.887669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.887669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.887669 (E_RNA)
where:
Base-Base interactions energy: -1016.774
where: short stacking energy: -499.886
Base-Backbone interact. energy: -1.064
local terms energy: -705.049458
where:
bonds (distance) C4'-P energy: -146.378
bonds (distance) P-C4' energy: -166.651
flat angles C4'-P-C4' energy: -150.380
flat angles P-C4'-P energy: -113.149
tors. eta vs tors. theta energy: -128.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1606.854075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.854075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.854075 (E_RNA)
where:
Base-Base interactions energy: -956.380
where: short stacking energy: -499.644
Base-Backbone interact. energy: -2.942
local terms energy: -647.531875
where:
bonds (distance) C4'-P energy: -155.106
bonds (distance) P-C4' energy: -134.210
flat angles C4'-P-C4' energy: -129.631
flat angles P-C4'-P energy: -106.391
tors. eta vs tors. theta energy: -122.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1236.674790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.674790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.674790 (E_RNA)
where:
Base-Base interactions energy: -667.756
where: short stacking energy: -375.444
Base-Backbone interact. energy: 1.905
local terms energy: -570.823354
where:
bonds (distance) C4'-P energy: -136.506
bonds (distance) P-C4' energy: -146.901
flat angles C4'-P-C4' energy: -144.534
flat angles P-C4'-P energy: -86.389
tors. eta vs tors. theta energy: -56.494
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1175.779644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.779644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.779644 (E_RNA)
where:
Base-Base interactions energy: -618.558
where: short stacking energy: -365.737
Base-Backbone interact. energy: 1.833
local terms energy: -559.054703
where:
bonds (distance) C4'-P energy: -124.008
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -145.348
flat angles P-C4'-P energy: -77.669
tors. eta vs tors. theta energy: -53.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1053.626687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.626687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.626687 (E_RNA)
where:
Base-Base interactions energy: -533.617
where: short stacking energy: -292.937
Base-Backbone interact. energy: -2.077
local terms energy: -517.932590
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -123.370
flat angles P-C4'-P energy: -78.922
tors. eta vs tors. theta energy: -32.504
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -735.398402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.398402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.398402 (E_RNA)
where:
Base-Base interactions energy: -294.259
where: short stacking energy: -213.331
Base-Backbone interact. energy: -5.088
local terms energy: -436.051347
where:
bonds (distance) C4'-P energy: -132.558
bonds (distance) P-C4' energy: -140.374
flat angles C4'-P-C4' energy: -116.074
flat angles P-C4'-P energy: -69.503
tors. eta vs tors. theta energy: 22.458
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: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -662.511890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.511890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.511890 (E_RNA)
where:
Base-Base interactions energy: -237.115
where: short stacking energy: -156.646
Base-Backbone interact. energy: 1.201
local terms energy: -426.597947
where:
bonds (distance) C4'-P energy: -132.420
bonds (distance) P-C4' energy: -139.763
flat angles C4'-P-C4' energy: -123.130
flat angles P-C4'-P energy: -66.935
tors. eta vs tors. theta energy: 35.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2107.409284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.409284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.409284 (E_RNA)
where:
Base-Base interactions energy: -1317.103
where: short stacking energy: -657.764
Base-Backbone interact. energy: 0.628
local terms energy: -790.934662
where:
bonds (distance) C4'-P energy: -150.783
bonds (distance) P-C4' energy: -167.209
flat angles C4'-P-C4' energy: -171.222
flat angles P-C4'-P energy: -121.672
tors. eta vs tors. theta energy: -180.049
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: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2081.574038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.574038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.574038 (E_RNA)
where:
Base-Base interactions energy: -1308.637
where: short stacking energy: -638.447
Base-Backbone interact. energy: -2.580
local terms energy: -770.357299
where:
bonds (distance) C4'-P energy: -147.806
bonds (distance) P-C4' energy: -160.666
flat angles C4'-P-C4' energy: -176.553
flat angles P-C4'-P energy: -110.866
tors. eta vs tors. theta energy: -174.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1832.144056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.144056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.144056 (E_RNA)
where:
Base-Base interactions energy: -1103.212
where: short stacking energy: -562.578
Base-Backbone interact. energy: -4.783
local terms energy: -724.148754
where:
bonds (distance) C4'-P energy: -167.570
bonds (distance) P-C4' energy: -164.071
flat angles C4'-P-C4' energy: -161.571
flat angles P-C4'-P energy: -113.117
tors. eta vs tors. theta energy: -117.820
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1695.265011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.265011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.265011 (E_RNA)
where:
Base-Base interactions energy: -1017.690
where: short stacking energy: -523.066
Base-Backbone interact. energy: 4.299
local terms energy: -681.873323
where:
bonds (distance) C4'-P energy: -140.477
bonds (distance) P-C4' energy: -159.191
flat angles C4'-P-C4' energy: -157.810
flat angles P-C4'-P energy: -91.540
tors. eta vs tors. theta energy: -132.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1553.902789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.902789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.902789 (E_RNA)
where:
Base-Base interactions energy: -886.063
where: short stacking energy: -472.322
Base-Backbone interact. energy: -2.773
local terms energy: -665.067259
where:
bonds (distance) C4'-P energy: -132.694
bonds (distance) P-C4' energy: -154.717
flat angles C4'-P-C4' energy: -155.500
flat angles P-C4'-P energy: -99.509
tors. eta vs tors. theta energy: -122.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1314.525987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.525987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.525987 (E_RNA)
where:
Base-Base interactions energy: -739.780
where: short stacking energy: -412.274
Base-Backbone interact. energy: -0.124
local terms energy: -574.621951
where:
bonds (distance) C4'-P energy: -147.502
bonds (distance) P-C4' energy: -140.890
flat angles C4'-P-C4' energy: -134.896
flat angles P-C4'-P energy: -81.683
tors. eta vs tors. theta energy: -69.652
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1207.155738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.155738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.155738 (E_RNA)
where:
Base-Base interactions energy: -671.844
where: short stacking energy: -354.409
Base-Backbone interact. energy: -4.695
local terms energy: -530.616211
where:
bonds (distance) C4'-P energy: -143.188
bonds (distance) P-C4' energy: -131.229
flat angles C4'-P-C4' energy: -152.746
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -46.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1059.070188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.070188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.070188 (E_RNA)
where:
Base-Base interactions energy: -539.108
where: short stacking energy: -305.862
Base-Backbone interact. energy: -2.118
local terms energy: -517.843524
where:
bonds (distance) C4'-P energy: -130.816
bonds (distance) P-C4' energy: -140.975
flat angles C4'-P-C4' energy: -136.459
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -41.696
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: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -704.838174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.838174 (E_RNA)
where:
Base-Base interactions energy: -279.965
where: short stacking energy: -190.994
Base-Backbone interact. energy: -0.551
local terms energy: -424.322447
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -115.673
flat angles C4'-P-C4' energy: -108.320
flat angles P-C4'-P energy: -69.463
tors. eta vs tors. theta energy: 7.712
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: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -641.479850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.479850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.479850 (E_RNA)
where:
Base-Base interactions energy: -257.955
where: short stacking energy: -165.374
Base-Backbone interact. energy: -0.193
local terms energy: -383.331120
where:
bonds (distance) C4'-P energy: -112.280
bonds (distance) P-C4' energy: -140.444
flat angles C4'-P-C4' energy: -99.328
flat angles P-C4'-P energy: -63.341
tors. eta vs tors. theta energy: 32.062
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: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2105.983250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.983250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.983250 (E_RNA)
where:
Base-Base interactions energy: -1316.194
where: short stacking energy: -669.665
Base-Backbone interact. energy: -0.230
local terms energy: -789.558667
where:
bonds (distance) C4'-P energy: -151.668
bonds (distance) P-C4' energy: -173.497
flat angles C4'-P-C4' energy: -164.236
flat angles P-C4'-P energy: -118.825
tors. eta vs tors. theta energy: -181.333
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2110.630053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.630053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.630053 (E_RNA)
where:
Base-Base interactions energy: -1342.112
where: short stacking energy: -660.169
Base-Backbone interact. energy: 2.586
local terms energy: -771.104071
where:
bonds (distance) C4'-P energy: -152.736
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -170.571
flat angles P-C4'-P energy: -106.746
tors. eta vs tors. theta energy: -182.803
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: 34
Temperature: 1.000000
Total energy: -1815.769510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.769510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.769510 (E_RNA)
where:
Base-Base interactions energy: -1088.841
where: short stacking energy: -598.443
Base-Backbone interact. energy: -1.291
local terms energy: -725.636958
where:
bonds (distance) C4'-P energy: -152.563
bonds (distance) P-C4' energy: -152.785
flat angles C4'-P-C4' energy: -176.213
flat angles P-C4'-P energy: -101.775
tors. eta vs tors. theta energy: -142.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1734.194890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.194890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.194890 (E_RNA)
where:
Base-Base interactions energy: -1046.839
where: short stacking energy: -512.065
Base-Backbone interact. energy: -3.023
local terms energy: -684.332675
where:
bonds (distance) C4'-P energy: -148.290
bonds (distance) P-C4' energy: -158.384
flat angles C4'-P-C4' energy: -161.676
flat angles P-C4'-P energy: -101.154
tors. eta vs tors. theta energy: -114.828
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1536.511446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.511446 (E_RNA)
where:
Base-Base interactions energy: -908.784
where: short stacking energy: -463.275
Base-Backbone interact. energy: -1.229
local terms energy: -626.497831
where:
bonds (distance) C4'-P energy: -140.118
bonds (distance) P-C4' energy: -140.097
flat angles C4'-P-C4' energy: -146.121
flat angles P-C4'-P energy: -106.853
tors. eta vs tors. theta energy: -93.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1271.955595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.955595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.955595 (E_RNA)
where:
Base-Base interactions energy: -710.244
where: short stacking energy: -378.474
Base-Backbone interact. energy: -1.601
local terms energy: -560.110426
where:
bonds (distance) C4'-P energy: -133.212
bonds (distance) P-C4' energy: -131.759
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -82.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1195.968976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.968976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.968976 (E_RNA)
where:
Base-Base interactions energy: -644.274
where: short stacking energy: -339.736
Base-Backbone interact. energy: 1.338
local terms energy: -553.033427
where:
bonds (distance) C4'-P energy: -136.769
bonds (distance) P-C4' energy: -144.175
flat angles C4'-P-C4' energy: -137.552
flat angles P-C4'-P energy: -93.593
tors. eta vs tors. theta energy: -40.944
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: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1008.062608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.062608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.062608 (E_RNA)
where:
Base-Base interactions energy: -501.575
where: short stacking energy: -268.737
Base-Backbone interact. energy: -2.392
local terms energy: -504.095828
where:
bonds (distance) C4'-P energy: -129.372
bonds (distance) P-C4' energy: -138.228
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -75.418
tors. eta vs tors. theta energy: -17.527
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: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -712.785617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.785617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.785617 (E_RNA)
where:
Base-Base interactions energy: -299.780
where: short stacking energy: -215.551
Base-Backbone interact. energy: -1.557
local terms energy: -411.448291
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -152.474
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -49.150
tors. eta vs tors. theta energy: 20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -659.331274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.331274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.331274 (E_RNA)
where:
Base-Base interactions energy: -263.451
where: short stacking energy: -210.929
Base-Backbone interact. energy: -0.045
local terms energy: -395.835931
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -131.287
flat angles C4'-P-C4' energy: -103.296
flat angles P-C4'-P energy: -49.485
tors. eta vs tors. theta energy: 18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2129.378571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.378571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.378571 (E_RNA)
where:
Base-Base interactions energy: -1332.921
where: short stacking energy: -685.857
Base-Backbone interact. energy: 1.610
local terms energy: -798.067613
where:
bonds (distance) C4'-P energy: -161.067
bonds (distance) P-C4' energy: -178.807
flat angles C4'-P-C4' energy: -170.863
flat angles P-C4'-P energy: -109.651
tors. eta vs tors. theta energy: -177.680
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: 35
Temperature: 0.950000
Total energy: -2120.632147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.632147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.632147 (E_RNA)
where:
Base-Base interactions energy: -1360.208
where: short stacking energy: -598.744
Base-Backbone interact. energy: -0.165
local terms energy: -760.259540
where:
bonds (distance) C4'-P energy: -160.728
bonds (distance) P-C4' energy: -155.993
flat angles C4'-P-C4' energy: -166.588
flat angles P-C4'-P energy: -113.119
tors. eta vs tors. theta energy: -163.832
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: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1794.196662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.196662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.196662 (E_RNA)
where:
Base-Base interactions energy: -1101.497
where: short stacking energy: -567.647
Base-Backbone interact. energy: -3.145
local terms energy: -689.554499
where:
bonds (distance) C4'-P energy: -140.481
bonds (distance) P-C4' energy: -156.076
flat angles C4'-P-C4' energy: -155.927
flat angles P-C4'-P energy: -104.006
tors. eta vs tors. theta energy: -133.065
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1679.697701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.697701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.697701 (E_RNA)
where:
Base-Base interactions energy: -1026.747
where: short stacking energy: -518.771
Base-Backbone interact. energy: -2.064
local terms energy: -650.887014
where:
bonds (distance) C4'-P energy: -149.345
bonds (distance) P-C4' energy: -159.580
flat angles C4'-P-C4' energy: -136.297
flat angles P-C4'-P energy: -93.355
tors. eta vs tors. theta energy: -112.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1567.208359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.208359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.208359 (E_RNA)
where:
Base-Base interactions energy: -925.615
where: short stacking energy: -459.991
Base-Backbone interact. energy: -1.470
local terms energy: -640.123225
where:
bonds (distance) C4'-P energy: -140.976
bonds (distance) P-C4' energy: -151.801
flat angles C4'-P-C4' energy: -158.125
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -99.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1255.953948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.953948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.953948 (E_RNA)
where:
Base-Base interactions energy: -739.319
where: short stacking energy: -386.051
Base-Backbone interact. energy: 1.354
local terms energy: -517.988962
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -131.645
flat angles C4'-P-C4' energy: -144.805
flat angles P-C4'-P energy: -62.445
tors. eta vs tors. theta energy: -49.423
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: 35
Temperature: 1.200000
Total energy: -1201.804007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.804007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.804007 (E_RNA)
where:
Base-Base interactions energy: -645.555
where: short stacking energy: -336.460
Base-Backbone interact. energy: -1.532
local terms energy: -554.716916
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -146.468
flat angles C4'-P-C4' energy: -146.214
flat angles P-C4'-P energy: -98.536
tors. eta vs tors. theta energy: -33.055
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: 35
Temperature: 1.250000
Total energy: -1006.835933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.835933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.835933 (E_RNA)
where:
Base-Base interactions energy: -519.874
where: short stacking energy: -293.757
Base-Backbone interact. energy: 2.386
local terms energy: -489.348214
where:
bonds (distance) C4'-P energy: -126.761
bonds (distance) P-C4' energy: -149.315
flat angles C4'-P-C4' energy: -124.417
flat angles P-C4'-P energy: -76.357
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -719.963559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.963559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.963559 (E_RNA)
where:
Base-Base interactions energy: -287.729
where: short stacking energy: -193.445
Base-Backbone interact. energy: -2.357
local terms energy: -429.877460
where:
bonds (distance) C4'-P energy: -131.752
bonds (distance) P-C4' energy: -141.618
flat angles C4'-P-C4' energy: -90.437
flat angles P-C4'-P energy: -70.748
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -669.957029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.957029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.957029 (E_RNA)
where:
Base-Base interactions energy: -266.745
where: short stacking energy: -189.787
Base-Backbone interact. energy: 0.351
local terms energy: -403.563563
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -122.595
flat angles C4'-P-C4' energy: -116.639
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: 26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2127.717651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.717651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.717651 (E_RNA)
where:
Base-Base interactions energy: -1313.894
where: short stacking energy: -702.344
Base-Backbone interact. energy: 2.116
local terms energy: -815.939880
where:
bonds (distance) C4'-P energy: -157.423
bonds (distance) P-C4' energy: -165.030
flat angles C4'-P-C4' energy: -185.177
flat angles P-C4'-P energy: -118.037
tors. eta vs tors. theta energy: -190.272
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: 36
Temperature: 0.950000
Total energy: -2114.481301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.481301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.481301 (E_RNA)
where:
Base-Base interactions energy: -1353.907
where: short stacking energy: -641.253
Base-Backbone interact. energy: 0.449
local terms energy: -761.023720
where:
bonds (distance) C4'-P energy: -162.403
bonds (distance) P-C4' energy: -156.257
flat angles C4'-P-C4' energy: -165.643
flat angles P-C4'-P energy: -104.445
tors. eta vs tors. theta energy: -172.276
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: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1836.728212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.728212 (E_RNA)
where:
Base-Base interactions energy: -1087.286
where: short stacking energy: -567.426
Base-Backbone interact. energy: -2.603
local terms energy: -746.839916
where:
bonds (distance) C4'-P energy: -141.942
bonds (distance) P-C4' energy: -176.264
flat angles C4'-P-C4' energy: -168.269
flat angles P-C4'-P energy: -116.600
tors. eta vs tors. theta energy: -143.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1657.747395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.747395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.747395 (E_RNA)
where:
Base-Base interactions energy: -1004.597
where: short stacking energy: -494.213
Base-Backbone interact. energy: -4.634
local terms energy: -648.515619
where:
bonds (distance) C4'-P energy: -153.160
bonds (distance) P-C4' energy: -150.152
flat angles C4'-P-C4' energy: -147.968
flat angles P-C4'-P energy: -94.465
tors. eta vs tors. theta energy: -102.770
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1529.669168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.669168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.669168 (E_RNA)
where:
Base-Base interactions energy: -860.510
where: short stacking energy: -450.151
Base-Backbone interact. energy: -3.685
local terms energy: -665.474199
where:
bonds (distance) C4'-P energy: -138.209
bonds (distance) P-C4' energy: -178.275
flat angles C4'-P-C4' energy: -156.464
flat angles P-C4'-P energy: -93.165
tors. eta vs tors. theta energy: -99.361
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: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1274.319859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.319859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.319859 (E_RNA)
where:
Base-Base interactions energy: -737.983
where: short stacking energy: -392.779
Base-Backbone interact. energy: 1.050
local terms energy: -537.386403
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -145.736
flat angles C4'-P-C4' energy: -142.106
flat angles P-C4'-P energy: -77.385
tors. eta vs tors. theta energy: -48.031
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1193.883727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.883727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.883727 (E_RNA)
where:
Base-Base interactions energy: -636.232
where: short stacking energy: -335.013
Base-Backbone interact. energy: 6.371
local terms energy: -564.022366
where:
bonds (distance) C4'-P energy: -155.777
bonds (distance) P-C4' energy: -138.641
flat angles C4'-P-C4' energy: -144.502
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -48.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1021.271444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.271444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.271444 (E_RNA)
where:
Base-Base interactions energy: -542.626
where: short stacking energy: -277.798
Base-Backbone interact. energy: -2.405
local terms energy: -476.239984
where:
bonds (distance) C4'-P energy: -113.664
bonds (distance) P-C4' energy: -153.799
flat angles C4'-P-C4' energy: -117.534
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -732.052611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.052611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.052611 (E_RNA)
where:
Base-Base interactions energy: -311.506
where: short stacking energy: -220.912
Base-Backbone interact. energy: -0.538
local terms energy: -420.009160
where:
bonds (distance) C4'-P energy: -116.470
bonds (distance) P-C4' energy: -136.372
flat angles C4'-P-C4' energy: -133.953
flat angles P-C4'-P energy: -66.611
tors. eta vs tors. theta energy: 33.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -654.304097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.304097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.304097 (E_RNA)
where:
Base-Base interactions energy: -247.527
where: short stacking energy: -190.592
Base-Backbone interact. energy: 4.431
local terms energy: -411.207638
where:
bonds (distance) C4'-P energy: -120.322
bonds (distance) P-C4' energy: -138.948
flat angles C4'-P-C4' energy: -120.881
flat angles P-C4'-P energy: -55.917
tors. eta vs tors. theta energy: 24.861
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: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2074.071031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.071031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.071031 (E_RNA)
where:
Base-Base interactions energy: -1282.347
where: short stacking energy: -686.182
Base-Backbone interact. energy: -3.684
local terms energy: -788.039349
where:
bonds (distance) C4'-P energy: -163.153
bonds (distance) P-C4' energy: -163.469
flat angles C4'-P-C4' energy: -174.463
flat angles P-C4'-P energy: -100.664
tors. eta vs tors. theta energy: -186.290
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2080.241446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.241446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.241446 (E_RNA)
where:
Base-Base interactions energy: -1315.568
where: short stacking energy: -659.962
Base-Backbone interact. energy: -1.326
local terms energy: -763.347589
where:
bonds (distance) C4'-P energy: -147.523
bonds (distance) P-C4' energy: -158.300
flat angles C4'-P-C4' energy: -160.093
flat angles P-C4'-P energy: -116.187
tors. eta vs tors. theta energy: -181.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1828.271086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.271086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.271086 (E_RNA)
where:
Base-Base interactions energy: -1082.259
where: short stacking energy: -558.070
Base-Backbone interact. energy: -3.133
local terms energy: -742.878865
where:
bonds (distance) C4'-P energy: -170.094
bonds (distance) P-C4' energy: -163.627
flat angles C4'-P-C4' energy: -160.056
flat angles P-C4'-P energy: -104.135
tors. eta vs tors. theta energy: -144.968
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: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1761.935215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.935215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.935215 (E_RNA)
where:
Base-Base interactions energy: -1087.713
where: short stacking energy: -528.713
Base-Backbone interact. energy: -0.417
local terms energy: -673.805970
where:
bonds (distance) C4'-P energy: -159.160
bonds (distance) P-C4' energy: -148.410
flat angles C4'-P-C4' energy: -158.319
flat angles P-C4'-P energy: -88.595
tors. eta vs tors. theta energy: -119.321
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: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1510.725085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.725085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.725085 (E_RNA)
where:
Base-Base interactions energy: -889.091
where: short stacking energy: -439.714
Base-Backbone interact. energy: 1.993
local terms energy: -623.627361
where:
bonds (distance) C4'-P energy: -135.874
bonds (distance) P-C4' energy: -154.991
flat angles C4'-P-C4' energy: -153.154
flat angles P-C4'-P energy: -95.515
tors. eta vs tors. theta energy: -84.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1272.234818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.234818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.234818 (E_RNA)
where:
Base-Base interactions energy: -710.456
where: short stacking energy: -382.534
Base-Backbone interact. energy: 2.662
local terms energy: -564.440387
where:
bonds (distance) C4'-P energy: -149.441
bonds (distance) P-C4' energy: -151.089
flat angles C4'-P-C4' energy: -126.673
flat angles P-C4'-P energy: -74.859
tors. eta vs tors. theta energy: -62.378
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: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1271.588320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.588320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.588320 (E_RNA)
where:
Base-Base interactions energy: -712.200
where: short stacking energy: -375.575
Base-Backbone interact. energy: 1.924
local terms energy: -561.312076
where:
bonds (distance) C4'-P energy: -135.662
bonds (distance) P-C4' energy: -144.579
flat angles C4'-P-C4' energy: -148.402
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -64.637
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: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1041.757949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.757949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.757949 (E_RNA)
where:
Base-Base interactions energy: -526.571
where: short stacking energy: -283.393
Base-Backbone interact. energy: 0.367
local terms energy: -515.553610
where:
bonds (distance) C4'-P energy: -146.456
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -128.329
flat angles P-C4'-P energy: -72.676
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -701.060220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.060220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.060220 (E_RNA)
where:
Base-Base interactions energy: -298.344
where: short stacking energy: -220.456
Base-Backbone interact. energy: -0.104
local terms energy: -402.612040
where:
bonds (distance) C4'-P energy: -114.533
bonds (distance) P-C4' energy: -126.752
flat angles C4'-P-C4' energy: -119.209
flat angles P-C4'-P energy: -47.401
tors. eta vs tors. theta energy: 5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -664.305622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.305622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.305622 (E_RNA)
where:
Base-Base interactions energy: -273.157
where: short stacking energy: -182.837
Base-Backbone interact. energy: 1.695
local terms energy: -392.843395
where:
bonds (distance) C4'-P energy: -139.690
bonds (distance) P-C4' energy: -129.470
flat angles C4'-P-C4' energy: -87.433
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: 30.785
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: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2209.691682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.691682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.691682 (E_RNA)
where:
Base-Base interactions energy: -1431.482
where: short stacking energy: -706.064
Base-Backbone interact. energy: -2.764
local terms energy: -775.446045
where:
bonds (distance) C4'-P energy: -161.512
bonds (distance) P-C4' energy: -159.737
flat angles C4'-P-C4' energy: -171.879
flat angles P-C4'-P energy: -94.887
tors. eta vs tors. theta energy: -187.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2024.150042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.150042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.150042 (E_RNA)
where:
Base-Base interactions energy: -1237.540
where: short stacking energy: -651.376
Base-Backbone interact. energy: -3.392
local terms energy: -783.218199
where:
bonds (distance) C4'-P energy: -154.323
bonds (distance) P-C4' energy: -171.272
flat angles C4'-P-C4' energy: -158.929
flat angles P-C4'-P energy: -106.109
tors. eta vs tors. theta energy: -192.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1814.297766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.297766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.297766 (E_RNA)
where:
Base-Base interactions energy: -1101.383
where: short stacking energy: -553.208
Base-Backbone interact. energy: 0.025
local terms energy: -712.939696
where:
bonds (distance) C4'-P energy: -147.776
bonds (distance) P-C4' energy: -160.533
flat angles C4'-P-C4' energy: -147.461
flat angles P-C4'-P energy: -110.391
tors. eta vs tors. theta energy: -146.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1829.874006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.874006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.874006 (E_RNA)
where:
Base-Base interactions energy: -1141.482
where: short stacking energy: -532.143
Base-Backbone interact. energy: 0.676
local terms energy: -689.067718
where:
bonds (distance) C4'-P energy: -157.052
bonds (distance) P-C4' energy: -143.262
flat angles C4'-P-C4' energy: -155.259
flat angles P-C4'-P energy: -101.386
tors. eta vs tors. theta energy: -132.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1524.565591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.565591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.565591 (E_RNA)
where:
Base-Base interactions energy: -924.474
where: short stacking energy: -477.853
Base-Backbone interact. energy: -2.798
local terms energy: -597.293603
where:
bonds (distance) C4'-P energy: -139.310
bonds (distance) P-C4' energy: -144.361
flat angles C4'-P-C4' energy: -147.119
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -96.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1294.658956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.658956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.658956 (E_RNA)
where:
Base-Base interactions energy: -712.892
where: short stacking energy: -359.827
Base-Backbone interact. energy: 1.201
local terms energy: -582.967346
where:
bonds (distance) C4'-P energy: -143.403
bonds (distance) P-C4' energy: -147.467
flat angles C4'-P-C4' energy: -138.655
flat angles P-C4'-P energy: -88.759
tors. eta vs tors. theta energy: -64.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1281.396892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.396892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.396892 (E_RNA)
where:
Base-Base interactions energy: -736.216
where: short stacking energy: -396.318
Base-Backbone interact. energy: -1.771
local terms energy: -543.410234
where:
bonds (distance) C4'-P energy: -159.849
bonds (distance) P-C4' energy: -128.105
flat angles C4'-P-C4' energy: -131.152
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -56.175
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: 38
Temperature: 1.250000
Total energy: -1101.248418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.248418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.248418 (E_RNA)
where:
Base-Base interactions energy: -598.239
where: short stacking energy: -327.639
Base-Backbone interact. energy: 1.540
local terms energy: -504.550093
where:
bonds (distance) C4'-P energy: -132.600
bonds (distance) P-C4' energy: -149.659
flat angles C4'-P-C4' energy: -105.513
flat angles P-C4'-P energy: -70.928
tors. eta vs tors. theta energy: -45.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -744.131700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.131700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.131700 (E_RNA)
where:
Base-Base interactions energy: -311.953
where: short stacking energy: -213.901
Base-Backbone interact. energy: 0.715
local terms energy: -432.893150
where:
bonds (distance) C4'-P energy: -125.778
bonds (distance) P-C4' energy: -139.555
flat angles C4'-P-C4' energy: -108.410
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: 2.706
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: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -674.529797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.529797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.529797 (E_RNA)
where:
Base-Base interactions energy: -269.226
where: short stacking energy: -196.130
Base-Backbone interact. energy: -0.868
local terms energy: -404.436427
where:
bonds (distance) C4'-P energy: -139.980
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -112.302
flat angles P-C4'-P energy: -45.359
tors. eta vs tors. theta energy: 27.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2235.767885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.767885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.767885 (E_RNA)
where:
Base-Base interactions energy: -1399.666
where: short stacking energy: -697.228
Base-Backbone interact. energy: -3.612
local terms energy: -832.489723
where:
bonds (distance) C4'-P energy: -145.169
bonds (distance) P-C4' energy: -177.552
flat angles C4'-P-C4' energy: -182.221
flat angles P-C4'-P energy: -119.248
tors. eta vs tors. theta energy: -208.299
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: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1916.424590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.424590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.424590 (E_RNA)
where:
Base-Base interactions energy: -1196.478
where: short stacking energy: -635.942
Base-Backbone interact. energy: -1.952
local terms energy: -717.993926
where:
bonds (distance) C4'-P energy: -138.891
bonds (distance) P-C4' energy: -142.007
flat angles C4'-P-C4' energy: -167.495
flat angles P-C4'-P energy: -104.948
tors. eta vs tors. theta energy: -164.654
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1852.497118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.497118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.497118 (E_RNA)
where:
Base-Base interactions energy: -1138.932
where: short stacking energy: -574.849
Base-Backbone interact. energy: -3.426
local terms energy: -710.138946
where:
bonds (distance) C4'-P energy: -166.977
bonds (distance) P-C4' energy: -162.778
flat angles C4'-P-C4' energy: -165.103
flat angles P-C4'-P energy: -89.286
tors. eta vs tors. theta energy: -125.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1874.569820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.569820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.569820 (E_RNA)
where:
Base-Base interactions energy: -1199.005
where: short stacking energy: -560.609
Base-Backbone interact. energy: 1.351
local terms energy: -676.916052
where:
bonds (distance) C4'-P energy: -118.512
bonds (distance) P-C4' energy: -168.312
flat angles C4'-P-C4' energy: -156.514
flat angles P-C4'-P energy: -89.707
tors. eta vs tors. theta energy: -143.871
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: 39
Temperature: 1.100000
Total energy: -1560.424033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.424033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.424033 (E_RNA)
where:
Base-Base interactions energy: -940.348
where: short stacking energy: -470.959
Base-Backbone interact. energy: -1.808
local terms energy: -618.268740
where:
bonds (distance) C4'-P energy: -129.493
bonds (distance) P-C4' energy: -137.486
flat angles C4'-P-C4' energy: -153.437
flat angles P-C4'-P energy: -86.598
tors. eta vs tors. theta energy: -111.255
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: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1479.374642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.374642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.374642 (E_RNA)
where:
Base-Base interactions energy: -853.863
where: short stacking energy: -455.598
Base-Backbone interact. energy: -2.976
local terms energy: -622.536146
where:
bonds (distance) C4'-P energy: -117.759
bonds (distance) P-C4' energy: -149.199
flat angles C4'-P-C4' energy: -150.624
flat angles P-C4'-P energy: -95.972
tors. eta vs tors. theta energy: -108.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1225.649340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.649340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.649340 (E_RNA)
where:
Base-Base interactions energy: -655.409
where: short stacking energy: -353.460
Base-Backbone interact. energy: -1.040
local terms energy: -569.199488
where:
bonds (distance) C4'-P energy: -117.868
bonds (distance) P-C4' energy: -152.814
flat angles C4'-P-C4' energy: -136.838
flat angles P-C4'-P energy: -96.593
tors. eta vs tors. theta energy: -65.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1140.805927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.805927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.805927 (E_RNA)
where:
Base-Base interactions energy: -624.923
where: short stacking energy: -328.872
Base-Backbone interact. energy: 1.775
local terms energy: -517.658500
where:
bonds (distance) C4'-P energy: -126.352
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -132.005
flat angles P-C4'-P energy: -75.976
tors. eta vs tors. theta energy: -49.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -722.119883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.119883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.119883 (E_RNA)
where:
Base-Base interactions energy: -276.140
where: short stacking energy: -187.356
Base-Backbone interact. energy: -1.300
local terms energy: -444.680164
where:
bonds (distance) C4'-P energy: -148.332
bonds (distance) P-C4' energy: -135.740
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: 27.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -644.575402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.575402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.575402 (E_RNA)
where:
Base-Base interactions energy: -261.145
where: short stacking energy: -188.472
Base-Backbone interact. energy: 3.037
local terms energy: -386.467470
where:
bonds (distance) C4'-P energy: -125.617
bonds (distance) P-C4' energy: -125.928
flat angles C4'-P-C4' energy: -113.294
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: 22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2273.018903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.018903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.018903 (E_RNA)
where:
Base-Base interactions energy: -1416.826
where: short stacking energy: -713.075
Base-Backbone interact. energy: -3.679
local terms energy: -852.513697
where:
bonds (distance) C4'-P energy: -173.481
bonds (distance) P-C4' energy: -159.982
flat angles C4'-P-C4' energy: -178.738
flat angles P-C4'-P energy: -128.231
tors. eta vs tors. theta energy: -212.082
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: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1937.293611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.293611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.293611 (E_RNA)
where:
Base-Base interactions energy: -1174.669
where: short stacking energy: -609.824
Base-Backbone interact. energy: -0.658
local terms energy: -761.965875
where:
bonds (distance) C4'-P energy: -137.477
bonds (distance) P-C4' energy: -162.659
flat angles C4'-P-C4' energy: -176.305
flat angles P-C4'-P energy: -111.677
tors. eta vs tors. theta energy: -173.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1962.614952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.614952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.614952 (E_RNA)
where:
Base-Base interactions energy: -1269.317
where: short stacking energy: -557.434
Base-Backbone interact. energy: -1.114
local terms energy: -692.183956
where:
bonds (distance) C4'-P energy: -144.107
bonds (distance) P-C4' energy: -159.248
flat angles C4'-P-C4' energy: -158.337
flat angles P-C4'-P energy: -106.119
tors. eta vs tors. theta energy: -124.374
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1750.270267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.270267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.270267 (E_RNA)
where:
Base-Base interactions energy: -1061.023
where: short stacking energy: -544.323
Base-Backbone interact. energy: -2.571
local terms energy: -686.676482
where:
bonds (distance) C4'-P energy: -156.826
bonds (distance) P-C4' energy: -149.705
flat angles C4'-P-C4' energy: -152.462
flat angles P-C4'-P energy: -95.996
tors. eta vs tors. theta energy: -131.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1614.898985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.898985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.898985 (E_RNA)
where:
Base-Base interactions energy: -953.967
where: short stacking energy: -482.672
Base-Backbone interact. energy: -0.572
local terms energy: -660.360297
where:
bonds (distance) C4'-P energy: -156.962
bonds (distance) P-C4' energy: -148.404
flat angles C4'-P-C4' energy: -156.817
flat angles P-C4'-P energy: -81.477
tors. eta vs tors. theta energy: -116.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1394.962680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.962680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.962680 (E_RNA)
where:
Base-Base interactions energy: -807.174
where: short stacking energy: -405.540
Base-Backbone interact. energy: -3.657
local terms energy: -584.131597
where:
bonds (distance) C4'-P energy: -147.468
bonds (distance) P-C4' energy: -156.623
flat angles C4'-P-C4' energy: -132.886
flat angles P-C4'-P energy: -77.941
tors. eta vs tors. theta energy: -69.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1263.200930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.200930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.200930 (E_RNA)
where:
Base-Base interactions energy: -696.901
where: short stacking energy: -379.408
Base-Backbone interact. energy: 4.842
local terms energy: -571.142412
where:
bonds (distance) C4'-P energy: -128.655
bonds (distance) P-C4' energy: -138.366
flat angles C4'-P-C4' energy: -146.337
flat angles P-C4'-P energy: -97.679
tors. eta vs tors. theta energy: -60.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1104.848444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.848444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.848444 (E_RNA)
where:
Base-Base interactions energy: -616.912
where: short stacking energy: -300.943
Base-Backbone interact. energy: -2.808
local terms energy: -485.128167
where:
bonds (distance) C4'-P energy: -117.234
bonds (distance) P-C4' energy: -148.571
flat angles C4'-P-C4' energy: -122.009
flat angles P-C4'-P energy: -81.340
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -727.550452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.550452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.550452 (E_RNA)
where:
Base-Base interactions energy: -269.787
where: short stacking energy: -193.584
Base-Backbone interact. energy: 4.689
local terms energy: -462.452428
where:
bonds (distance) C4'-P energy: -135.571
bonds (distance) P-C4' energy: -146.044
flat angles C4'-P-C4' energy: -126.749
flat angles P-C4'-P energy: -73.069
tors. eta vs tors. theta energy: 18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -688.472770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.472770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.472770 (E_RNA)
where:
Base-Base interactions energy: -299.682
where: short stacking energy: -200.444
Base-Backbone interact. energy: 0.937
local terms energy: -389.727863
where:
bonds (distance) C4'-P energy: -132.342
bonds (distance) P-C4' energy: -127.087
flat angles C4'-P-C4' energy: -100.511
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: 16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2247.077296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.077296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.077296 (E_RNA)
where:
Base-Base interactions energy: -1409.408
where: short stacking energy: -667.610
Base-Backbone interact. energy: -7.350
local terms energy: -830.319086
where:
bonds (distance) C4'-P energy: -151.368
bonds (distance) P-C4' energy: -160.290
flat angles C4'-P-C4' energy: -200.622
flat angles P-C4'-P energy: -120.325
tors. eta vs tors. theta energy: -197.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2084.110721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.110721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.110721 (E_RNA)
where:
Base-Base interactions energy: -1339.565
where: short stacking energy: -660.688
Base-Backbone interact. energy: 0.465
local terms energy: -745.010786
where:
bonds (distance) C4'-P energy: -155.748
bonds (distance) P-C4' energy: -158.368
flat angles C4'-P-C4' energy: -166.957
flat angles P-C4'-P energy: -104.200
tors. eta vs tors. theta energy: -159.738
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: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1914.714697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.714697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.714697 (E_RNA)
where:
Base-Base interactions energy: -1170.156
where: short stacking energy: -589.724
Base-Backbone interact. energy: -2.182
local terms energy: -742.376679
where:
bonds (distance) C4'-P energy: -157.018
bonds (distance) P-C4' energy: -149.566
flat angles C4'-P-C4' energy: -170.361
flat angles P-C4'-P energy: -115.189
tors. eta vs tors. theta energy: -150.242
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1791.786919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.786919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.786919 (E_RNA)
where:
Base-Base interactions energy: -1102.501
where: short stacking energy: -549.809
Base-Backbone interact. energy: -0.888
local terms energy: -688.397104
where:
bonds (distance) C4'-P energy: -141.823
bonds (distance) P-C4' energy: -160.101
flat angles C4'-P-C4' energy: -158.453
flat angles P-C4'-P energy: -90.091
tors. eta vs tors. theta energy: -137.928
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: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1628.318373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.318373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.318373 (E_RNA)
where:
Base-Base interactions energy: -961.399
where: short stacking energy: -465.223
Base-Backbone interact. energy: 0.177
local terms energy: -667.096672
where:
bonds (distance) C4'-P energy: -149.020
bonds (distance) P-C4' energy: -152.810
flat angles C4'-P-C4' energy: -151.104
flat angles P-C4'-P energy: -105.555
tors. eta vs tors. theta energy: -108.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1492.867091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.867091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.867091 (E_RNA)
where:
Base-Base interactions energy: -899.136
where: short stacking energy: -442.877
Base-Backbone interact. energy: -0.086
local terms energy: -593.645132
where:
bonds (distance) C4'-P energy: -152.550
bonds (distance) P-C4' energy: -147.019
flat angles C4'-P-C4' energy: -141.848
flat angles P-C4'-P energy: -71.101
tors. eta vs tors. theta energy: -81.127
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: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1258.270599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.270599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.270599 (E_RNA)
where:
Base-Base interactions energy: -720.603
where: short stacking energy: -366.719
Base-Backbone interact. energy: -1.826
local terms energy: -535.841626
where:
bonds (distance) C4'-P energy: -141.581
bonds (distance) P-C4' energy: -128.360
flat angles C4'-P-C4' energy: -126.007
flat angles P-C4'-P energy: -84.381
tors. eta vs tors. theta energy: -55.513
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1031.174344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.174344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.174344 (E_RNA)
where:
Base-Base interactions energy: -531.049
where: short stacking energy: -299.839
Base-Backbone interact. energy: 1.808
local terms energy: -501.934125
where:
bonds (distance) C4'-P energy: -113.608
bonds (distance) P-C4' energy: -167.888
flat angles C4'-P-C4' energy: -121.656
flat angles P-C4'-P energy: -83.266
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -746.071507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.071507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.071507 (E_RNA)
where:
Base-Base interactions energy: -337.873
where: short stacking energy: -219.600
Base-Backbone interact. energy: 1.836
local terms energy: -410.033982
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -121.366
flat angles P-C4'-P energy: -61.642
tors. eta vs tors. theta energy: 20.300
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: 41
Temperature: 1.350000
Total energy: -724.478855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.478855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.478855 (E_RNA)
where:
Base-Base interactions energy: -327.072
where: short stacking energy: -206.396
Base-Backbone interact. energy: 4.763
local terms energy: -402.169148
where:
bonds (distance) C4'-P energy: -98.766
bonds (distance) P-C4' energy: -132.823
flat angles C4'-P-C4' energy: -102.486
flat angles P-C4'-P energy: -64.267
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2244.512630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.512630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.512630 (E_RNA)
where:
Base-Base interactions energy: -1434.218
where: short stacking energy: -717.097
Base-Backbone interact. energy: -3.496
local terms energy: -806.798464
where:
bonds (distance) C4'-P energy: -170.868
bonds (distance) P-C4' energy: -146.644
flat angles C4'-P-C4' energy: -175.576
flat angles P-C4'-P energy: -112.742
tors. eta vs tors. theta energy: -200.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2047.408124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.408124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.408124 (E_RNA)
where:
Base-Base interactions energy: -1327.478
where: short stacking energy: -621.470
Base-Backbone interact. energy: -0.581
local terms energy: -719.349955
where:
bonds (distance) C4'-P energy: -159.137
bonds (distance) P-C4' energy: -154.550
flat angles C4'-P-C4' energy: -169.664
flat angles P-C4'-P energy: -95.477
tors. eta vs tors. theta energy: -140.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1912.883938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.883938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.883938 (E_RNA)
where:
Base-Base interactions energy: -1188.402
where: short stacking energy: -623.255
Base-Backbone interact. energy: -0.831
local terms energy: -723.651651
where:
bonds (distance) C4'-P energy: -137.806
bonds (distance) P-C4' energy: -159.795
flat angles C4'-P-C4' energy: -162.225
flat angles P-C4'-P energy: -104.910
tors. eta vs tors. theta energy: -158.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1767.794787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.794787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.794787 (E_RNA)
where:
Base-Base interactions energy: -1071.740
where: short stacking energy: -513.821
Base-Backbone interact. energy: 0.379
local terms energy: -696.433274
where:
bonds (distance) C4'-P energy: -160.847
bonds (distance) P-C4' energy: -158.794
flat angles C4'-P-C4' energy: -163.128
flat angles P-C4'-P energy: -94.855
tors. eta vs tors. theta energy: -118.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1659.440978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.440978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.440978 (E_RNA)
where:
Base-Base interactions energy: -972.070
where: short stacking energy: -485.710
Base-Backbone interact. energy: 1.008
local terms energy: -688.379141
where:
bonds (distance) C4'-P energy: -136.640
bonds (distance) P-C4' energy: -159.142
flat angles C4'-P-C4' energy: -155.000
flat angles P-C4'-P energy: -109.671
tors. eta vs tors. theta energy: -127.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1595.164174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.164174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.164174 (E_RNA)
where:
Base-Base interactions energy: -982.588
where: short stacking energy: -491.156
Base-Backbone interact. energy: -3.214
local terms energy: -609.362607
where:
bonds (distance) C4'-P energy: -135.616
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -149.888
flat angles P-C4'-P energy: -92.382
tors. eta vs tors. theta energy: -94.316
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: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1256.937135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.937135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.937135 (E_RNA)
where:
Base-Base interactions energy: -701.318
where: short stacking energy: -371.186
Base-Backbone interact. energy: 4.060
local terms energy: -559.678685
where:
bonds (distance) C4'-P energy: -127.407
bonds (distance) P-C4' energy: -158.873
flat angles C4'-P-C4' energy: -146.809
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -48.521
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -926.808663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.808663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.808663 (E_RNA)
where:
Base-Base interactions energy: -450.059
where: short stacking energy: -278.807
Base-Backbone interact. energy: -1.852
local terms energy: -474.897676
where:
bonds (distance) C4'-P energy: -120.015
bonds (distance) P-C4' energy: -152.530
flat angles C4'-P-C4' energy: -122.374
flat angles P-C4'-P energy: -74.213
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -847.111606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.111606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.111606 (E_RNA)
where:
Base-Base interactions energy: -359.535
where: short stacking energy: -213.205
Base-Backbone interact. energy: -0.237
local terms energy: -487.339328
where:
bonds (distance) C4'-P energy: -131.429
bonds (distance) P-C4' energy: -164.118
flat angles C4'-P-C4' energy: -136.000
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: 4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -688.077345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.077345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.077345 (E_RNA)
where:
Base-Base interactions energy: -304.210
where: short stacking energy: -195.321
Base-Backbone interact. energy: 10.091
local terms energy: -393.958777
where:
bonds (distance) C4'-P energy: -123.037
bonds (distance) P-C4' energy: -125.351
flat angles C4'-P-C4' energy: -109.476
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: 34.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2283.314403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.314403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.314403 (E_RNA)
where:
Base-Base interactions energy: -1419.205
where: short stacking energy: -724.050
Base-Backbone interact. energy: -1.468
local terms energy: -862.641209
where:
bonds (distance) C4'-P energy: -172.955
bonds (distance) P-C4' energy: -168.304
flat angles C4'-P-C4' energy: -180.818
flat angles P-C4'-P energy: -127.757
tors. eta vs tors. theta energy: -212.807
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: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2107.707085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.707085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.707085 (E_RNA)
where:
Base-Base interactions energy: -1330.099
where: short stacking energy: -623.310
Base-Backbone interact. energy: -3.671
local terms energy: -773.937722
where:
bonds (distance) C4'-P energy: -158.886
bonds (distance) P-C4' energy: -172.822
flat angles C4'-P-C4' energy: -179.903
flat angles P-C4'-P energy: -109.692
tors. eta vs tors. theta energy: -152.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1953.956876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.956876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.956876 (E_RNA)
where:
Base-Base interactions energy: -1205.440
where: short stacking energy: -618.459
Base-Backbone interact. energy: -2.335
local terms energy: -746.181545
where:
bonds (distance) C4'-P energy: -152.003
bonds (distance) P-C4' energy: -148.499
flat angles C4'-P-C4' energy: -170.238
flat angles P-C4'-P energy: -101.603
tors. eta vs tors. theta energy: -173.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1775.392830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.392830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.392830 (E_RNA)
where:
Base-Base interactions energy: -1111.028
where: short stacking energy: -548.403
Base-Backbone interact. energy: 4.326
local terms energy: -668.690735
where:
bonds (distance) C4'-P energy: -145.369
bonds (distance) P-C4' energy: -141.060
flat angles C4'-P-C4' energy: -166.132
flat angles P-C4'-P energy: -93.316
tors. eta vs tors. theta energy: -122.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1697.790552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.790552 (E_RNA)
where:
Base-Base interactions energy: -1062.556
where: short stacking energy: -525.942
Base-Backbone interact. energy: -1.044
local terms energy: -634.190913
where:
bonds (distance) C4'-P energy: -128.463
bonds (distance) P-C4' energy: -135.950
flat angles C4'-P-C4' energy: -151.027
flat angles P-C4'-P energy: -99.671
tors. eta vs tors. theta energy: -119.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1508.804684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.804684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.804684 (E_RNA)
where:
Base-Base interactions energy: -924.212
where: short stacking energy: -470.379
Base-Backbone interact. energy: -3.180
local terms energy: -581.412462
where:
bonds (distance) C4'-P energy: -130.353
bonds (distance) P-C4' energy: -117.276
flat angles C4'-P-C4' energy: -135.975
flat angles P-C4'-P energy: -93.078
tors. eta vs tors. theta energy: -104.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1225.040354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.040354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.040354 (E_RNA)
where:
Base-Base interactions energy: -666.264
where: short stacking energy: -338.169
Base-Backbone interact. energy: -5.556
local terms energy: -553.220523
where:
bonds (distance) C4'-P energy: -111.485
bonds (distance) P-C4' energy: -141.927
flat angles C4'-P-C4' energy: -141.008
flat angles P-C4'-P energy: -94.124
tors. eta vs tors. theta energy: -64.676
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: 43
Temperature: 1.250000
Total energy: -1017.758238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.758238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.758238 (E_RNA)
where:
Base-Base interactions energy: -544.333
where: short stacking energy: -290.619
Base-Backbone interact. energy: -0.926
local terms energy: -472.498535
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -135.323
flat angles C4'-P-C4' energy: -131.477
flat angles P-C4'-P energy: -82.889
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -896.074935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.074935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.074935 (E_RNA)
where:
Base-Base interactions energy: -437.055
where: short stacking energy: -251.132
Base-Backbone interact. energy: 4.070
local terms energy: -463.090086
where:
bonds (distance) C4'-P energy: -133.529
bonds (distance) P-C4' energy: -131.982
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -68.782
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: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -598.897430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.897430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.897430 (E_RNA)
where:
Base-Base interactions energy: -198.085
where: short stacking energy: -166.911
Base-Backbone interact. energy: 3.341
local terms energy: -404.153592
where:
bonds (distance) C4'-P energy: -120.476
bonds (distance) P-C4' energy: -141.341
flat angles C4'-P-C4' energy: -120.479
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: 33.578
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: 44
Temperature: 0.900000
Total energy: -2286.727834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.727834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.727834 (E_RNA)
where:
Base-Base interactions energy: -1446.914
where: short stacking energy: -690.721
Base-Backbone interact. energy: -3.621
local terms energy: -836.193441
where:
bonds (distance) C4'-P energy: -154.778
bonds (distance) P-C4' energy: -167.091
flat angles C4'-P-C4' energy: -180.452
flat angles P-C4'-P energy: -122.997
tors. eta vs tors. theta energy: -210.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2100.129015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.129015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.129015 (E_RNA)
where:
Base-Base interactions energy: -1322.281
where: short stacking energy: -602.408
Base-Backbone interact. energy: -7.007
local terms energy: -770.841253
where:
bonds (distance) C4'-P energy: -156.331
bonds (distance) P-C4' energy: -159.035
flat angles C4'-P-C4' energy: -183.996
flat angles P-C4'-P energy: -109.152
tors. eta vs tors. theta energy: -162.327
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1928.778599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.778599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.778599 (E_RNA)
where:
Base-Base interactions energy: -1184.638
where: short stacking energy: -591.472
Base-Backbone interact. energy: -3.026
local terms energy: -741.114378
where:
bonds (distance) C4'-P energy: -146.105
bonds (distance) P-C4' energy: -164.312
flat angles C4'-P-C4' energy: -170.224
flat angles P-C4'-P energy: -89.770
tors. eta vs tors. theta energy: -170.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1769.626770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.626770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.626770 (E_RNA)
where:
Base-Base interactions energy: -1064.223
where: short stacking energy: -512.560
Base-Backbone interact. energy: -2.036
local terms energy: -703.367901
where:
bonds (distance) C4'-P energy: -154.933
bonds (distance) P-C4' energy: -165.777
flat angles C4'-P-C4' energy: -152.983
flat angles P-C4'-P energy: -114.891
tors. eta vs tors. theta energy: -114.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1736.535561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.535561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.535561 (E_RNA)
where:
Base-Base interactions energy: -1084.326
where: short stacking energy: -519.659
Base-Backbone interact. energy: -3.769
local terms energy: -648.440852
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -140.609
flat angles C4'-P-C4' energy: -136.544
flat angles P-C4'-P energy: -100.919
tors. eta vs tors. theta energy: -130.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1543.010948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.010948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.010948 (E_RNA)
where:
Base-Base interactions energy: -919.154
where: short stacking energy: -468.438
Base-Backbone interact. energy: -0.433
local terms energy: -623.423949
where:
bonds (distance) C4'-P energy: -159.821
bonds (distance) P-C4' energy: -134.175
flat angles C4'-P-C4' energy: -143.958
flat angles P-C4'-P energy: -83.739
tors. eta vs tors. theta energy: -101.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1274.031182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.031182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.031182 (E_RNA)
where:
Base-Base interactions energy: -719.781
where: short stacking energy: -367.096
Base-Backbone interact. energy: -2.204
local terms energy: -552.046580
where:
bonds (distance) C4'-P energy: -136.427
bonds (distance) P-C4' energy: -160.447
flat angles C4'-P-C4' energy: -111.824
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -56.870
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: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1078.432276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.432276 (E_RNA)
where:
Base-Base interactions energy: -551.661
where: short stacking energy: -320.306
Base-Backbone interact. energy: -0.157
local terms energy: -526.614221
where:
bonds (distance) C4'-P energy: -132.147
bonds (distance) P-C4' energy: -156.053
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -95.668
tors. eta vs tors. theta energy: -29.352
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: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -867.748897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.748897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.748897 (E_RNA)
where:
Base-Base interactions energy: -412.412
where: short stacking energy: -234.263
Base-Backbone interact. energy: -1.744
local terms energy: -453.592345
where:
bonds (distance) C4'-P energy: -122.492
bonds (distance) P-C4' energy: -142.906
flat angles C4'-P-C4' energy: -121.713
flat angles P-C4'-P energy: -60.710
tors. eta vs tors. theta energy: -5.772
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: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -616.288181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.288181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.288181 (E_RNA)
where:
Base-Base interactions energy: -206.933
where: short stacking energy: -175.805
Base-Backbone interact. energy: -1.107
local terms energy: -408.248728
where:
bonds (distance) C4'-P energy: -115.603
bonds (distance) P-C4' energy: -144.789
flat angles C4'-P-C4' energy: -112.665
flat angles P-C4'-P energy: -65.808
tors. eta vs tors. theta energy: 30.616
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: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2279.450116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.450116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.450116 (E_RNA)
where:
Base-Base interactions energy: -1444.307
where: short stacking energy: -689.491
Base-Backbone interact. energy: -4.183
local terms energy: -830.960181
where:
bonds (distance) C4'-P energy: -165.398
bonds (distance) P-C4' energy: -160.827
flat angles C4'-P-C4' energy: -186.726
flat angles P-C4'-P energy: -113.404
tors. eta vs tors. theta energy: -204.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2130.138470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.138470 (E_RNA)
where:
Base-Base interactions energy: -1386.527
where: short stacking energy: -622.218
Base-Backbone interact. energy: 1.313
local terms energy: -744.924320
where:
bonds (distance) C4'-P energy: -154.961
bonds (distance) P-C4' energy: -158.045
flat angles C4'-P-C4' energy: -160.430
flat angles P-C4'-P energy: -110.208
tors. eta vs tors. theta energy: -161.281
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: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1920.365673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.365673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.365673 (E_RNA)
where:
Base-Base interactions energy: -1194.770
where: short stacking energy: -615.145
Base-Backbone interact. energy: 5.653
local terms energy: -731.249243
where:
bonds (distance) C4'-P energy: -145.088
bonds (distance) P-C4' energy: -140.317
flat angles C4'-P-C4' energy: -182.105
flat angles P-C4'-P energy: -102.909
tors. eta vs tors. theta energy: -160.830
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: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1811.754345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.754345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.754345 (E_RNA)
where:
Base-Base interactions energy: -1118.862
where: short stacking energy: -512.400
Base-Backbone interact. energy: -2.961
local terms energy: -689.931468
where:
bonds (distance) C4'-P energy: -152.072
bonds (distance) P-C4' energy: -157.067
flat angles C4'-P-C4' energy: -161.691
flat angles P-C4'-P energy: -100.788
tors. eta vs tors. theta energy: -118.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1603.595315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.595315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.595315 (E_RNA)
where:
Base-Base interactions energy: -972.311
where: short stacking energy: -483.278
Base-Backbone interact. energy: -0.678
local terms energy: -630.606767
where:
bonds (distance) C4'-P energy: -128.301
bonds (distance) P-C4' energy: -149.249
flat angles C4'-P-C4' energy: -162.774
flat angles P-C4'-P energy: -83.226
tors. eta vs tors. theta energy: -107.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1553.280440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.280440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.280440 (E_RNA)
where:
Base-Base interactions energy: -922.552
where: short stacking energy: -457.621
Base-Backbone interact. energy: -2.741
local terms energy: -627.987371
where:
bonds (distance) C4'-P energy: -147.171
bonds (distance) P-C4' energy: -153.695
flat angles C4'-P-C4' energy: -138.701
flat angles P-C4'-P energy: -97.017
tors. eta vs tors. theta energy: -91.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1406.288497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.288497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.288497 (E_RNA)
where:
Base-Base interactions energy: -850.083
where: short stacking energy: -378.831
Base-Backbone interact. energy: 5.929
local terms energy: -562.134290
where:
bonds (distance) C4'-P energy: -119.866
bonds (distance) P-C4' energy: -160.875
flat angles C4'-P-C4' energy: -137.953
flat angles P-C4'-P energy: -66.604
tors. eta vs tors. theta energy: -76.837
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: 45
Temperature: 1.250000
Total energy: -1091.417455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.417455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.417455 (E_RNA)
where:
Base-Base interactions energy: -546.821
where: short stacking energy: -299.165
Base-Backbone interact. energy: 0.655
local terms energy: -545.251160
where:
bonds (distance) C4'-P energy: -143.049
bonds (distance) P-C4' energy: -159.538
flat angles C4'-P-C4' energy: -137.181
flat angles P-C4'-P energy: -64.788
tors. eta vs tors. theta energy: -40.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -831.439004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.439004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.439004 (E_RNA)
where:
Base-Base interactions energy: -352.950
where: short stacking energy: -223.675
Base-Backbone interact. energy: -1.126
local terms energy: -477.362583
where:
bonds (distance) C4'-P energy: -125.412
bonds (distance) P-C4' energy: -155.494
flat angles C4'-P-C4' energy: -110.729
flat angles P-C4'-P energy: -75.929
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -572.476365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.476365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.476365 (E_RNA)
where:
Base-Base interactions energy: -211.518
where: short stacking energy: -167.155
Base-Backbone interact. energy: 0.521
local terms energy: -361.479539
where:
bonds (distance) C4'-P energy: -110.079
bonds (distance) P-C4' energy: -134.931
flat angles C4'-P-C4' energy: -91.892
flat angles P-C4'-P energy: -58.159
tors. eta vs tors. theta energy: 33.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2226.788358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.788358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.788358 (E_RNA)
where:
Base-Base interactions energy: -1416.861
where: short stacking energy: -708.416
Base-Backbone interact. energy: -1.817
local terms energy: -808.109900
where:
bonds (distance) C4'-P energy: -149.021
bonds (distance) P-C4' energy: -168.589
flat angles C4'-P-C4' energy: -187.783
flat angles P-C4'-P energy: -109.852
tors. eta vs tors. theta energy: -192.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2139.574565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.574565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.574565 (E_RNA)
where:
Base-Base interactions energy: -1370.539
where: short stacking energy: -627.140
Base-Backbone interact. energy: 5.688
local terms energy: -774.724287
where:
bonds (distance) C4'-P energy: -152.148
bonds (distance) P-C4' energy: -162.623
flat angles C4'-P-C4' energy: -168.071
flat angles P-C4'-P energy: -126.699
tors. eta vs tors. theta energy: -165.183
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1984.775615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.775615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.775615 (E_RNA)
where:
Base-Base interactions energy: -1214.471
where: short stacking energy: -590.107
Base-Backbone interact. energy: -2.257
local terms energy: -768.048126
where:
bonds (distance) C4'-P energy: -166.837
bonds (distance) P-C4' energy: -170.061
flat angles C4'-P-C4' energy: -179.726
flat angles P-C4'-P energy: -89.958
tors. eta vs tors. theta energy: -161.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1919.017631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.017631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.017631 (E_RNA)
where:
Base-Base interactions energy: -1228.687
where: short stacking energy: -570.496
Base-Backbone interact. energy: -3.745
local terms energy: -686.584849
where:
bonds (distance) C4'-P energy: -145.579
bonds (distance) P-C4' energy: -139.391
flat angles C4'-P-C4' energy: -153.209
flat angles P-C4'-P energy: -104.619
tors. eta vs tors. theta energy: -143.787
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1593.648091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.648091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.648091 (E_RNA)
where:
Base-Base interactions energy: -955.111
where: short stacking energy: -489.659
Base-Backbone interact. energy: 0.876
local terms energy: -639.413657
where:
bonds (distance) C4'-P energy: -144.064
bonds (distance) P-C4' energy: -153.079
flat angles C4'-P-C4' energy: -152.036
flat angles P-C4'-P energy: -70.617
tors. eta vs tors. theta energy: -119.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1554.266113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.266113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.266113 (E_RNA)
where:
Base-Base interactions energy: -966.837
where: short stacking energy: -473.484
Base-Backbone interact. energy: -0.262
local terms energy: -587.166824
where:
bonds (distance) C4'-P energy: -126.250
bonds (distance) P-C4' energy: -149.840
flat angles C4'-P-C4' energy: -133.079
flat angles P-C4'-P energy: -92.808
tors. eta vs tors. theta energy: -85.190
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1511.381023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.381023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.381023 (E_RNA)
where:
Base-Base interactions energy: -896.877
where: short stacking energy: -412.146
Base-Backbone interact. energy: 3.695
local terms energy: -618.199059
where:
bonds (distance) C4'-P energy: -158.114
bonds (distance) P-C4' energy: -155.179
flat angles C4'-P-C4' energy: -143.753
flat angles P-C4'-P energy: -68.771
tors. eta vs tors. theta energy: -92.383
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: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1083.036851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.036851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.036851 (E_RNA)
where:
Base-Base interactions energy: -554.192
where: short stacking energy: -277.242
Base-Backbone interact. energy: 0.115
local terms energy: -528.959294
where:
bonds (distance) C4'-P energy: -122.627
bonds (distance) P-C4' energy: -145.803
flat angles C4'-P-C4' energy: -140.506
flat angles P-C4'-P energy: -93.014
tors. eta vs tors. theta energy: -27.009
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: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -849.850350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.850350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.850350 (E_RNA)
where:
Base-Base interactions energy: -408.384
where: short stacking energy: -244.613
Base-Backbone interact. energy: 6.277
local terms energy: -447.743763
where:
bonds (distance) C4'-P energy: -124.921
bonds (distance) P-C4' energy: -131.822
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: 5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -576.135359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.135359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.135359 (E_RNA)
where:
Base-Base interactions energy: -192.255
where: short stacking energy: -174.824
Base-Backbone interact. energy: 2.211
local terms energy: -386.091640
where:
bonds (distance) C4'-P energy: -122.052
bonds (distance) P-C4' energy: -139.311
flat angles C4'-P-C4' energy: -103.103
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: 30.669
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: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2252.980346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.980346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.980346 (E_RNA)
where:
Base-Base interactions energy: -1454.322
where: short stacking energy: -721.036
Base-Backbone interact. energy: 3.134
local terms energy: -801.791884
where:
bonds (distance) C4'-P energy: -166.954
bonds (distance) P-C4' energy: -158.127
flat angles C4'-P-C4' energy: -167.547
flat angles P-C4'-P energy: -109.848
tors. eta vs tors. theta energy: -199.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2124.549514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.549514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.549514 (E_RNA)
where:
Base-Base interactions energy: -1384.918
where: short stacking energy: -629.222
Base-Backbone interact. energy: -4.772
local terms energy: -734.859778
where:
bonds (distance) C4'-P energy: -148.550
bonds (distance) P-C4' energy: -159.299
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -102.901
tors. eta vs tors. theta energy: -150.538
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1924.325424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.325424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.325424 (E_RNA)
where:
Base-Base interactions energy: -1204.430
where: short stacking energy: -575.860
Base-Backbone interact. energy: -1.312
local terms energy: -718.583426
where:
bonds (distance) C4'-P energy: -152.097
bonds (distance) P-C4' energy: -173.815
flat angles C4'-P-C4' energy: -157.172
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -146.589
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1917.259925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.259925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.259925 (E_RNA)
where:
Base-Base interactions energy: -1211.045
where: short stacking energy: -536.852
Base-Backbone interact. energy: 0.364
local terms energy: -706.578467
where:
bonds (distance) C4'-P energy: -141.496
bonds (distance) P-C4' energy: -160.296
flat angles C4'-P-C4' energy: -179.490
flat angles P-C4'-P energy: -98.182
tors. eta vs tors. theta energy: -127.114
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: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1515.667685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.667685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.667685 (E_RNA)
where:
Base-Base interactions energy: -914.714
where: short stacking energy: -473.026
Base-Backbone interact. energy: -2.965
local terms energy: -597.988597
where:
bonds (distance) C4'-P energy: -119.280
bonds (distance) P-C4' energy: -155.083
flat angles C4'-P-C4' energy: -136.884
flat angles P-C4'-P energy: -96.963
tors. eta vs tors. theta energy: -89.778
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1560.080045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.080045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.080045 (E_RNA)
where:
Base-Base interactions energy: -981.665
where: short stacking energy: -492.640
Base-Backbone interact. energy: -0.568
local terms energy: -577.847333
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -140.055
flat angles C4'-P-C4' energy: -135.633
flat angles P-C4'-P energy: -88.049
tors. eta vs tors. theta energy: -89.727
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1513.596996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.596996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.596996 (E_RNA)
where:
Base-Base interactions energy: -923.144
where: short stacking energy: -427.555
Base-Backbone interact. energy: -0.423
local terms energy: -590.029018
where:
bonds (distance) C4'-P energy: -148.889
bonds (distance) P-C4' energy: -133.841
flat angles C4'-P-C4' energy: -124.113
flat angles P-C4'-P energy: -90.031
tors. eta vs tors. theta energy: -93.154
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: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1172.393239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.393239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.393239 (E_RNA)
where:
Base-Base interactions energy: -641.337
where: short stacking energy: -356.547
Base-Backbone interact. energy: -2.836
local terms energy: -528.220251
where:
bonds (distance) C4'-P energy: -136.105
bonds (distance) P-C4' energy: -129.682
flat angles C4'-P-C4' energy: -137.844
flat angles P-C4'-P energy: -81.657
tors. eta vs tors. theta energy: -42.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -872.841903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.841903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.841903 (E_RNA)
where:
Base-Base interactions energy: -411.597
where: short stacking energy: -241.077
Base-Backbone interact. energy: 0.594
local terms energy: -461.839725
where:
bonds (distance) C4'-P energy: -127.871
bonds (distance) P-C4' energy: -145.914
flat angles C4'-P-C4' energy: -108.725
flat angles P-C4'-P energy: -74.379
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -607.239429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.239429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.239429 (E_RNA)
where:
Base-Base interactions energy: -229.980
where: short stacking energy: -164.856
Base-Backbone interact. energy: -2.467
local terms energy: -374.791846
where:
bonds (distance) C4'-P energy: -128.966
bonds (distance) P-C4' energy: -110.062
flat angles C4'-P-C4' energy: -120.733
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: 28.060
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2257.071457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.071457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.071457 (E_RNA)
where:
Base-Base interactions energy: -1439.934
where: short stacking energy: -666.083
Base-Backbone interact. energy: 0.211
local terms energy: -817.349005
where:
bonds (distance) C4'-P energy: -157.637
bonds (distance) P-C4' energy: -166.543
flat angles C4'-P-C4' energy: -172.015
flat angles P-C4'-P energy: -132.601
tors. eta vs tors. theta energy: -188.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2155.413492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.413492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.413492 (E_RNA)
where:
Base-Base interactions energy: -1406.274
where: short stacking energy: -613.579
Base-Backbone interact. energy: -6.810
local terms energy: -742.328781
where:
bonds (distance) C4'-P energy: -156.904
bonds (distance) P-C4' energy: -160.582
flat angles C4'-P-C4' energy: -154.577
flat angles P-C4'-P energy: -116.207
tors. eta vs tors. theta energy: -154.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1952.339779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.339779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.339779 (E_RNA)
where:
Base-Base interactions energy: -1218.073
where: short stacking energy: -594.056
Base-Backbone interact. energy: -2.360
local terms energy: -731.906974
where:
bonds (distance) C4'-P energy: -158.095
bonds (distance) P-C4' energy: -166.944
flat angles C4'-P-C4' energy: -153.241
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -167.300
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: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1957.559463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.559463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.559463 (E_RNA)
where:
Base-Base interactions energy: -1249.055
where: short stacking energy: -556.684
Base-Backbone interact. energy: 0.703
local terms energy: -709.206911
where:
bonds (distance) C4'-P energy: -146.786
bonds (distance) P-C4' energy: -148.927
flat angles C4'-P-C4' energy: -173.827
flat angles P-C4'-P energy: -96.999
tors. eta vs tors. theta energy: -142.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1633.362157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.362157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.362157 (E_RNA)
where:
Base-Base interactions energy: -1011.455
where: short stacking energy: -474.045
Base-Backbone interact. energy: -2.033
local terms energy: -619.874218
where:
bonds (distance) C4'-P energy: -141.311
bonds (distance) P-C4' energy: -148.615
flat angles C4'-P-C4' energy: -133.137
flat angles P-C4'-P energy: -96.303
tors. eta vs tors. theta energy: -100.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1425.563772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.563772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.563772 (E_RNA)
where:
Base-Base interactions energy: -831.928
where: short stacking energy: -407.935
Base-Backbone interact. energy: 0.194
local terms energy: -593.829620
where:
bonds (distance) C4'-P energy: -132.708
bonds (distance) P-C4' energy: -157.722
flat angles C4'-P-C4' energy: -139.015
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -72.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1493.925550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.925550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.925550 (E_RNA)
where:
Base-Base interactions energy: -923.486
where: short stacking energy: -436.183
Base-Backbone interact. energy: -3.622
local terms energy: -566.817556
where:
bonds (distance) C4'-P energy: -153.450
bonds (distance) P-C4' energy: -137.316
flat angles C4'-P-C4' energy: -124.789
flat angles P-C4'-P energy: -67.672
tors. eta vs tors. theta energy: -83.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1127.816310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.816310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.816310 (E_RNA)
where:
Base-Base interactions energy: -576.418
where: short stacking energy: -307.823
Base-Backbone interact. energy: -3.286
local terms energy: -548.112628
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -153.909
flat angles C4'-P-C4' energy: -129.561
flat angles P-C4'-P energy: -91.334
tors. eta vs tors. theta energy: -39.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -818.939546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.939546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.939546 (E_RNA)
where:
Base-Base interactions energy: -358.481
where: short stacking energy: -220.059
Base-Backbone interact. energy: 3.091
local terms energy: -463.549532
where:
bonds (distance) C4'-P energy: -145.451
bonds (distance) P-C4' energy: -141.467
flat angles C4'-P-C4' energy: -114.578
flat angles P-C4'-P energy: -66.825
tors. eta vs tors. theta energy: 4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -598.418874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.418874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.418874 (E_RNA)
where:
Base-Base interactions energy: -206.968
where: short stacking energy: -165.502
Base-Backbone interact. energy: 4.780
local terms energy: -396.230730
where:
bonds (distance) C4'-P energy: -138.387
bonds (distance) P-C4' energy: -128.933
flat angles C4'-P-C4' energy: -103.792
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: 23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2244.772870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.772870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.772870 (E_RNA)
where:
Base-Base interactions energy: -1425.142
where: short stacking energy: -696.113
Base-Backbone interact. energy: -2.570
local terms energy: -817.061309
where:
bonds (distance) C4'-P energy: -148.644
bonds (distance) P-C4' energy: -167.886
flat angles C4'-P-C4' energy: -176.187
flat angles P-C4'-P energy: -125.158
tors. eta vs tors. theta energy: -199.187
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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2196.082884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.082884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.082884 (E_RNA)
where:
Base-Base interactions energy: -1468.826
where: short stacking energy: -653.235
Base-Backbone interact. energy: -2.960
local terms energy: -724.296980
where:
bonds (distance) C4'-P energy: -143.397
bonds (distance) P-C4' energy: -160.674
flat angles C4'-P-C4' energy: -163.656
flat angles P-C4'-P energy: -105.745
tors. eta vs tors. theta energy: -150.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2007.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.187432 (E_RNA)
where:
Base-Base interactions energy: -1271.472
where: short stacking energy: -621.286
Base-Backbone interact. energy: -2.288
local terms energy: -733.427479
where:
bonds (distance) C4'-P energy: -158.083
bonds (distance) P-C4' energy: -154.694
flat angles C4'-P-C4' energy: -177.334
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -171.655
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: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1968.540810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.540810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.540810 (E_RNA)
where:
Base-Base interactions energy: -1262.766
where: short stacking energy: -573.630
Base-Backbone interact. energy: -4.323
local terms energy: -701.452181
where:
bonds (distance) C4'-P energy: -148.594
bonds (distance) P-C4' energy: -164.395
flat angles C4'-P-C4' energy: -149.123
flat angles P-C4'-P energy: -100.498
tors. eta vs tors. theta energy: -138.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1712.596438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.596438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.596438 (E_RNA)
where:
Base-Base interactions energy: -1051.047
where: short stacking energy: -502.852
Base-Backbone interact. energy: 3.697
local terms energy: -665.246797
where:
bonds (distance) C4'-P energy: -142.597
bonds (distance) P-C4' energy: -150.075
flat angles C4'-P-C4' energy: -153.867
flat angles P-C4'-P energy: -106.511
tors. eta vs tors. theta energy: -112.197
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: 49
Temperature: 1.150000
Total energy: -1475.995319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.995319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.995319 (E_RNA)
where:
Base-Base interactions energy: -885.300
where: short stacking energy: -407.314
Base-Backbone interact. energy: -0.144
local terms energy: -590.550562
where:
bonds (distance) C4'-P energy: -128.677
bonds (distance) P-C4' energy: -148.407
flat angles C4'-P-C4' energy: -148.711
flat angles P-C4'-P energy: -84.377
tors. eta vs tors. theta energy: -80.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1314.058840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.058840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.058840 (E_RNA)
where:
Base-Base interactions energy: -751.677
where: short stacking energy: -403.838
Base-Backbone interact. energy: -2.338
local terms energy: -560.044026
where:
bonds (distance) C4'-P energy: -133.957
bonds (distance) P-C4' energy: -137.834
flat angles C4'-P-C4' energy: -144.027
flat angles P-C4'-P energy: -81.988
tors. eta vs tors. theta energy: -62.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1265.421871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.421871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.421871 (E_RNA)
where:
Base-Base interactions energy: -715.281
where: short stacking energy: -376.831
Base-Backbone interact. energy: -1.642
local terms energy: -548.499810
where:
bonds (distance) C4'-P energy: -157.797
bonds (distance) P-C4' energy: -142.378
flat angles C4'-P-C4' energy: -134.129
flat angles P-C4'-P energy: -71.482
tors. eta vs tors. theta energy: -42.714
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: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -793.822639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.822639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.822639 (E_RNA)
where:
Base-Base interactions energy: -363.623
where: short stacking energy: -225.647
Base-Backbone interact. energy: -1.203
local terms energy: -428.996641
where:
bonds (distance) C4'-P energy: -121.035
bonds (distance) P-C4' energy: -149.327
flat angles C4'-P-C4' energy: -118.746
flat angles P-C4'-P energy: -62.737
tors. eta vs tors. theta energy: 22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -592.348702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.348702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.348702 (E_RNA)
where:
Base-Base interactions energy: -222.203
where: short stacking energy: -189.374
Base-Backbone interact. energy: 1.429
local terms energy: -371.574775
where:
bonds (distance) C4'-P energy: -115.100
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: 32.085
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2277.197392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.197392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.197392 (E_RNA)
where:
Base-Base interactions energy: -1490.954
where: short stacking energy: -667.607
Base-Backbone interact. energy: 1.396
local terms energy: -787.639413
where:
bonds (distance) C4'-P energy: -168.208
bonds (distance) P-C4' energy: -140.805
flat angles C4'-P-C4' energy: -184.356
flat angles P-C4'-P energy: -107.584
tors. eta vs tors. theta energy: -186.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2209.395962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.395962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.395962 (E_RNA)
where:
Base-Base interactions energy: -1466.293
where: short stacking energy: -639.152
Base-Backbone interact. energy: 0.502
local terms energy: -743.605566
where:
bonds (distance) C4'-P energy: -148.896
bonds (distance) P-C4' energy: -167.015
flat angles C4'-P-C4' energy: -172.399
flat angles P-C4'-P energy: -97.283
tors. eta vs tors. theta energy: -158.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2092.276610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.276610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.276610 (E_RNA)
where:
Base-Base interactions energy: -1345.869
where: short stacking energy: -635.821
Base-Backbone interact. energy: -1.769
local terms energy: -744.638308
where:
bonds (distance) C4'-P energy: -149.778
bonds (distance) P-C4' energy: -165.310
flat angles C4'-P-C4' energy: -171.418
flat angles P-C4'-P energy: -98.725
tors. eta vs tors. theta energy: -159.406
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: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1931.163492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.163492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.163492 (E_RNA)
where:
Base-Base interactions energy: -1230.341
where: short stacking energy: -580.398
Base-Backbone interact. energy: 1.888
local terms energy: -702.710430
where:
bonds (distance) C4'-P energy: -154.525
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -152.295
flat angles P-C4'-P energy: -98.996
tors. eta vs tors. theta energy: -145.474
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: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1797.767930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.767930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.767930 (E_RNA)
where:
Base-Base interactions energy: -1107.398
where: short stacking energy: -543.745
Base-Backbone interact. energy: -1.892
local terms energy: -688.478120
where:
bonds (distance) C4'-P energy: -157.244
bonds (distance) P-C4' energy: -143.377
flat angles C4'-P-C4' energy: -155.583
flat angles P-C4'-P energy: -104.300
tors. eta vs tors. theta energy: -127.974
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: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1544.201221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.201221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.201221 (E_RNA)
where:
Base-Base interactions energy: -951.944
where: short stacking energy: -455.818
Base-Backbone interact. energy: 0.782
local terms energy: -593.039598
where:
bonds (distance) C4'-P energy: -135.334
bonds (distance) P-C4' energy: -146.381
flat angles C4'-P-C4' energy: -145.733
flat angles P-C4'-P energy: -75.939
tors. eta vs tors. theta energy: -89.653
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: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1331.598467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.598467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.598467 (E_RNA)
where:
Base-Base interactions energy: -781.468
where: short stacking energy: -379.903
Base-Backbone interact. energy: 0.828
local terms energy: -550.959224
where:
bonds (distance) C4'-P energy: -134.434
bonds (distance) P-C4' energy: -135.839
flat angles C4'-P-C4' energy: -131.959
flat angles P-C4'-P energy: -92.445
tors. eta vs tors. theta energy: -56.282
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: 50
Temperature: 1.250000
Total energy: -1164.041973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.041973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.041973 (E_RNA)
where:
Base-Base interactions energy: -659.412
where: short stacking energy: -303.370
Base-Backbone interact. energy: -0.226
local terms energy: -504.404627
where:
bonds (distance) C4'-P energy: -124.977
bonds (distance) P-C4' energy: -143.470
flat angles C4'-P-C4' energy: -121.442
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -811.810367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.810367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.810367 (E_RNA)
where:
Base-Base interactions energy: -366.216
where: short stacking energy: -221.438
Base-Backbone interact. energy: -4.031
local terms energy: -441.563579
where:
bonds (distance) C4'-P energy: -109.362
bonds (distance) P-C4' energy: -138.897
flat angles C4'-P-C4' energy: -119.256
flat angles P-C4'-P energy: -76.174
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -715.635072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.635072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.635072 (E_RNA)
where:
Base-Base interactions energy: -301.116
where: short stacking energy: -177.936
Base-Backbone interact. energy: -1.442
local terms energy: -413.077359
where:
bonds (distance) C4'-P energy: -125.957
bonds (distance) P-C4' energy: -122.042
flat angles C4'-P-C4' energy: -106.782
flat angles P-C4'-P energy: -70.318
tors. eta vs tors. theta energy: 12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2278.510537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.510537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.510537 (E_RNA)
where:
Base-Base interactions energy: -1482.934
where: short stacking energy: -697.573
Base-Backbone interact. energy: -4.577
local terms energy: -790.999458
where:
bonds (distance) C4'-P energy: -168.012
bonds (distance) P-C4' energy: -137.672
flat angles C4'-P-C4' energy: -182.146
flat angles P-C4'-P energy: -111.107
tors. eta vs tors. theta energy: -192.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2238.974791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.974791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.974791 (E_RNA)
where:
Base-Base interactions energy: -1480.667
where: short stacking energy: -657.127
Base-Backbone interact. energy: 5.986
local terms energy: -764.293810
where:
bonds (distance) C4'-P energy: -148.410
bonds (distance) P-C4' energy: -161.282
flat angles C4'-P-C4' energy: -182.115
flat angles P-C4'-P energy: -109.409
tors. eta vs tors. theta energy: -163.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2112.606716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.606716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.606716 (E_RNA)
where:
Base-Base interactions energy: -1382.457
where: short stacking energy: -634.939
Base-Backbone interact. energy: -1.010
local terms energy: -729.139485
where:
bonds (distance) C4'-P energy: -147.212
bonds (distance) P-C4' energy: -162.228
flat angles C4'-P-C4' energy: -168.003
flat angles P-C4'-P energy: -97.394
tors. eta vs tors. theta energy: -154.303
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: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1946.524574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.524574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.524574 (E_RNA)
where:
Base-Base interactions energy: -1223.782
where: short stacking energy: -539.036
Base-Backbone interact. energy: 4.693
local terms energy: -727.436154
where:
bonds (distance) C4'-P energy: -161.519
bonds (distance) P-C4' energy: -167.391
flat angles C4'-P-C4' energy: -183.318
flat angles P-C4'-P energy: -85.539
tors. eta vs tors. theta energy: -129.670
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: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1851.669298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.669298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.669298 (E_RNA)
where:
Base-Base interactions energy: -1179.728
where: short stacking energy: -544.276
Base-Backbone interact. energy: -0.186
local terms energy: -671.755093
where:
bonds (distance) C4'-P energy: -128.043
bonds (distance) P-C4' energy: -144.257
flat angles C4'-P-C4' energy: -168.305
flat angles P-C4'-P energy: -103.891
tors. eta vs tors. theta energy: -127.259
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: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1524.865975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.865975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.865975 (E_RNA)
where:
Base-Base interactions energy: -911.329
where: short stacking energy: -469.439
Base-Backbone interact. energy: -3.968
local terms energy: -609.569103
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -152.992
flat angles C4'-P-C4' energy: -143.828
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -95.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1293.285082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.285082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.285082 (E_RNA)
where:
Base-Base interactions energy: -753.928
where: short stacking energy: -372.584
Base-Backbone interact. energy: -1.461
local terms energy: -537.895860
where:
bonds (distance) C4'-P energy: -108.942
bonds (distance) P-C4' energy: -139.537
flat angles C4'-P-C4' energy: -142.240
flat angles P-C4'-P energy: -93.777
tors. eta vs tors. theta energy: -53.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1079.340581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.340581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.340581 (E_RNA)
where:
Base-Base interactions energy: -586.482
where: short stacking energy: -338.585
Base-Backbone interact. energy: -1.454
local terms energy: -491.404287
where:
bonds (distance) C4'-P energy: -113.804
bonds (distance) P-C4' energy: -142.417
flat angles C4'-P-C4' energy: -136.221
flat angles P-C4'-P energy: -74.390
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -794.727687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.727687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.727687 (E_RNA)
where:
Base-Base interactions energy: -353.180
where: short stacking energy: -247.196
Base-Backbone interact. energy: 0.363
local terms energy: -441.910830
where:
bonds (distance) C4'-P energy: -126.846
bonds (distance) P-C4' energy: -133.707
flat angles C4'-P-C4' energy: -123.650
flat angles P-C4'-P energy: -63.095
tors. eta vs tors. theta energy: 5.387
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -643.073558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.073558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.073558 (E_RNA)
where:
Base-Base interactions energy: -276.869
where: short stacking energy: -183.691
Base-Backbone interact. energy: 2.993
local terms energy: -369.198020
where:
bonds (distance) C4'-P energy: -121.448
bonds (distance) P-C4' energy: -139.661
flat angles C4'-P-C4' energy: -99.398
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: 19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2306.554193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.554193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.554193 (E_RNA)
where:
Base-Base interactions energy: -1506.652
where: short stacking energy: -687.060
Base-Backbone interact. energy: -3.934
local terms energy: -795.967746
where:
bonds (distance) C4'-P energy: -169.076
bonds (distance) P-C4' energy: -152.973
flat angles C4'-P-C4' energy: -162.883
flat angles P-C4'-P energy: -111.144
tors. eta vs tors. theta energy: -199.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2259.152121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.152121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.152121 (E_RNA)
where:
Base-Base interactions energy: -1485.224
where: short stacking energy: -643.683
Base-Backbone interact. energy: -2.567
local terms energy: -771.361033
where:
bonds (distance) C4'-P energy: -164.978
bonds (distance) P-C4' energy: -173.279
flat angles C4'-P-C4' energy: -179.057
flat angles P-C4'-P energy: -97.922
tors. eta vs tors. theta energy: -156.125
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: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2153.839747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.839747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.839747 (E_RNA)
where:
Base-Base interactions energy: -1402.871
where: short stacking energy: -649.596
Base-Backbone interact. energy: -0.398
local terms energy: -750.569932
where:
bonds (distance) C4'-P energy: -160.735
bonds (distance) P-C4' energy: -139.982
flat angles C4'-P-C4' energy: -180.878
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -184.125
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: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1839.242299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.242299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.242299 (E_RNA)
where:
Base-Base interactions energy: -1144.448
where: short stacking energy: -553.512
Base-Backbone interact. energy: -2.431
local terms energy: -692.362578
where:
bonds (distance) C4'-P energy: -155.363
bonds (distance) P-C4' energy: -141.072
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -100.996
tors. eta vs tors. theta energy: -146.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1889.152845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.152845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.152845 (E_RNA)
where:
Base-Base interactions energy: -1206.666
where: short stacking energy: -592.471
Base-Backbone interact. energy: -3.856
local terms energy: -678.631211
where:
bonds (distance) C4'-P energy: -142.036
bonds (distance) P-C4' energy: -128.128
flat angles C4'-P-C4' energy: -170.409
flat angles P-C4'-P energy: -82.342
tors. eta vs tors. theta energy: -155.715
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1580.393852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.393852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.393852 (E_RNA)
where:
Base-Base interactions energy: -971.964
where: short stacking energy: -448.383
Base-Backbone interact. energy: -1.436
local terms energy: -606.993381
where:
bonds (distance) C4'-P energy: -130.035
bonds (distance) P-C4' energy: -155.818
flat angles C4'-P-C4' energy: -138.678
flat angles P-C4'-P energy: -90.605
tors. eta vs tors. theta energy: -91.857
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: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1338.436010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.436010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.436010 (E_RNA)
where:
Base-Base interactions energy: -781.512
where: short stacking energy: -379.204
Base-Backbone interact. energy: -0.525
local terms energy: -556.398966
where:
bonds (distance) C4'-P energy: -149.604
bonds (distance) P-C4' energy: -136.239
flat angles C4'-P-C4' energy: -134.362
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -66.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -991.682246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.682246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.682246 (E_RNA)
where:
Base-Base interactions energy: -518.937
where: short stacking energy: -288.090
Base-Backbone interact. energy: 8.397
local terms energy: -481.141945
where:
bonds (distance) C4'-P energy: -131.738
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -125.751
flat angles P-C4'-P energy: -61.336
tors. eta vs tors. theta energy: -43.273
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: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -829.826276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.826276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.826276 (E_RNA)
where:
Base-Base interactions energy: -432.359
where: short stacking energy: -245.084
Base-Backbone interact. energy: 4.478
local terms energy: -401.945101
where:
bonds (distance) C4'-P energy: -121.505
bonds (distance) P-C4' energy: -125.059
flat angles C4'-P-C4' energy: -93.640
flat angles P-C4'-P energy: -74.312
tors. eta vs tors. theta energy: 12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -710.119394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.119394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.119394 (E_RNA)
where:
Base-Base interactions energy: -303.063
where: short stacking energy: -195.307
Base-Backbone interact. energy: 1.055
local terms energy: -408.111171
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -119.041
flat angles C4'-P-C4' energy: -131.040
flat angles P-C4'-P energy: -57.875
tors. eta vs tors. theta energy: 24.298
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: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2298.337844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.337844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.337844 (E_RNA)
where:
Base-Base interactions energy: -1473.358
where: short stacking energy: -689.138
Base-Backbone interact. energy: -4.414
local terms energy: -820.564999
where:
bonds (distance) C4'-P energy: -167.387
bonds (distance) P-C4' energy: -166.602
flat angles C4'-P-C4' energy: -176.316
flat angles P-C4'-P energy: -105.496
tors. eta vs tors. theta energy: -204.763
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2245.031080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.031080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.031080 (E_RNA)
where:
Base-Base interactions energy: -1467.046
where: short stacking energy: -641.363
Base-Backbone interact. energy: -0.571
local terms energy: -777.414031
where:
bonds (distance) C4'-P energy: -155.584
bonds (distance) P-C4' energy: -170.762
flat angles C4'-P-C4' energy: -173.522
flat angles P-C4'-P energy: -112.039
tors. eta vs tors. theta energy: -165.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2170.775129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.775129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.775129 (E_RNA)
where:
Base-Base interactions energy: -1424.633
where: short stacking energy: -650.819
Base-Backbone interact. energy: -2.495
local terms energy: -743.647709
where:
bonds (distance) C4'-P energy: -152.386
bonds (distance) P-C4' energy: -142.590
flat angles C4'-P-C4' energy: -172.542
flat angles P-C4'-P energy: -97.423
tors. eta vs tors. theta energy: -178.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1963.497453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.497453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.497453 (E_RNA)
where:
Base-Base interactions energy: -1237.373
where: short stacking energy: -583.815
Base-Backbone interact. energy: 0.022
local terms energy: -726.146127
where:
bonds (distance) C4'-P energy: -159.365
bonds (distance) P-C4' energy: -145.358
flat angles C4'-P-C4' energy: -167.462
flat angles P-C4'-P energy: -111.260
tors. eta vs tors. theta energy: -142.701
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1753.955726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.955726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.955726 (E_RNA)
where:
Base-Base interactions energy: -1115.375
where: short stacking energy: -502.877
Base-Backbone interact. energy: -2.825
local terms energy: -635.755057
where:
bonds (distance) C4'-P energy: -152.447
bonds (distance) P-C4' energy: -137.412
flat angles C4'-P-C4' energy: -158.198
flat angles P-C4'-P energy: -74.761
tors. eta vs tors. theta energy: -112.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1563.473010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.473010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.473010 (E_RNA)
where:
Base-Base interactions energy: -922.345
where: short stacking energy: -431.401
Base-Backbone interact. energy: -2.580
local terms energy: -638.548125
where:
bonds (distance) C4'-P energy: -158.083
bonds (distance) P-C4' energy: -161.044
flat angles C4'-P-C4' energy: -143.320
flat angles P-C4'-P energy: -79.079
tors. eta vs tors. theta energy: -97.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1343.661779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.661779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.661779 (E_RNA)
where:
Base-Base interactions energy: -761.374
where: short stacking energy: -390.122
Base-Backbone interact. energy: 4.159
local terms energy: -586.446450
where:
bonds (distance) C4'-P energy: -145.477
bonds (distance) P-C4' energy: -151.767
flat angles C4'-P-C4' energy: -121.735
flat angles P-C4'-P energy: -89.191
tors. eta vs tors. theta energy: -78.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1014.708103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.708103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.708103 (E_RNA)
where:
Base-Base interactions energy: -537.129
where: short stacking energy: -264.459
Base-Backbone interact. energy: -1.717
local terms energy: -475.862325
where:
bonds (distance) C4'-P energy: -149.109
bonds (distance) P-C4' energy: -154.695
flat angles C4'-P-C4' energy: -119.191
flat angles P-C4'-P energy: -61.269
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: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -812.661600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.661600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.661600 (E_RNA)
where:
Base-Base interactions energy: -390.004
where: short stacking energy: -234.866
Base-Backbone interact. energy: -0.667
local terms energy: -421.989859
where:
bonds (distance) C4'-P energy: -136.197
bonds (distance) P-C4' energy: -121.188
flat angles C4'-P-C4' energy: -109.117
flat angles P-C4'-P energy: -52.646
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -707.721435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.721435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.721435 (E_RNA)
where:
Base-Base interactions energy: -266.165
where: short stacking energy: -165.631
Base-Backbone interact. energy: 3.221
local terms energy: -444.776721
where:
bonds (distance) C4'-P energy: -121.108
bonds (distance) P-C4' energy: -152.092
flat angles C4'-P-C4' energy: -127.791
flat angles P-C4'-P energy: -68.279
tors. eta vs tors. theta energy: 24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2280.774814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.774814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.774814 (E_RNA)
where:
Base-Base interactions energy: -1477.976
where: short stacking energy: -687.346
Base-Backbone interact. energy: -4.404
local terms energy: -798.394321
where:
bonds (distance) C4'-P energy: -144.539
bonds (distance) P-C4' energy: -161.901
flat angles C4'-P-C4' energy: -183.059
flat angles P-C4'-P energy: -116.456
tors. eta vs tors. theta energy: -192.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2271.777883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.777883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.777883 (E_RNA)
where:
Base-Base interactions energy: -1487.193
where: short stacking energy: -647.945
Base-Backbone interact. energy: -3.372
local terms energy: -781.213243
where:
bonds (distance) C4'-P energy: -154.054
bonds (distance) P-C4' energy: -154.648
flat angles C4'-P-C4' energy: -182.224
flat angles P-C4'-P energy: -113.239
tors. eta vs tors. theta energy: -177.049
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: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2212.035255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.035255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.035255 (E_RNA)
where:
Base-Base interactions energy: -1433.062
where: short stacking energy: -657.611
Base-Backbone interact. energy: -0.202
local terms energy: -778.771116
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -155.855
flat angles C4'-P-C4' energy: -173.899
flat angles P-C4'-P energy: -111.120
tors. eta vs tors. theta energy: -189.486
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: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1976.043946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.043946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.043946 (E_RNA)
where:
Base-Base interactions energy: -1268.193
where: short stacking energy: -615.435
Base-Backbone interact. energy: -3.816
local terms energy: -704.034863
where:
bonds (distance) C4'-P energy: -148.372
bonds (distance) P-C4' energy: -158.759
flat angles C4'-P-C4' energy: -158.987
flat angles P-C4'-P energy: -86.272
tors. eta vs tors. theta energy: -151.645
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1794.401862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.401862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.401862 (E_RNA)
where:
Base-Base interactions energy: -1107.707
where: short stacking energy: -503.838
Base-Backbone interact. energy: 4.435
local terms energy: -691.129811
where:
bonds (distance) C4'-P energy: -167.184
bonds (distance) P-C4' energy: -144.675
flat angles C4'-P-C4' energy: -160.030
flat angles P-C4'-P energy: -92.017
tors. eta vs tors. theta energy: -127.224
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1574.258397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.258397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.258397 (E_RNA)
where:
Base-Base interactions energy: -984.605
where: short stacking energy: -488.043
Base-Backbone interact. energy: -2.742
local terms energy: -586.911428
where:
bonds (distance) C4'-P energy: -117.055
bonds (distance) P-C4' energy: -150.468
flat angles C4'-P-C4' energy: -149.813
flat angles P-C4'-P energy: -67.729
tors. eta vs tors. theta energy: -101.845
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: 54
Temperature: 1.200000
Total energy: -1417.719949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.719949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.719949 (E_RNA)
where:
Base-Base interactions energy: -832.087
where: short stacking energy: -419.898
Base-Backbone interact. energy: -1.061
local terms energy: -584.572356
where:
bonds (distance) C4'-P energy: -135.266
bonds (distance) P-C4' energy: -139.760
flat angles C4'-P-C4' energy: -132.365
flat angles P-C4'-P energy: -87.808
tors. eta vs tors. theta energy: -89.373
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: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1023.024043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.024043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.024043 (E_RNA)
where:
Base-Base interactions energy: -529.948
where: short stacking energy: -277.334
Base-Backbone interact. energy: -0.373
local terms energy: -492.703028
where:
bonds (distance) C4'-P energy: -152.355
bonds (distance) P-C4' energy: -135.316
flat angles C4'-P-C4' energy: -119.261
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -812.127965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.127965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.127965 (E_RNA)
where:
Base-Base interactions energy: -374.455
where: short stacking energy: -236.016
Base-Backbone interact. energy: 0.153
local terms energy: -437.826194
where:
bonds (distance) C4'-P energy: -111.481
bonds (distance) P-C4' energy: -125.474
flat angles C4'-P-C4' energy: -123.206
flat angles P-C4'-P energy: -71.707
tors. eta vs tors. theta energy: -5.958
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -657.231485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.231485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.231485 (E_RNA)
where:
Base-Base interactions energy: -249.338
where: short stacking energy: -180.401
Base-Backbone interact. energy: -0.911
local terms energy: -406.982980
where:
bonds (distance) C4'-P energy: -138.122
bonds (distance) P-C4' energy: -138.865
flat angles C4'-P-C4' energy: -109.075
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: 32.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2322.795948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.795948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.795948 (E_RNA)
where:
Base-Base interactions energy: -1493.294
where: short stacking energy: -706.927
Base-Backbone interact. energy: -2.740
local terms energy: -826.762072
where:
bonds (distance) C4'-P energy: -169.214
bonds (distance) P-C4' energy: -146.453
flat angles C4'-P-C4' energy: -190.158
flat angles P-C4'-P energy: -120.239
tors. eta vs tors. theta energy: -200.698
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2282.667496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.667496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.667496 (E_RNA)
where:
Base-Base interactions energy: -1526.910
where: short stacking energy: -647.968
Base-Backbone interact. energy: -0.958
local terms energy: -754.799493
where:
bonds (distance) C4'-P energy: -163.598
bonds (distance) P-C4' energy: -167.606
flat angles C4'-P-C4' energy: -156.885
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -159.901
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: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2192.599917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.599917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.599917 (E_RNA)
where:
Base-Base interactions energy: -1449.986
where: short stacking energy: -652.188
Base-Backbone interact. energy: -3.305
local terms energy: -739.309122
where:
bonds (distance) C4'-P energy: -138.721
bonds (distance) P-C4' energy: -154.213
flat angles C4'-P-C4' energy: -165.044
flat angles P-C4'-P energy: -101.477
tors. eta vs tors. theta energy: -179.854
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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2052.168216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.168216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.168216 (E_RNA)
where:
Base-Base interactions energy: -1304.214
where: short stacking energy: -612.973
Base-Backbone interact. energy: -3.415
local terms energy: -744.539747
where:
bonds (distance) C4'-P energy: -139.730
bonds (distance) P-C4' energy: -155.340
flat angles C4'-P-C4' energy: -175.609
flat angles P-C4'-P energy: -104.102
tors. eta vs tors. theta energy: -169.759
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: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1826.050158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.050158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.050158 (E_RNA)
where:
Base-Base interactions energy: -1140.539
where: short stacking energy: -547.135
Base-Backbone interact. energy: -1.103
local terms energy: -684.408106
where:
bonds (distance) C4'-P energy: -157.715
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -151.308
flat angles P-C4'-P energy: -93.444
tors. eta vs tors. theta energy: -147.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1597.102883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.102883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.102883 (E_RNA)
where:
Base-Base interactions energy: -973.648
where: short stacking energy: -462.080
Base-Backbone interact. energy: 1.543
local terms energy: -624.998296
where:
bonds (distance) C4'-P energy: -150.519
bonds (distance) P-C4' energy: -144.308
flat angles C4'-P-C4' energy: -150.883
flat angles P-C4'-P energy: -70.816
tors. eta vs tors. theta energy: -108.472
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: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1370.164641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.164641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.164641 (E_RNA)
where:
Base-Base interactions energy: -767.418
where: short stacking energy: -385.023
Base-Backbone interact. energy: 2.287
local terms energy: -605.033398
where:
bonds (distance) C4'-P energy: -137.223
bonds (distance) P-C4' energy: -157.128
flat angles C4'-P-C4' energy: -154.883
flat angles P-C4'-P energy: -82.708
tors. eta vs tors. theta energy: -73.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -991.701653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.701653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.701653 (E_RNA)
where:
Base-Base interactions energy: -518.875
where: short stacking energy: -308.671
Base-Backbone interact. energy: 2.894
local terms energy: -475.719903
where:
bonds (distance) C4'-P energy: -110.854
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -121.343
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -34.309
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -891.193772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.193772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.193772 (E_RNA)
where:
Base-Base interactions energy: -417.865
where: short stacking energy: -270.737
Base-Backbone interact. energy: -1.639
local terms energy: -471.689284
where:
bonds (distance) C4'-P energy: -154.528
bonds (distance) P-C4' energy: -142.258
flat angles C4'-P-C4' energy: -96.895
flat angles P-C4'-P energy: -57.827
tors. eta vs tors. theta energy: -20.181
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -711.612421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.612421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.612421 (E_RNA)
where:
Base-Base interactions energy: -301.487
where: short stacking energy: -212.965
Base-Backbone interact. energy: -0.033
local terms energy: -410.092278
where:
bonds (distance) C4'-P energy: -139.102
bonds (distance) P-C4' energy: -132.660
flat angles C4'-P-C4' energy: -118.462
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: 16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2356.010859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.010859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.010859 (E_RNA)
where:
Base-Base interactions energy: -1531.739
where: short stacking energy: -721.530
Base-Backbone interact. energy: -5.734
local terms energy: -818.538172
where:
bonds (distance) C4'-P energy: -146.911
bonds (distance) P-C4' energy: -167.371
flat angles C4'-P-C4' energy: -167.653
flat angles P-C4'-P energy: -119.739
tors. eta vs tors. theta energy: -216.864
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: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2259.642073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.642073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.642073 (E_RNA)
where:
Base-Base interactions energy: -1527.874
where: short stacking energy: -620.920
Base-Backbone interact. energy: -0.200
local terms energy: -731.567759
where:
bonds (distance) C4'-P energy: -159.098
bonds (distance) P-C4' energy: -150.915
flat angles C4'-P-C4' energy: -156.841
flat angles P-C4'-P energy: -107.810
tors. eta vs tors. theta energy: -156.904
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: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2195.341889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.341889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.341889 (E_RNA)
where:
Base-Base interactions energy: -1448.055
where: short stacking energy: -668.673
Base-Backbone interact. energy: 2.409
local terms energy: -749.695390
where:
bonds (distance) C4'-P energy: -149.755
bonds (distance) P-C4' energy: -144.575
flat angles C4'-P-C4' energy: -174.994
flat angles P-C4'-P energy: -105.202
tors. eta vs tors. theta energy: -175.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2050.087198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.087198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.087198 (E_RNA)
where:
Base-Base interactions energy: -1304.058
where: short stacking energy: -639.667
Base-Backbone interact. energy: -0.963
local terms energy: -745.066609
where:
bonds (distance) C4'-P energy: -156.133
bonds (distance) P-C4' energy: -136.649
flat angles C4'-P-C4' energy: -153.717
flat angles P-C4'-P energy: -115.647
tors. eta vs tors. theta energy: -182.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1779.594467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.594467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.594467 (E_RNA)
where:
Base-Base interactions energy: -1115.216
where: short stacking energy: -515.708
Base-Backbone interact. energy: -2.873
local terms energy: -661.505392
where:
bonds (distance) C4'-P energy: -129.614
bonds (distance) P-C4' energy: -150.303
flat angles C4'-P-C4' energy: -144.918
flat angles P-C4'-P energy: -95.255
tors. eta vs tors. theta energy: -141.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1560.930952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.930952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.930952 (E_RNA)
where:
Base-Base interactions energy: -953.752
where: short stacking energy: -487.035
Base-Backbone interact. energy: -4.182
local terms energy: -602.996248
where:
bonds (distance) C4'-P energy: -146.492
bonds (distance) P-C4' energy: -128.466
flat angles C4'-P-C4' energy: -131.003
flat angles P-C4'-P energy: -97.736
tors. eta vs tors. theta energy: -99.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1394.923432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.923432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.923432 (E_RNA)
where:
Base-Base interactions energy: -817.988
where: short stacking energy: -414.903
Base-Backbone interact. energy: 1.319
local terms energy: -578.254272
where:
bonds (distance) C4'-P energy: -156.551
bonds (distance) P-C4' energy: -132.735
flat angles C4'-P-C4' energy: -146.748
flat angles P-C4'-P energy: -72.684
tors. eta vs tors. theta energy: -69.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -904.831265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.831265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.831265 (E_RNA)
where:
Base-Base interactions energy: -445.501
where: short stacking energy: -274.235
Base-Backbone interact. energy: 0.196
local terms energy: -459.526707
where:
bonds (distance) C4'-P energy: -140.732
bonds (distance) P-C4' energy: -125.827
flat angles C4'-P-C4' energy: -124.712
flat angles P-C4'-P energy: -67.138
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -881.179919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.179919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.179919 (E_RNA)
where:
Base-Base interactions energy: -450.748
where: short stacking energy: -229.574
Base-Backbone interact. energy: -0.045
local terms energy: -430.387238
where:
bonds (distance) C4'-P energy: -116.775
bonds (distance) P-C4' energy: -132.583
flat angles C4'-P-C4' energy: -122.036
flat angles P-C4'-P energy: -62.572
tors. eta vs tors. theta energy: 3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -728.419914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.419914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.419914 (E_RNA)
where:
Base-Base interactions energy: -333.436
where: short stacking energy: -207.693
Base-Backbone interact. energy: 1.988
local terms energy: -396.971783
where:
bonds (distance) C4'-P energy: -93.889
bonds (distance) P-C4' energy: -120.620
flat angles C4'-P-C4' energy: -121.134
flat angles P-C4'-P energy: -80.653
tors. eta vs tors. theta energy: 19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2348.580701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.580701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.580701 (E_RNA)
where:
Base-Base interactions energy: -1506.798
where: short stacking energy: -710.500
Base-Backbone interact. energy: -5.904
local terms energy: -835.878804
where:
bonds (distance) C4'-P energy: -163.522
bonds (distance) P-C4' energy: -175.820
flat angles C4'-P-C4' energy: -187.004
flat angles P-C4'-P energy: -107.339
tors. eta vs tors. theta energy: -202.193
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2256.400873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.400873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.400873 (E_RNA)
where:
Base-Base interactions energy: -1501.971
where: short stacking energy: -656.482
Base-Backbone interact. energy: -3.783
local terms energy: -750.646757
where:
bonds (distance) C4'-P energy: -148.873
bonds (distance) P-C4' energy: -156.151
flat angles C4'-P-C4' energy: -167.199
flat angles P-C4'-P energy: -119.501
tors. eta vs tors. theta energy: -158.923
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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2150.780385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.780385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.780385 (E_RNA)
where:
Base-Base interactions energy: -1396.428
where: short stacking energy: -642.899
Base-Backbone interact. energy: -2.463
local terms energy: -751.889888
where:
bonds (distance) C4'-P energy: -152.240
bonds (distance) P-C4' energy: -157.837
flat angles C4'-P-C4' energy: -168.003
flat angles P-C4'-P energy: -95.351
tors. eta vs tors. theta energy: -178.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2066.928096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.928096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.928096 (E_RNA)
where:
Base-Base interactions energy: -1337.437
where: short stacking energy: -635.000
Base-Backbone interact. energy: -3.182
local terms energy: -726.309228
where:
bonds (distance) C4'-P energy: -128.416
bonds (distance) P-C4' energy: -152.172
flat angles C4'-P-C4' energy: -154.279
flat angles P-C4'-P energy: -108.060
tors. eta vs tors. theta energy: -183.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1752.055640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.055640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.055640 (E_RNA)
where:
Base-Base interactions energy: -1097.699
where: short stacking energy: -510.751
Base-Backbone interact. energy: -4.149
local terms energy: -650.207385
where:
bonds (distance) C4'-P energy: -135.780
bonds (distance) P-C4' energy: -153.914
flat angles C4'-P-C4' energy: -148.011
flat angles P-C4'-P energy: -101.381
tors. eta vs tors. theta energy: -111.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1598.242807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.242807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.242807 (E_RNA)
where:
Base-Base interactions energy: -952.959
where: short stacking energy: -477.706
Base-Backbone interact. energy: 2.512
local terms energy: -647.795834
where:
bonds (distance) C4'-P energy: -157.480
bonds (distance) P-C4' energy: -155.446
flat angles C4'-P-C4' energy: -139.001
flat angles P-C4'-P energy: -78.082
tors. eta vs tors. theta energy: -117.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1344.621107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.621107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.621107 (E_RNA)
where:
Base-Base interactions energy: -749.932
where: short stacking energy: -390.974
Base-Backbone interact. energy: -3.374
local terms energy: -591.314894
where:
bonds (distance) C4'-P energy: -124.521
bonds (distance) P-C4' energy: -129.805
flat angles C4'-P-C4' energy: -152.508
flat angles P-C4'-P energy: -103.971
tors. eta vs tors. theta energy: -80.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -928.334269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.334269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.334269 (E_RNA)
where:
Base-Base interactions energy: -456.085
where: short stacking energy: -262.135
Base-Backbone interact. energy: 5.482
local terms energy: -477.730707
where:
bonds (distance) C4'-P energy: -141.439
bonds (distance) P-C4' energy: -126.402
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -21.651
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: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -892.103214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.103214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.103214 (E_RNA)
where:
Base-Base interactions energy: -446.578
where: short stacking energy: -278.420
Base-Backbone interact. energy: -0.769
local terms energy: -444.755810
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -129.129
flat angles C4'-P-C4' energy: -120.783
flat angles P-C4'-P energy: -72.839
tors. eta vs tors. theta energy: -25.986
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -711.487246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.487246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.487246 (E_RNA)
where:
Base-Base interactions energy: -316.375
where: short stacking energy: -183.243
Base-Backbone interact. energy: 10.237
local terms energy: -405.349303
where:
bonds (distance) C4'-P energy: -124.257
bonds (distance) P-C4' energy: -115.065
flat angles C4'-P-C4' energy: -110.889
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: 14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2353.920551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.920551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.920551 (E_RNA)
where:
Base-Base interactions energy: -1537.880
where: short stacking energy: -707.779
Base-Backbone interact. energy: -0.678
local terms energy: -815.362112
where:
bonds (distance) C4'-P energy: -155.203
bonds (distance) P-C4' energy: -154.965
flat angles C4'-P-C4' energy: -185.870
flat angles P-C4'-P energy: -115.804
tors. eta vs tors. theta energy: -203.520
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2213.433876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.433876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.433876 (E_RNA)
where:
Base-Base interactions energy: -1435.794
where: short stacking energy: -640.141
Base-Backbone interact. energy: -1.626
local terms energy: -776.013414
where:
bonds (distance) C4'-P energy: -160.935
bonds (distance) P-C4' energy: -158.859
flat angles C4'-P-C4' energy: -175.327
flat angles P-C4'-P energy: -110.517
tors. eta vs tors. theta energy: -170.376
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2187.159658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.159658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.159658 (E_RNA)
where:
Base-Base interactions energy: -1391.180
where: short stacking energy: -657.716
Base-Backbone interact. energy: 0.144
local terms energy: -796.122884
where:
bonds (distance) C4'-P energy: -165.267
bonds (distance) P-C4' energy: -164.921
flat angles C4'-P-C4' energy: -173.400
flat angles P-C4'-P energy: -110.457
tors. eta vs tors. theta energy: -182.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2108.298505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.298505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.298505 (E_RNA)
where:
Base-Base interactions energy: -1329.440
where: short stacking energy: -645.663
Base-Backbone interact. energy: -2.259
local terms energy: -776.599838
where:
bonds (distance) C4'-P energy: -160.776
bonds (distance) P-C4' energy: -146.983
flat angles C4'-P-C4' energy: -179.132
flat angles P-C4'-P energy: -112.900
tors. eta vs tors. theta energy: -176.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1689.503234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.503234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.503234 (E_RNA)
where:
Base-Base interactions energy: -1047.659
where: short stacking energy: -475.506
Base-Backbone interact. energy: -6.053
local terms energy: -635.791932
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -163.691
flat angles C4'-P-C4' energy: -153.143
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -112.136
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1625.339494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.339494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.339494 (E_RNA)
where:
Base-Base interactions energy: -1001.400
where: short stacking energy: -487.446
Base-Backbone interact. energy: -0.528
local terms energy: -623.411600
where:
bonds (distance) C4'-P energy: -148.389
bonds (distance) P-C4' energy: -128.109
flat angles C4'-P-C4' energy: -139.829
flat angles P-C4'-P energy: -101.616
tors. eta vs tors. theta energy: -105.469
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: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1325.321750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.321750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.321750 (E_RNA)
where:
Base-Base interactions energy: -751.145
where: short stacking energy: -385.374
Base-Backbone interact. energy: -1.352
local terms energy: -572.824330
where:
bonds (distance) C4'-P energy: -127.475
bonds (distance) P-C4' energy: -148.603
flat angles C4'-P-C4' energy: -140.360
flat angles P-C4'-P energy: -94.850
tors. eta vs tors. theta energy: -61.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1008.750120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.750120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.750120 (E_RNA)
where:
Base-Base interactions energy: -507.024
where: short stacking energy: -274.868
Base-Backbone interact. energy: -0.781
local terms energy: -500.945583
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -129.523
flat angles C4'-P-C4' energy: -122.688
flat angles P-C4'-P energy: -89.064
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -855.337192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.337192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.337192 (E_RNA)
where:
Base-Base interactions energy: -387.480
where: short stacking energy: -229.815
Base-Backbone interact. energy: 0.967
local terms energy: -468.824980
where:
bonds (distance) C4'-P energy: -145.155
bonds (distance) P-C4' energy: -128.020
flat angles C4'-P-C4' energy: -132.327
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: 7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -617.696011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.696011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.696011 (E_RNA)
where:
Base-Base interactions energy: -220.297
where: short stacking energy: -162.548
Base-Backbone interact. energy: -0.942
local terms energy: -396.456596
where:
bonds (distance) C4'-P energy: -155.082
bonds (distance) P-C4' energy: -105.227
flat angles C4'-P-C4' energy: -107.857
flat angles P-C4'-P energy: -50.632
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: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2334.297248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.297248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.297248 (E_RNA)
where:
Base-Base interactions energy: -1526.847
where: short stacking energy: -682.024
Base-Backbone interact. energy: 2.290
local terms energy: -809.740677
where:
bonds (distance) C4'-P energy: -162.859
bonds (distance) P-C4' energy: -176.766
flat angles C4'-P-C4' energy: -170.218
flat angles P-C4'-P energy: -111.481
tors. eta vs tors. theta energy: -188.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2253.479310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.479310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.479310 (E_RNA)
where:
Base-Base interactions energy: -1511.121
where: short stacking energy: -641.912
Base-Backbone interact. energy: -3.613
local terms energy: -738.744434
where:
bonds (distance) C4'-P energy: -163.017
bonds (distance) P-C4' energy: -161.430
flat angles C4'-P-C4' energy: -164.200
flat angles P-C4'-P energy: -94.858
tors. eta vs tors. theta energy: -155.239
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2182.303314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.303314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.303314 (E_RNA)
where:
Base-Base interactions energy: -1447.849
where: short stacking energy: -679.150
Base-Backbone interact. energy: -2.714
local terms energy: -731.739881
where:
bonds (distance) C4'-P energy: -151.297
bonds (distance) P-C4' energy: -131.147
flat angles C4'-P-C4' energy: -177.741
flat angles P-C4'-P energy: -96.002
tors. eta vs tors. theta energy: -175.552
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: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2044.300565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.300565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.300565 (E_RNA)
where:
Base-Base interactions energy: -1313.824
where: short stacking energy: -631.332
Base-Backbone interact. energy: -1.684
local terms energy: -728.792655
where:
bonds (distance) C4'-P energy: -139.018
bonds (distance) P-C4' energy: -158.611
flat angles C4'-P-C4' energy: -175.482
flat angles P-C4'-P energy: -102.125
tors. eta vs tors. theta energy: -153.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1643.432168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.432168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.432168 (E_RNA)
where:
Base-Base interactions energy: -997.199
where: short stacking energy: -467.780
Base-Backbone interact. energy: 0.961
local terms energy: -647.194304
where:
bonds (distance) C4'-P energy: -156.890
bonds (distance) P-C4' energy: -144.877
flat angles C4'-P-C4' energy: -160.321
flat angles P-C4'-P energy: -90.606
tors. eta vs tors. theta energy: -94.499
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: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1587.283055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.283055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.283055 (E_RNA)
where:
Base-Base interactions energy: -976.907
where: short stacking energy: -484.048
Base-Backbone interact. energy: -0.393
local terms energy: -609.982703
where:
bonds (distance) C4'-P energy: -128.576
bonds (distance) P-C4' energy: -135.058
flat angles C4'-P-C4' energy: -156.165
flat angles P-C4'-P energy: -86.609
tors. eta vs tors. theta energy: -103.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1385.399749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.399749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.399749 (E_RNA)
where:
Base-Base interactions energy: -829.055
where: short stacking energy: -387.307
Base-Backbone interact. energy: -4.026
local terms energy: -552.318639
where:
bonds (distance) C4'-P energy: -137.232
bonds (distance) P-C4' energy: -139.573
flat angles C4'-P-C4' energy: -124.846
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -60.633
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: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1064.369222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.369222 (E_RNA)
where:
Base-Base interactions energy: -582.445
where: short stacking energy: -300.470
Base-Backbone interact. energy: -2.563
local terms energy: -479.361772
where:
bonds (distance) C4'-P energy: -120.645
bonds (distance) P-C4' energy: -140.703
flat angles C4'-P-C4' energy: -115.195
flat angles P-C4'-P energy: -62.402
tors. eta vs tors. theta energy: -40.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -834.109411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.109411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.109411 (E_RNA)
where:
Base-Base interactions energy: -413.533
where: short stacking energy: -224.524
Base-Backbone interact. energy: -1.433
local terms energy: -419.143145
where:
bonds (distance) C4'-P energy: -108.443
bonds (distance) P-C4' energy: -130.196
flat angles C4'-P-C4' energy: -119.837
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: 11.327
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -648.694703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.694703 (E_RNA)
where:
Base-Base interactions energy: -260.754
where: short stacking energy: -165.124
Base-Backbone interact. energy: 1.248
local terms energy: -389.189213
where:
bonds (distance) C4'-P energy: -146.578
bonds (distance) P-C4' energy: -129.243
flat angles C4'-P-C4' energy: -102.748
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: 27.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2371.267693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.267693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.267693 (E_RNA)
where:
Base-Base interactions energy: -1541.567
where: short stacking energy: -703.301
Base-Backbone interact. energy: -2.876
local terms energy: -826.824777
where:
bonds (distance) C4'-P energy: -163.824
bonds (distance) P-C4' energy: -158.942
flat angles C4'-P-C4' energy: -173.441
flat angles P-C4'-P energy: -119.942
tors. eta vs tors. theta energy: -210.676
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2250.519819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.519819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.519819 (E_RNA)
where:
Base-Base interactions energy: -1491.415
where: short stacking energy: -635.583
Base-Backbone interact. energy: 2.712
local terms energy: -761.817259
where:
bonds (distance) C4'-P energy: -148.983
bonds (distance) P-C4' energy: -166.985
flat angles C4'-P-C4' energy: -169.549
flat angles P-C4'-P energy: -112.343
tors. eta vs tors. theta energy: -163.956
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: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2122.060380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.060380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.060380 (E_RNA)
where:
Base-Base interactions energy: -1374.506
where: short stacking energy: -654.041
Base-Backbone interact. energy: -1.794
local terms energy: -745.759460
where:
bonds (distance) C4'-P energy: -160.264
bonds (distance) P-C4' energy: -151.744
flat angles C4'-P-C4' energy: -166.256
flat angles P-C4'-P energy: -83.602
tors. eta vs tors. theta energy: -183.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2092.232187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.232187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.232187 (E_RNA)
where:
Base-Base interactions energy: -1376.160
where: short stacking energy: -644.645
Base-Backbone interact. energy: -3.316
local terms energy: -712.755947
where:
bonds (distance) C4'-P energy: -140.190
bonds (distance) P-C4' energy: -154.254
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -174.909
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: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1708.607521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.607521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.607521 (E_RNA)
where:
Base-Base interactions energy: -1038.692
where: short stacking energy: -464.600
Base-Backbone interact. energy: 0.357
local terms energy: -670.272380
where:
bonds (distance) C4'-P energy: -144.703
bonds (distance) P-C4' energy: -148.346
flat angles C4'-P-C4' energy: -167.905
flat angles P-C4'-P energy: -99.935
tors. eta vs tors. theta energy: -109.383
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: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1506.404415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.404415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.404415 (E_RNA)
where:
Base-Base interactions energy: -911.759
where: short stacking energy: -428.674
Base-Backbone interact. energy: -0.637
local terms energy: -594.008664
where:
bonds (distance) C4'-P energy: -136.682
bonds (distance) P-C4' energy: -156.237
flat angles C4'-P-C4' energy: -165.129
flat angles P-C4'-P energy: -60.867
tors. eta vs tors. theta energy: -75.093
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: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1373.060436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.060436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.060436 (E_RNA)
where:
Base-Base interactions energy: -814.302
where: short stacking energy: -389.830
Base-Backbone interact. energy: -0.051
local terms energy: -558.708164
where:
bonds (distance) C4'-P energy: -144.029
bonds (distance) P-C4' energy: -132.821
flat angles C4'-P-C4' energy: -133.353
flat angles P-C4'-P energy: -78.926
tors. eta vs tors. theta energy: -69.579
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: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1120.165025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.165025 (E_RNA)
where:
Base-Base interactions energy: -629.277
where: short stacking energy: -325.509
Base-Backbone interact. energy: 5.288
local terms energy: -496.175918
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -151.256
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -74.426
tors. eta vs tors. theta energy: -35.352
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: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -839.578551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.578551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.578551 (E_RNA)
where:
Base-Base interactions energy: -359.663
where: short stacking energy: -243.410
Base-Backbone interact. energy: -2.239
local terms energy: -477.676328
where:
bonds (distance) C4'-P energy: -124.937
bonds (distance) P-C4' energy: -148.989
flat angles C4'-P-C4' energy: -131.672
flat angles P-C4'-P energy: -88.588
tors. eta vs tors. theta energy: 16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -638.316256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.316256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.316256 (E_RNA)
where:
Base-Base interactions energy: -222.852
where: short stacking energy: -180.653
Base-Backbone interact. energy: 5.933
local terms energy: -421.397699
where:
bonds (distance) C4'-P energy: -136.211
bonds (distance) P-C4' energy: -130.044
flat angles C4'-P-C4' energy: -101.635
flat angles P-C4'-P energy: -78.022
tors. eta vs tors. theta energy: 24.514
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: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2371.861531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.861531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.861531 (E_RNA)
where:
Base-Base interactions energy: -1511.473
where: short stacking energy: -715.598
Base-Backbone interact. energy: -5.060
local terms energy: -855.328785
where:
bonds (distance) C4'-P energy: -169.807
bonds (distance) P-C4' energy: -172.031
flat angles C4'-P-C4' energy: -185.669
flat angles P-C4'-P energy: -122.762
tors. eta vs tors. theta energy: -205.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2247.195379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.195379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.195379 (E_RNA)
where:
Base-Base interactions energy: -1504.348
where: short stacking energy: -640.341
Base-Backbone interact. energy: -3.643
local terms energy: -739.204638
where:
bonds (distance) C4'-P energy: -150.859
bonds (distance) P-C4' energy: -166.528
flat angles C4'-P-C4' energy: -161.596
flat angles P-C4'-P energy: -102.392
tors. eta vs tors. theta energy: -157.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2123.536801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.536801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.536801 (E_RNA)
where:
Base-Base interactions energy: -1383.883
where: short stacking energy: -642.281
Base-Backbone interact. energy: -2.600
local terms energy: -737.053501
where:
bonds (distance) C4'-P energy: -136.567
bonds (distance) P-C4' energy: -157.408
flat angles C4'-P-C4' energy: -179.921
flat angles P-C4'-P energy: -105.454
tors. eta vs tors. theta energy: -157.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2129.621349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.621349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.621349 (E_RNA)
where:
Base-Base interactions energy: -1394.895
where: short stacking energy: -637.038
Base-Backbone interact. energy: 1.589
local terms energy: -736.315413
where:
bonds (distance) C4'-P energy: -133.243
bonds (distance) P-C4' energy: -153.144
flat angles C4'-P-C4' energy: -160.353
flat angles P-C4'-P energy: -115.036
tors. eta vs tors. theta energy: -174.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1723.212847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.212847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.212847 (E_RNA)
where:
Base-Base interactions energy: -1094.678
where: short stacking energy: -506.109
Base-Backbone interact. energy: -1.817
local terms energy: -626.717851
where:
bonds (distance) C4'-P energy: -118.878
bonds (distance) P-C4' energy: -136.399
flat angles C4'-P-C4' energy: -167.891
flat angles P-C4'-P energy: -95.589
tors. eta vs tors. theta energy: -107.961
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1576.560957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.560957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.560957 (E_RNA)
where:
Base-Base interactions energy: -979.813
where: short stacking energy: -443.010
Base-Backbone interact. energy: -1.866
local terms energy: -594.881868
where:
bonds (distance) C4'-P energy: -135.961
bonds (distance) P-C4' energy: -149.422
flat angles C4'-P-C4' energy: -146.729
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -88.235
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1354.610389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.610389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.610389 (E_RNA)
where:
Base-Base interactions energy: -794.932
where: short stacking energy: -400.661
Base-Backbone interact. energy: 1.204
local terms energy: -560.882187
where:
bonds (distance) C4'-P energy: -123.106
bonds (distance) P-C4' energy: -140.327
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -105.207
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: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1080.504710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.504710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.504710 (E_RNA)
where:
Base-Base interactions energy: -579.068
where: short stacking energy: -294.826
Base-Backbone interact. energy: 3.488
local terms energy: -504.924466
where:
bonds (distance) C4'-P energy: -120.669
bonds (distance) P-C4' energy: -145.707
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: -31.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -819.814794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.814794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.814794 (E_RNA)
where:
Base-Base interactions energy: -357.609
where: short stacking energy: -235.166
Base-Backbone interact. energy: 0.545
local terms energy: -462.750092
where:
bonds (distance) C4'-P energy: -115.791
bonds (distance) P-C4' energy: -155.928
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -10.721
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: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -605.988580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.988580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.988580 (E_RNA)
where:
Base-Base interactions energy: -215.221
where: short stacking energy: -160.412
Base-Backbone interact. energy: 9.070
local terms energy: -399.837828
where:
bonds (distance) C4'-P energy: -142.196
bonds (distance) P-C4' energy: -121.538
flat angles C4'-P-C4' energy: -93.102
flat angles P-C4'-P energy: -82.300
tors. eta vs tors. theta energy: 39.297
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: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2362.322559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.322559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.322559 (E_RNA)
where:
Base-Base interactions energy: -1537.146
where: short stacking energy: -721.404
Base-Backbone interact. energy: -4.312
local terms energy: -820.864060
where:
bonds (distance) C4'-P energy: -154.875
bonds (distance) P-C4' energy: -167.030
flat angles C4'-P-C4' energy: -179.104
flat angles P-C4'-P energy: -117.597
tors. eta vs tors. theta energy: -202.258
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: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2278.563648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.563648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.563648 (E_RNA)
where:
Base-Base interactions energy: -1529.153
where: short stacking energy: -651.855
Base-Backbone interact. energy: -3.687
local terms energy: -745.723196
where:
bonds (distance) C4'-P energy: -152.832
bonds (distance) P-C4' energy: -167.919
flat angles C4'-P-C4' energy: -155.594
flat angles P-C4'-P energy: -104.946
tors. eta vs tors. theta energy: -164.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2173.111559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.111559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.111559 (E_RNA)
where:
Base-Base interactions energy: -1391.487
where: short stacking energy: -663.645
Base-Backbone interact. energy: -4.281
local terms energy: -777.343454
where:
bonds (distance) C4'-P energy: -155.157
bonds (distance) P-C4' energy: -161.092
flat angles C4'-P-C4' energy: -154.699
flat angles P-C4'-P energy: -118.366
tors. eta vs tors. theta energy: -188.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2126.451113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.451113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.451113 (E_RNA)
where:
Base-Base interactions energy: -1387.007
where: short stacking energy: -635.206
Base-Backbone interact. energy: 0.631
local terms energy: -740.074979
where:
bonds (distance) C4'-P energy: -147.859
bonds (distance) P-C4' energy: -149.911
flat angles C4'-P-C4' energy: -155.531
flat angles P-C4'-P energy: -96.936
tors. eta vs tors. theta energy: -189.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1736.818930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.818930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.818930 (E_RNA)
where:
Base-Base interactions energy: -1083.156
where: short stacking energy: -519.884
Base-Backbone interact. energy: -0.065
local terms energy: -653.597637
where:
bonds (distance) C4'-P energy: -139.950
bonds (distance) P-C4' energy: -160.309
flat angles C4'-P-C4' energy: -156.491
flat angles P-C4'-P energy: -80.210
tors. eta vs tors. theta energy: -116.638
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: 62
Temperature: 1.150000
Total energy: -1656.573651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.573651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.573651 (E_RNA)
where:
Base-Base interactions energy: -1013.310
where: short stacking energy: -464.038
Base-Backbone interact. energy: -3.718
local terms energy: -639.545959
where:
bonds (distance) C4'-P energy: -155.661
bonds (distance) P-C4' energy: -159.200
flat angles C4'-P-C4' energy: -136.472
flat angles P-C4'-P energy: -83.492
tors. eta vs tors. theta energy: -104.721
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: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1406.459253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.459253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.459253 (E_RNA)
where:
Base-Base interactions energy: -840.068
where: short stacking energy: -411.487
Base-Backbone interact. energy: 0.547
local terms energy: -566.937580
where:
bonds (distance) C4'-P energy: -125.958
bonds (distance) P-C4' energy: -140.284
flat angles C4'-P-C4' energy: -138.476
flat angles P-C4'-P energy: -93.456
tors. eta vs tors. theta energy: -68.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1087.470243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.470243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.470243 (E_RNA)
where:
Base-Base interactions energy: -598.986
where: short stacking energy: -317.769
Base-Backbone interact. energy: 3.310
local terms energy: -491.794203
where:
bonds (distance) C4'-P energy: -133.878
bonds (distance) P-C4' energy: -146.284
flat angles C4'-P-C4' energy: -108.988
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -36.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -979.926092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.926092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.926092 (E_RNA)
where:
Base-Base interactions energy: -515.345
where: short stacking energy: -285.384
Base-Backbone interact. energy: 7.308
local terms energy: -471.889296
where:
bonds (distance) C4'-P energy: -139.342
bonds (distance) P-C4' energy: -127.973
flat angles C4'-P-C4' energy: -117.686
flat angles P-C4'-P energy: -53.036
tors. eta vs tors. theta energy: -33.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -590.716253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.716253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.716253 (E_RNA)
where:
Base-Base interactions energy: -187.865
where: short stacking energy: -132.122
Base-Backbone interact. energy: -1.364
local terms energy: -401.486782
where:
bonds (distance) C4'-P energy: -145.152
bonds (distance) P-C4' energy: -129.430
flat angles C4'-P-C4' energy: -100.911
flat angles P-C4'-P energy: -74.856
tors. eta vs tors. theta energy: 48.862
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: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2383.618818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.618818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.618818 (E_RNA)
where:
Base-Base interactions energy: -1526.528
where: short stacking energy: -710.185
Base-Backbone interact. energy: -2.083
local terms energy: -855.007940
where:
bonds (distance) C4'-P energy: -169.604
bonds (distance) P-C4' energy: -157.983
flat angles C4'-P-C4' energy: -183.551
flat angles P-C4'-P energy: -133.630
tors. eta vs tors. theta energy: -210.240
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: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2309.666978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.666978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.666978 (E_RNA)
where:
Base-Base interactions energy: -1505.135
where: short stacking energy: -672.874
Base-Backbone interact. energy: -2.616
local terms energy: -801.915644
where:
bonds (distance) C4'-P energy: -152.724
bonds (distance) P-C4' energy: -168.527
flat angles C4'-P-C4' energy: -173.942
flat angles P-C4'-P energy: -111.933
tors. eta vs tors. theta energy: -194.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2182.816941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.816941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.816941 (E_RNA)
where:
Base-Base interactions energy: -1432.986
where: short stacking energy: -688.937
Base-Backbone interact. energy: -0.364
local terms energy: -749.467106
where:
bonds (distance) C4'-P energy: -151.620
bonds (distance) P-C4' energy: -138.855
flat angles C4'-P-C4' energy: -171.799
flat angles P-C4'-P energy: -104.616
tors. eta vs tors. theta energy: -182.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2157.481222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.481222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.481222 (E_RNA)
where:
Base-Base interactions energy: -1434.270
where: short stacking energy: -612.205
Base-Backbone interact. energy: -3.035
local terms energy: -720.176142
where:
bonds (distance) C4'-P energy: -138.947
bonds (distance) P-C4' energy: -156.484
flat angles C4'-P-C4' energy: -166.285
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -165.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1765.557730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.557730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.557730 (E_RNA)
where:
Base-Base interactions energy: -1120.199
where: short stacking energy: -539.333
Base-Backbone interact. energy: -0.775
local terms energy: -644.584205
where:
bonds (distance) C4'-P energy: -141.503
bonds (distance) P-C4' energy: -137.930
flat angles C4'-P-C4' energy: -147.003
flat angles P-C4'-P energy: -95.534
tors. eta vs tors. theta energy: -122.614
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: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1708.587641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.587641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.587641 (E_RNA)
where:
Base-Base interactions energy: -1065.863
where: short stacking energy: -486.867
Base-Backbone interact. energy: -2.415
local terms energy: -640.310133
where:
bonds (distance) C4'-P energy: -142.110
bonds (distance) P-C4' energy: -143.362
flat angles C4'-P-C4' energy: -141.401
flat angles P-C4'-P energy: -99.943
tors. eta vs tors. theta energy: -113.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1401.828945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.828945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.828945 (E_RNA)
where:
Base-Base interactions energy: -831.110
where: short stacking energy: -415.885
Base-Backbone interact. energy: -3.767
local terms energy: -566.952460
where:
bonds (distance) C4'-P energy: -120.003
bonds (distance) P-C4' energy: -146.786
flat angles C4'-P-C4' energy: -122.782
flat angles P-C4'-P energy: -100.663
tors. eta vs tors. theta energy: -76.719
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: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1248.921668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.921668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.921668 (E_RNA)
where:
Base-Base interactions energy: -724.036
where: short stacking energy: -334.974
Base-Backbone interact. energy: -3.133
local terms energy: -521.752189
where:
bonds (distance) C4'-P energy: -138.896
bonds (distance) P-C4' energy: -128.762
flat angles C4'-P-C4' energy: -133.861
flat angles P-C4'-P energy: -93.867
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: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -947.372709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.372709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.372709 (E_RNA)
where:
Base-Base interactions energy: -472.884
where: short stacking energy: -264.055
Base-Backbone interact. energy: -2.124
local terms energy: -472.365588
where:
bonds (distance) C4'-P energy: -135.731
bonds (distance) P-C4' energy: -144.902
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -67.712
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -608.398288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.398288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.398288 (E_RNA)
where:
Base-Base interactions energy: -220.859
where: short stacking energy: -160.930
Base-Backbone interact. energy: 7.149
local terms energy: -394.688102
where:
bonds (distance) C4'-P energy: -117.347
bonds (distance) P-C4' energy: -137.928
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -48.252
tors. eta vs tors. theta energy: 24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2387.790966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.790966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.790966 (E_RNA)
where:
Base-Base interactions energy: -1546.870
where: short stacking energy: -730.416
Base-Backbone interact. energy: -6.148
local terms energy: -834.772150
where:
bonds (distance) C4'-P energy: -170.795
bonds (distance) P-C4' energy: -161.624
flat angles C4'-P-C4' energy: -180.279
flat angles P-C4'-P energy: -116.185
tors. eta vs tors. theta energy: -205.888
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2313.457159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.457159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.457159 (E_RNA)
where:
Base-Base interactions energy: -1540.973
where: short stacking energy: -636.971
Base-Backbone interact. energy: 1.476
local terms energy: -773.959776
where:
bonds (distance) C4'-P energy: -155.634
bonds (distance) P-C4' energy: -171.828
flat angles C4'-P-C4' energy: -167.895
flat angles P-C4'-P energy: -106.851
tors. eta vs tors. theta energy: -171.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2227.107152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.107152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.107152 (E_RNA)
where:
Base-Base interactions energy: -1442.929
where: short stacking energy: -692.516
Base-Backbone interact. energy: -0.936
local terms energy: -783.241939
where:
bonds (distance) C4'-P energy: -159.919
bonds (distance) P-C4' energy: -172.293
flat angles C4'-P-C4' energy: -155.957
flat angles P-C4'-P energy: -100.807
tors. eta vs tors. theta energy: -194.265
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2165.679361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.679361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.679361 (E_RNA)
where:
Base-Base interactions energy: -1448.361
where: short stacking energy: -592.408
Base-Backbone interact. energy: -1.958
local terms energy: -715.359870
where:
bonds (distance) C4'-P energy: -137.609
bonds (distance) P-C4' energy: -148.629
flat angles C4'-P-C4' energy: -169.277
flat angles P-C4'-P energy: -98.126
tors. eta vs tors. theta energy: -161.718
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1815.994349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.994349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.994349 (E_RNA)
where:
Base-Base interactions energy: -1125.560
where: short stacking energy: -523.390
Base-Backbone interact. energy: 2.024
local terms energy: -692.457837
where:
bonds (distance) C4'-P energy: -133.539
bonds (distance) P-C4' energy: -156.223
flat angles C4'-P-C4' energy: -164.629
flat angles P-C4'-P energy: -95.388
tors. eta vs tors. theta energy: -142.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1701.148223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.148223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.148223 (E_RNA)
where:
Base-Base interactions energy: -1078.333
where: short stacking energy: -486.984
Base-Backbone interact. energy: -2.552
local terms energy: -620.263685
where:
bonds (distance) C4'-P energy: -142.797
bonds (distance) P-C4' energy: -140.763
flat angles C4'-P-C4' energy: -154.635
flat angles P-C4'-P energy: -68.289
tors. eta vs tors. theta energy: -113.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1487.486037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.486037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.486037 (E_RNA)
where:
Base-Base interactions energy: -920.158
where: short stacking energy: -458.696
Base-Backbone interact. energy: 6.057
local terms energy: -573.385545
where:
bonds (distance) C4'-P energy: -116.461
bonds (distance) P-C4' energy: -153.946
flat angles C4'-P-C4' energy: -130.965
flat angles P-C4'-P energy: -94.174
tors. eta vs tors. theta energy: -77.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1238.277551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.277551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.277551 (E_RNA)
where:
Base-Base interactions energy: -720.007
where: short stacking energy: -351.549
Base-Backbone interact. energy: -1.983
local terms energy: -516.288270
where:
bonds (distance) C4'-P energy: -135.391
bonds (distance) P-C4' energy: -131.838
flat angles C4'-P-C4' energy: -135.344
flat angles P-C4'-P energy: -71.115
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -949.398887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.398887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.398887 (E_RNA)
where:
Base-Base interactions energy: -506.894
where: short stacking energy: -281.556
Base-Backbone interact. energy: -2.585
local terms energy: -439.919328
where:
bonds (distance) C4'-P energy: -145.266
bonds (distance) P-C4' energy: -113.653
flat angles C4'-P-C4' energy: -114.594
flat angles P-C4'-P energy: -70.759
tors. eta vs tors. theta energy: 4.352
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -581.951726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.951726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.951726 (E_RNA)
where:
Base-Base interactions energy: -179.996
where: short stacking energy: -152.035
Base-Backbone interact. energy: -2.958
local terms energy: -398.998016
where:
bonds (distance) C4'-P energy: -149.343
bonds (distance) P-C4' energy: -135.099
flat angles C4'-P-C4' energy: -83.378
flat angles P-C4'-P energy: -66.375
tors. eta vs tors. theta energy: 35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2329.316824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.316824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.316824 (E_RNA)
where:
Base-Base interactions energy: -1490.253
where: short stacking energy: -696.484
Base-Backbone interact. energy: -4.797
local terms energy: -834.267430
where:
bonds (distance) C4'-P energy: -150.755
bonds (distance) P-C4' energy: -178.114
flat angles C4'-P-C4' energy: -175.048
flat angles P-C4'-P energy: -127.200
tors. eta vs tors. theta energy: -203.150
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: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2367.681072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.681072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.681072 (E_RNA)
where:
Base-Base interactions energy: -1588.555
where: short stacking energy: -686.771
Base-Backbone interact. energy: -1.820
local terms energy: -777.305906
where:
bonds (distance) C4'-P energy: -159.253
bonds (distance) P-C4' energy: -154.827
flat angles C4'-P-C4' energy: -176.275
flat angles P-C4'-P energy: -106.969
tors. eta vs tors. theta energy: -179.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2210.231415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.231415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.231415 (E_RNA)
where:
Base-Base interactions energy: -1414.299
where: short stacking energy: -676.321
Base-Backbone interact. energy: -2.857
local terms energy: -793.075338
where:
bonds (distance) C4'-P energy: -147.213
bonds (distance) P-C4' energy: -168.152
flat angles C4'-P-C4' energy: -177.612
flat angles P-C4'-P energy: -115.052
tors. eta vs tors. theta energy: -185.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2179.195521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.195521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.195521 (E_RNA)
where:
Base-Base interactions energy: -1431.144
where: short stacking energy: -629.468
Base-Backbone interact. energy: -3.094
local terms energy: -744.957424
where:
bonds (distance) C4'-P energy: -139.066
bonds (distance) P-C4' energy: -167.170
flat angles C4'-P-C4' energy: -161.257
flat angles P-C4'-P energy: -109.622
tors. eta vs tors. theta energy: -167.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1851.900986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.900986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.900986 (E_RNA)
where:
Base-Base interactions energy: -1189.319
where: short stacking energy: -561.668
Base-Backbone interact. energy: 3.225
local terms energy: -665.806979
where:
bonds (distance) C4'-P energy: -137.729
bonds (distance) P-C4' energy: -144.031
flat angles C4'-P-C4' energy: -142.407
flat angles P-C4'-P energy: -113.208
tors. eta vs tors. theta energy: -128.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1708.089776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.089776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.089776 (E_RNA)
where:
Base-Base interactions energy: -1093.665
where: short stacking energy: -485.284
Base-Backbone interact. energy: -3.396
local terms energy: -611.029202
where:
bonds (distance) C4'-P energy: -137.946
bonds (distance) P-C4' energy: -141.357
flat angles C4'-P-C4' energy: -126.030
flat angles P-C4'-P energy: -100.528
tors. eta vs tors. theta energy: -105.167
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: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1536.864017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.864017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.864017 (E_RNA)
where:
Base-Base interactions energy: -927.508
where: short stacking energy: -469.619
Base-Backbone interact. energy: -1.686
local terms energy: -607.669699
where:
bonds (distance) C4'-P energy: -152.459
bonds (distance) P-C4' energy: -140.236
flat angles C4'-P-C4' energy: -124.143
flat angles P-C4'-P energy: -87.222
tors. eta vs tors. theta energy: -103.609
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: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1217.264021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.264021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.264021 (E_RNA)
where:
Base-Base interactions energy: -724.687
where: short stacking energy: -334.713
Base-Backbone interact. energy: -3.703
local terms energy: -488.874122
where:
bonds (distance) C4'-P energy: -131.318
bonds (distance) P-C4' energy: -147.364
flat angles C4'-P-C4' energy: -105.842
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -23.984
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: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -907.491711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.491711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.491711 (E_RNA)
where:
Base-Base interactions energy: -444.316
where: short stacking energy: -225.549
Base-Backbone interact. energy: 4.462
local terms energy: -467.637069
where:
bonds (distance) C4'-P energy: -120.989
bonds (distance) P-C4' energy: -151.753
flat angles C4'-P-C4' energy: -114.863
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -582.229793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.229793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.229793 (E_RNA)
where:
Base-Base interactions energy: -165.601
where: short stacking energy: -135.768
Base-Backbone interact. energy: 1.490
local terms energy: -418.118795
where:
bonds (distance) C4'-P energy: -147.903
bonds (distance) P-C4' energy: -125.501
flat angles C4'-P-C4' energy: -115.774
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: 43.713
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: 66
Temperature: 0.900000
Total energy: -2352.972669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.972669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.972669 (E_RNA)
where:
Base-Base interactions energy: -1514.086
where: short stacking energy: -692.804
Base-Backbone interact. energy: -4.034
local terms energy: -834.852408
where:
bonds (distance) C4'-P energy: -167.050
bonds (distance) P-C4' energy: -170.112
flat angles C4'-P-C4' energy: -169.291
flat angles P-C4'-P energy: -112.915
tors. eta vs tors. theta energy: -215.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2301.609835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.609835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.609835 (E_RNA)
where:
Base-Base interactions energy: -1511.862
where: short stacking energy: -667.985
Base-Backbone interact. energy: -2.406
local terms energy: -787.342008
where:
bonds (distance) C4'-P energy: -140.807
bonds (distance) P-C4' energy: -176.797
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -115.209
tors. eta vs tors. theta energy: -180.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2276.692634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.692634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.692634 (E_RNA)
where:
Base-Base interactions energy: -1522.163
where: short stacking energy: -670.880
Base-Backbone interact. energy: -2.099
local terms energy: -752.430635
where:
bonds (distance) C4'-P energy: -150.592
bonds (distance) P-C4' energy: -160.062
flat angles C4'-P-C4' energy: -166.734
flat angles P-C4'-P energy: -86.773
tors. eta vs tors. theta energy: -188.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2084.078017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.078017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.078017 (E_RNA)
where:
Base-Base interactions energy: -1344.712
where: short stacking energy: -635.510
Base-Backbone interact. energy: 2.944
local terms energy: -742.310727
where:
bonds (distance) C4'-P energy: -157.488
bonds (distance) P-C4' energy: -159.079
flat angles C4'-P-C4' energy: -147.139
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -177.010
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: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1810.186228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.186228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.186228 (E_RNA)
where:
Base-Base interactions energy: -1110.114
where: short stacking energy: -521.629
Base-Backbone interact. energy: -4.047
local terms energy: -696.025626
where:
bonds (distance) C4'-P energy: -145.816
bonds (distance) P-C4' energy: -154.798
flat angles C4'-P-C4' energy: -158.461
flat angles P-C4'-P energy: -115.975
tors. eta vs tors. theta energy: -120.975
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: 66
Temperature: 1.150000
Total energy: -1655.273420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.273420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.273420 (E_RNA)
where:
Base-Base interactions energy: -1045.069
where: short stacking energy: -476.088
Base-Backbone interact. energy: -4.789
local terms energy: -605.415218
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -127.092
flat angles C4'-P-C4' energy: -147.020
flat angles P-C4'-P energy: -88.738
tors. eta vs tors. theta energy: -103.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1555.262874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.262874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.262874 (E_RNA)
where:
Base-Base interactions energy: -959.254
where: short stacking energy: -438.436
Base-Backbone interact. energy: 1.471
local terms energy: -597.479643
where:
bonds (distance) C4'-P energy: -137.444
bonds (distance) P-C4' energy: -126.063
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -91.526
tors. eta vs tors. theta energy: -88.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1272.096280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.096280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.096280 (E_RNA)
where:
Base-Base interactions energy: -728.448
where: short stacking energy: -367.048
Base-Backbone interact. energy: -2.485
local terms energy: -541.162932
where:
bonds (distance) C4'-P energy: -134.483
bonds (distance) P-C4' energy: -134.063
flat angles C4'-P-C4' energy: -128.634
flat angles P-C4'-P energy: -82.685
tors. eta vs tors. theta energy: -61.299
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: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -878.441524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.441524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.441524 (E_RNA)
where:
Base-Base interactions energy: -442.934
where: short stacking energy: -261.941
Base-Backbone interact. energy: -2.795
local terms energy: -432.712991
where:
bonds (distance) C4'-P energy: -124.574
bonds (distance) P-C4' energy: -113.451
flat angles C4'-P-C4' energy: -118.281
flat angles P-C4'-P energy: -73.863
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -577.472218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.472218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.472218 (E_RNA)
where:
Base-Base interactions energy: -198.189
where: short stacking energy: -180.357
Base-Backbone interact. energy: 6.166
local terms energy: -385.449457
where:
bonds (distance) C4'-P energy: -133.608
bonds (distance) P-C4' energy: -138.219
flat angles C4'-P-C4' energy: -107.157
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: 42.022
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: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2291.013106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.013106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.013106 (E_RNA)
where:
Base-Base interactions energy: -1486.390
where: short stacking energy: -677.877
Base-Backbone interact. energy: -2.405
local terms energy: -802.218719
where:
bonds (distance) C4'-P energy: -161.475
bonds (distance) P-C4' energy: -163.540
flat angles C4'-P-C4' energy: -182.008
flat angles P-C4'-P energy: -120.259
tors. eta vs tors. theta energy: -174.936
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2301.574403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.574403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.574403 (E_RNA)
where:
Base-Base interactions energy: -1524.976
where: short stacking energy: -660.576
Base-Backbone interact. energy: -5.164
local terms energy: -771.434666
where:
bonds (distance) C4'-P energy: -153.646
bonds (distance) P-C4' energy: -156.000
flat angles C4'-P-C4' energy: -163.397
flat angles P-C4'-P energy: -122.926
tors. eta vs tors. theta energy: -175.465
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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2304.748471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.748471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.748471 (E_RNA)
where:
Base-Base interactions energy: -1560.844
where: short stacking energy: -657.985
Base-Backbone interact. energy: -1.657
local terms energy: -742.247504
where:
bonds (distance) C4'-P energy: -143.887
bonds (distance) P-C4' energy: -154.480
flat angles C4'-P-C4' energy: -156.422
flat angles P-C4'-P energy: -104.234
tors. eta vs tors. theta energy: -183.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2095.347677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.347677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.347677 (E_RNA)
where:
Base-Base interactions energy: -1328.459
where: short stacking energy: -635.690
Base-Backbone interact. energy: -3.061
local terms energy: -763.828002
where:
bonds (distance) C4'-P energy: -153.425
bonds (distance) P-C4' energy: -157.546
flat angles C4'-P-C4' energy: -168.973
flat angles P-C4'-P energy: -116.278
tors. eta vs tors. theta energy: -167.607
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: 67
Temperature: 1.100000
Total energy: -1805.415758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.415758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.415758 (E_RNA)
where:
Base-Base interactions energy: -1114.813
where: short stacking energy: -521.864
Base-Backbone interact. energy: -2.340
local terms energy: -688.262371
where:
bonds (distance) C4'-P energy: -152.139
bonds (distance) P-C4' energy: -145.532
flat angles C4'-P-C4' energy: -160.606
flat angles P-C4'-P energy: -102.574
tors. eta vs tors. theta energy: -127.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1714.146204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.146204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.146204 (E_RNA)
where:
Base-Base interactions energy: -1073.940
where: short stacking energy: -500.166
Base-Backbone interact. energy: 2.250
local terms energy: -642.455293
where:
bonds (distance) C4'-P energy: -127.069
bonds (distance) P-C4' energy: -154.359
flat angles C4'-P-C4' energy: -142.747
flat angles P-C4'-P energy: -88.657
tors. eta vs tors. theta energy: -129.623
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: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1552.207949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.207949 (E_RNA)
where:
Base-Base interactions energy: -943.804
where: short stacking energy: -419.955
Base-Backbone interact. energy: -1.526
local terms energy: -606.877863
where:
bonds (distance) C4'-P energy: -159.181
bonds (distance) P-C4' energy: -157.121
flat angles C4'-P-C4' energy: -124.153
flat angles P-C4'-P energy: -94.336
tors. eta vs tors. theta energy: -72.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1296.985952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.985952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.985952 (E_RNA)
where:
Base-Base interactions energy: -772.497
where: short stacking energy: -368.542
Base-Backbone interact. energy: 3.635
local terms energy: -528.123361
where:
bonds (distance) C4'-P energy: -140.247
bonds (distance) P-C4' energy: -148.857
flat angles C4'-P-C4' energy: -114.561
flat angles P-C4'-P energy: -75.500
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: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -963.711723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.711723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.711723 (E_RNA)
where:
Base-Base interactions energy: -488.297
where: short stacking energy: -259.713
Base-Backbone interact. energy: -4.454
local terms energy: -470.960653
where:
bonds (distance) C4'-P energy: -130.486
bonds (distance) P-C4' energy: -132.063
flat angles C4'-P-C4' energy: -122.738
flat angles P-C4'-P energy: -79.119
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -588.249466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.249466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.249466 (E_RNA)
where:
Base-Base interactions energy: -199.974
where: short stacking energy: -179.512
Base-Backbone interact. energy: 1.763
local terms energy: -390.038455
where:
bonds (distance) C4'-P energy: -123.702
bonds (distance) P-C4' energy: -125.243
flat angles C4'-P-C4' energy: -113.265
flat angles P-C4'-P energy: -58.899
tors. eta vs tors. theta energy: 31.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2356.879444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.879444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.879444 (E_RNA)
where:
Base-Base interactions energy: -1559.956
where: short stacking energy: -666.214
Base-Backbone interact. energy: 1.774
local terms energy: -798.698122
where:
bonds (distance) C4'-P energy: -183.633
bonds (distance) P-C4' energy: -169.819
flat angles C4'-P-C4' energy: -185.727
flat angles P-C4'-P energy: -98.001
tors. eta vs tors. theta energy: -161.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2221.198450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.198450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.198450 (E_RNA)
where:
Base-Base interactions energy: -1430.418
where: short stacking energy: -684.688
Base-Backbone interact. energy: -4.243
local terms energy: -786.537615
where:
bonds (distance) C4'-P energy: -151.405
bonds (distance) P-C4' energy: -164.373
flat angles C4'-P-C4' energy: -162.198
flat angles P-C4'-P energy: -118.774
tors. eta vs tors. theta energy: -189.788
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: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2374.492851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.492851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.492851 (E_RNA)
where:
Base-Base interactions energy: -1629.251
where: short stacking energy: -695.972
Base-Backbone interact. energy: 0.414
local terms energy: -745.656499
where:
bonds (distance) C4'-P energy: -132.991
bonds (distance) P-C4' energy: -156.884
flat angles C4'-P-C4' energy: -155.774
flat angles P-C4'-P energy: -109.535
tors. eta vs tors. theta energy: -190.472
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: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2079.735099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.735099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.735099 (E_RNA)
where:
Base-Base interactions energy: -1334.499
where: short stacking energy: -634.676
Base-Backbone interact. energy: -4.459
local terms energy: -740.777259
where:
bonds (distance) C4'-P energy: -145.938
bonds (distance) P-C4' energy: -147.060
flat angles C4'-P-C4' energy: -162.481
flat angles P-C4'-P energy: -109.068
tors. eta vs tors. theta energy: -176.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1805.026862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.026862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.026862 (E_RNA)
where:
Base-Base interactions energy: -1129.892
where: short stacking energy: -543.712
Base-Backbone interact. energy: 1.628
local terms energy: -676.762994
where:
bonds (distance) C4'-P energy: -147.652
bonds (distance) P-C4' energy: -150.487
flat angles C4'-P-C4' energy: -134.721
flat angles P-C4'-P energy: -106.228
tors. eta vs tors. theta energy: -137.674
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1611.739711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.739711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.739711 (E_RNA)
where:
Base-Base interactions energy: -1013.981
where: short stacking energy: -459.695
Base-Backbone interact. energy: -0.802
local terms energy: -596.956258
where:
bonds (distance) C4'-P energy: -135.702
bonds (distance) P-C4' energy: -124.193
flat angles C4'-P-C4' energy: -152.175
flat angles P-C4'-P energy: -82.766
tors. eta vs tors. theta energy: -102.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1563.126005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.126005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.126005 (E_RNA)
where:
Base-Base interactions energy: -989.033
where: short stacking energy: -473.917
Base-Backbone interact. energy: -1.007
local terms energy: -573.086238
where:
bonds (distance) C4'-P energy: -116.836
bonds (distance) P-C4' energy: -151.880
flat angles C4'-P-C4' energy: -121.438
flat angles P-C4'-P energy: -74.668
tors. eta vs tors. theta energy: -108.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1357.421433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.421433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.421433 (E_RNA)
where:
Base-Base interactions energy: -809.918
where: short stacking energy: -389.416
Base-Backbone interact. energy: -3.261
local terms energy: -544.242735
where:
bonds (distance) C4'-P energy: -136.302
bonds (distance) P-C4' energy: -136.618
flat angles C4'-P-C4' energy: -118.024
flat angles P-C4'-P energy: -85.585
tors. eta vs tors. theta energy: -67.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -961.806108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.806108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.806108 (E_RNA)
where:
Base-Base interactions energy: -503.116
where: short stacking energy: -281.677
Base-Backbone interact. energy: -0.319
local terms energy: -458.370786
where:
bonds (distance) C4'-P energy: -119.067
bonds (distance) P-C4' energy: -145.191
flat angles C4'-P-C4' energy: -113.742
flat angles P-C4'-P energy: -69.072
tors. eta vs tors. theta energy: -11.299
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: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -647.612086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.612086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.612086 (E_RNA)
where:
Base-Base interactions energy: -206.583
where: short stacking energy: -179.872
Base-Backbone interact. energy: 1.133
local terms energy: -442.161775
where:
bonds (distance) C4'-P energy: -128.996
bonds (distance) P-C4' energy: -136.020
flat angles C4'-P-C4' energy: -108.432
flat angles P-C4'-P energy: -85.810
tors. eta vs tors. theta energy: 17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2369.134794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.134794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.134794 (E_RNA)
where:
Base-Base interactions energy: -1586.715
where: short stacking energy: -710.056
Base-Backbone interact. energy: -4.370
local terms energy: -778.049033
where:
bonds (distance) C4'-P energy: -163.518
bonds (distance) P-C4' energy: -154.854
flat angles C4'-P-C4' energy: -176.987
flat angles P-C4'-P energy: -102.078
tors. eta vs tors. theta energy: -180.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2397.939816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.939816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.939816 (E_RNA)
where:
Base-Base interactions energy: -1614.642
where: short stacking energy: -713.557
Base-Backbone interact. energy: -2.790
local terms energy: -780.507241
where:
bonds (distance) C4'-P energy: -151.921
bonds (distance) P-C4' energy: -155.393
flat angles C4'-P-C4' energy: -173.328
flat angles P-C4'-P energy: -98.642
tors. eta vs tors. theta energy: -201.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2152.886061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.886061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.886061 (E_RNA)
where:
Base-Base interactions energy: -1384.818
where: short stacking energy: -634.959
Base-Backbone interact. energy: -0.306
local terms energy: -767.762329
where:
bonds (distance) C4'-P energy: -153.884
bonds (distance) P-C4' energy: -164.634
flat angles C4'-P-C4' energy: -150.409
flat angles P-C4'-P energy: -118.794
tors. eta vs tors. theta energy: -180.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2096.444956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.444956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.444956 (E_RNA)
where:
Base-Base interactions energy: -1345.935
where: short stacking energy: -652.874
Base-Backbone interact. energy: -1.031
local terms energy: -749.478857
where:
bonds (distance) C4'-P energy: -148.898
bonds (distance) P-C4' energy: -150.263
flat angles C4'-P-C4' energy: -161.578
flat angles P-C4'-P energy: -99.424
tors. eta vs tors. theta energy: -189.316
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1809.659141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.659141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.659141 (E_RNA)
where:
Base-Base interactions energy: -1158.018
where: short stacking energy: -566.634
Base-Backbone interact. energy: -0.447
local terms energy: -651.193879
where:
bonds (distance) C4'-P energy: -132.510
bonds (distance) P-C4' energy: -143.898
flat angles C4'-P-C4' energy: -155.686
flat angles P-C4'-P energy: -80.162
tors. eta vs tors. theta energy: -138.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1660.427323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.427323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.427323 (E_RNA)
where:
Base-Base interactions energy: -990.089
where: short stacking energy: -465.014
Base-Backbone interact. energy: 4.565
local terms energy: -674.903435
where:
bonds (distance) C4'-P energy: -146.736
bonds (distance) P-C4' energy: -167.253
flat angles C4'-P-C4' energy: -134.882
flat angles P-C4'-P energy: -95.728
tors. eta vs tors. theta energy: -130.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1511.545453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.545453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.545453 (E_RNA)
where:
Base-Base interactions energy: -926.205
where: short stacking energy: -429.352
Base-Backbone interact. energy: -1.611
local terms energy: -583.729060
where:
bonds (distance) C4'-P energy: -112.329
bonds (distance) P-C4' energy: -143.279
flat angles C4'-P-C4' energy: -158.071
flat angles P-C4'-P energy: -95.701
tors. eta vs tors. theta energy: -74.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1379.965119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.965119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.965119 (E_RNA)
where:
Base-Base interactions energy: -844.143
where: short stacking energy: -397.318
Base-Backbone interact. energy: -1.023
local terms energy: -534.798906
where:
bonds (distance) C4'-P energy: -126.932
bonds (distance) P-C4' energy: -127.803
flat angles C4'-P-C4' energy: -144.120
flat angles P-C4'-P energy: -78.061
tors. eta vs tors. theta energy: -57.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -941.079344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.079344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.079344 (E_RNA)
where:
Base-Base interactions energy: -495.017
where: short stacking energy: -268.034
Base-Backbone interact. energy: -0.096
local terms energy: -445.966475
where:
bonds (distance) C4'-P energy: -117.411
bonds (distance) P-C4' energy: -126.930
flat angles C4'-P-C4' energy: -100.484
flat angles P-C4'-P energy: -99.101
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -583.133225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.133225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.133225 (E_RNA)
where:
Base-Base interactions energy: -196.990
where: short stacking energy: -163.337
Base-Backbone interact. energy: 2.153
local terms energy: -388.295817
where:
bonds (distance) C4'-P energy: -142.053
bonds (distance) P-C4' energy: -117.551
flat angles C4'-P-C4' energy: -101.338
flat angles P-C4'-P energy: -55.608
tors. eta vs tors. theta energy: 28.255
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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2497.700218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.700218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.700218 (E_RNA)
where:
Base-Base interactions energy: -1680.288
where: short stacking energy: -719.472
Base-Backbone interact. energy: -2.334
local terms energy: -815.078378
where:
bonds (distance) C4'-P energy: -170.164
bonds (distance) P-C4' energy: -159.508
flat angles C4'-P-C4' energy: -172.402
flat angles P-C4'-P energy: -111.134
tors. eta vs tors. theta energy: -201.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2317.735701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.735701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.735701 (E_RNA)
where:
Base-Base interactions energy: -1542.310
where: short stacking energy: -653.067
Base-Backbone interact. energy: 0.126
local terms energy: -775.552289
where:
bonds (distance) C4'-P energy: -140.653
bonds (distance) P-C4' energy: -165.435
flat angles C4'-P-C4' energy: -177.481
flat angles P-C4'-P energy: -124.124
tors. eta vs tors. theta energy: -167.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2128.131722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.131722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.131722 (E_RNA)
where:
Base-Base interactions energy: -1363.902
where: short stacking energy: -640.463
Base-Backbone interact. energy: -4.576
local terms energy: -759.653376
where:
bonds (distance) C4'-P energy: -150.970
bonds (distance) P-C4' energy: -144.731
flat angles C4'-P-C4' energy: -180.374
flat angles P-C4'-P energy: -103.037
tors. eta vs tors. theta energy: -180.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2105.577353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.577353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.577353 (E_RNA)
where:
Base-Base interactions energy: -1365.377
where: short stacking energy: -637.258
Base-Backbone interact. energy: -2.053
local terms energy: -738.147447
where:
bonds (distance) C4'-P energy: -153.361
bonds (distance) P-C4' energy: -131.225
flat angles C4'-P-C4' energy: -174.871
flat angles P-C4'-P energy: -100.415
tors. eta vs tors. theta energy: -178.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1822.757792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.757792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.757792 (E_RNA)
where:
Base-Base interactions energy: -1171.422
where: short stacking energy: -517.579
Base-Backbone interact. energy: -2.894
local terms energy: -648.441381
where:
bonds (distance) C4'-P energy: -128.025
bonds (distance) P-C4' energy: -162.867
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -95.279
tors. eta vs tors. theta energy: -121.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1644.138012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.138012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.138012 (E_RNA)
where:
Base-Base interactions energy: -979.913
where: short stacking energy: -441.465
Base-Backbone interact. energy: -1.636
local terms energy: -662.589057
where:
bonds (distance) C4'-P energy: -146.304
bonds (distance) P-C4' energy: -161.539
flat angles C4'-P-C4' energy: -152.101
flat angles P-C4'-P energy: -97.482
tors. eta vs tors. theta energy: -105.164
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: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1591.468952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.468952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.468952 (E_RNA)
where:
Base-Base interactions energy: -977.836
where: short stacking energy: -443.992
Base-Backbone interact. energy: -3.431
local terms energy: -610.202561
where:
bonds (distance) C4'-P energy: -144.819
bonds (distance) P-C4' energy: -144.203
flat angles C4'-P-C4' energy: -133.078
flat angles P-C4'-P energy: -102.787
tors. eta vs tors. theta energy: -85.316
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: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1350.416824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.416824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.416824 (E_RNA)
where:
Base-Base interactions energy: -834.180
where: short stacking energy: -391.770
Base-Backbone interact. energy: -0.682
local terms energy: -515.554657
where:
bonds (distance) C4'-P energy: -128.578
bonds (distance) P-C4' energy: -137.858
flat angles C4'-P-C4' energy: -123.360
flat angles P-C4'-P energy: -75.563
tors. eta vs tors. theta energy: -50.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -974.391541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.391541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.391541 (E_RNA)
where:
Base-Base interactions energy: -542.707
where: short stacking energy: -296.015
Base-Backbone interact. energy: -1.323
local terms energy: -430.361019
where:
bonds (distance) C4'-P energy: -125.452
bonds (distance) P-C4' energy: -149.243
flat angles C4'-P-C4' energy: -87.221
flat angles P-C4'-P energy: -58.889
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -575.379898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.379898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.379898 (E_RNA)
where:
Base-Base interactions energy: -206.066
where: short stacking energy: -175.035
Base-Backbone interact. energy: 3.547
local terms energy: -372.860719
where:
bonds (distance) C4'-P energy: -124.513
bonds (distance) P-C4' energy: -142.085
flat angles C4'-P-C4' energy: -97.987
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: 32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2549.337748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.337748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.337748 (E_RNA)
where:
Base-Base interactions energy: -1703.564
where: short stacking energy: -755.228
Base-Backbone interact. energy: -3.980
local terms energy: -841.794423
where:
bonds (distance) C4'-P energy: -164.523
bonds (distance) P-C4' energy: -163.307
flat angles C4'-P-C4' energy: -180.291
flat angles P-C4'-P energy: -115.427
tors. eta vs tors. theta energy: -218.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2300.129442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.129442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.129442 (E_RNA)
where:
Base-Base interactions energy: -1536.720
where: short stacking energy: -682.645
Base-Backbone interact. energy: 3.532
local terms energy: -766.941849
where:
bonds (distance) C4'-P energy: -162.357
bonds (distance) P-C4' energy: -144.099
flat angles C4'-P-C4' energy: -174.650
flat angles P-C4'-P energy: -98.716
tors. eta vs tors. theta energy: -187.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2086.434092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.434092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.434092 (E_RNA)
where:
Base-Base interactions energy: -1323.081
where: short stacking energy: -624.619
Base-Backbone interact. energy: -5.199
local terms energy: -758.153966
where:
bonds (distance) C4'-P energy: -170.962
bonds (distance) P-C4' energy: -152.988
flat angles C4'-P-C4' energy: -158.164
flat angles P-C4'-P energy: -97.203
tors. eta vs tors. theta energy: -178.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2130.212145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.212145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.212145 (E_RNA)
where:
Base-Base interactions energy: -1369.017
where: short stacking energy: -625.624
Base-Backbone interact. energy: 0.488
local terms energy: -761.682890
where:
bonds (distance) C4'-P energy: -147.604
bonds (distance) P-C4' energy: -146.829
flat angles C4'-P-C4' energy: -179.617
flat angles P-C4'-P energy: -105.275
tors. eta vs tors. theta energy: -182.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1870.795646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.795646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.795646 (E_RNA)
where:
Base-Base interactions energy: -1175.420
where: short stacking energy: -535.808
Base-Backbone interact. energy: -5.483
local terms energy: -689.893284
where:
bonds (distance) C4'-P energy: -162.207
bonds (distance) P-C4' energy: -140.060
flat angles C4'-P-C4' energy: -168.825
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -138.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1615.243695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.243695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.243695 (E_RNA)
where:
Base-Base interactions energy: -976.007
where: short stacking energy: -453.831
Base-Backbone interact. energy: -2.478
local terms energy: -636.758916
where:
bonds (distance) C4'-P energy: -132.384
bonds (distance) P-C4' energy: -140.944
flat angles C4'-P-C4' energy: -152.667
flat angles P-C4'-P energy: -95.103
tors. eta vs tors. theta energy: -115.661
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1641.204813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.204813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.204813 (E_RNA)
where:
Base-Base interactions energy: -1044.138
where: short stacking energy: -488.923
Base-Backbone interact. energy: -1.220
local terms energy: -595.847184
where:
bonds (distance) C4'-P energy: -111.158
bonds (distance) P-C4' energy: -140.072
flat angles C4'-P-C4' energy: -153.833
flat angles P-C4'-P energy: -97.543
tors. eta vs tors. theta energy: -93.241
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1457.006004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.006004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.006004 (E_RNA)
where:
Base-Base interactions energy: -898.302
where: short stacking energy: -416.276
Base-Backbone interact. energy: 5.471
local terms energy: -564.175905
where:
bonds (distance) C4'-P energy: -135.034
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -134.367
flat angles P-C4'-P energy: -83.031
tors. eta vs tors. theta energy: -75.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -940.557109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.557109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.557109 (E_RNA)
where:
Base-Base interactions energy: -489.666
where: short stacking energy: -271.189
Base-Backbone interact. energy: 12.659
local terms energy: -463.550249
where:
bonds (distance) C4'-P energy: -119.958
bonds (distance) P-C4' energy: -144.701
flat angles C4'-P-C4' energy: -123.209
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: 2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -573.466060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.466060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.466060 (E_RNA)
where:
Base-Base interactions energy: -153.373
where: short stacking energy: -128.258
Base-Backbone interact. energy: 2.142
local terms energy: -422.234462
where:
bonds (distance) C4'-P energy: -124.378
bonds (distance) P-C4' energy: -144.132
flat angles C4'-P-C4' energy: -120.618
flat angles P-C4'-P energy: -70.240
tors. eta vs tors. theta energy: 37.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2529.260331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.260331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.260331 (E_RNA)
where:
Base-Base interactions energy: -1712.280
where: short stacking energy: -759.908
Base-Backbone interact. energy: -4.747
local terms energy: -812.233326
where:
bonds (distance) C4'-P energy: -152.258
bonds (distance) P-C4' energy: -149.242
flat angles C4'-P-C4' energy: -178.929
flat angles P-C4'-P energy: -112.018
tors. eta vs tors. theta energy: -219.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2314.698776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.698776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.698776 (E_RNA)
where:
Base-Base interactions energy: -1565.277
where: short stacking energy: -683.246
Base-Backbone interact. energy: 1.640
local terms energy: -751.062304
where:
bonds (distance) C4'-P energy: -156.842
bonds (distance) P-C4' energy: -143.718
flat angles C4'-P-C4' energy: -174.845
flat angles P-C4'-P energy: -109.742
tors. eta vs tors. theta energy: -165.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2237.251419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.251419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.251419 (E_RNA)
where:
Base-Base interactions energy: -1447.887
where: short stacking energy: -718.529
Base-Backbone interact. energy: -0.625
local terms energy: -788.739568
where:
bonds (distance) C4'-P energy: -152.359
bonds (distance) P-C4' energy: -151.067
flat angles C4'-P-C4' energy: -172.768
flat angles P-C4'-P energy: -102.992
tors. eta vs tors. theta energy: -209.552
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: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1975.319173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.319173 (E_RNA)
where:
Base-Base interactions energy: -1242.325
where: short stacking energy: -590.318
Base-Backbone interact. energy: -0.547
local terms energy: -732.447437
where:
bonds (distance) C4'-P energy: -135.591
bonds (distance) P-C4' energy: -148.565
flat angles C4'-P-C4' energy: -160.439
flat angles P-C4'-P energy: -109.987
tors. eta vs tors. theta energy: -177.865
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: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1940.957144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.957144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.957144 (E_RNA)
where:
Base-Base interactions energy: -1254.178
where: short stacking energy: -578.724
Base-Backbone interact. energy: 5.382
local terms energy: -692.160434
where:
bonds (distance) C4'-P energy: -141.292
bonds (distance) P-C4' energy: -145.903
flat angles C4'-P-C4' energy: -161.831
flat angles P-C4'-P energy: -94.460
tors. eta vs tors. theta energy: -148.674
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1713.526203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.526203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.526203 (E_RNA)
where:
Base-Base interactions energy: -1060.751
where: short stacking energy: -522.795
Base-Backbone interact. energy: 3.681
local terms energy: -656.456427
where:
bonds (distance) C4'-P energy: -140.665
bonds (distance) P-C4' energy: -142.835
flat angles C4'-P-C4' energy: -144.813
flat angles P-C4'-P energy: -95.055
tors. eta vs tors. theta energy: -133.088
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: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1515.098948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.098948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.098948 (E_RNA)
where:
Base-Base interactions energy: -938.781
where: short stacking energy: -444.939
Base-Backbone interact. energy: -3.445
local terms energy: -572.873554
where:
bonds (distance) C4'-P energy: -128.575
bonds (distance) P-C4' energy: -147.945
flat angles C4'-P-C4' energy: -132.492
flat angles P-C4'-P energy: -74.676
tors. eta vs tors. theta energy: -89.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1408.631205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.631205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.631205 (E_RNA)
where:
Base-Base interactions energy: -860.243
where: short stacking energy: -408.196
Base-Backbone interact. energy: -3.989
local terms energy: -544.399955
where:
bonds (distance) C4'-P energy: -133.052
bonds (distance) P-C4' energy: -140.250
flat angles C4'-P-C4' energy: -118.280
flat angles P-C4'-P energy: -76.586
tors. eta vs tors. theta energy: -76.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -945.181678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.181678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.181678 (E_RNA)
where:
Base-Base interactions energy: -474.247
where: short stacking energy: -253.821
Base-Backbone interact. energy: 1.790
local terms energy: -472.725276
where:
bonds (distance) C4'-P energy: -137.521
bonds (distance) P-C4' energy: -139.934
flat angles C4'-P-C4' energy: -124.096
flat angles P-C4'-P energy: -79.627
tors. eta vs tors. theta energy: 8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -581.256610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.256610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.256610 (E_RNA)
where:
Base-Base interactions energy: -207.591
where: short stacking energy: -157.044
Base-Backbone interact. energy: -2.212
local terms energy: -372.090501
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -142.532
flat angles C4'-P-C4' energy: -110.407
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: 41.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2517.437990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.437990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.437990 (E_RNA)
where:
Base-Base interactions energy: -1690.590
where: short stacking energy: -763.494
Base-Backbone interact. energy: -5.022
local terms energy: -821.825557
where:
bonds (distance) C4'-P energy: -151.932
bonds (distance) P-C4' energy: -165.559
flat angles C4'-P-C4' energy: -166.921
flat angles P-C4'-P energy: -116.729
tors. eta vs tors. theta energy: -220.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2319.477368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.477368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.477368 (E_RNA)
where:
Base-Base interactions energy: -1544.138
where: short stacking energy: -649.837
Base-Backbone interact. energy: 3.386
local terms energy: -778.724851
where:
bonds (distance) C4'-P energy: -162.565
bonds (distance) P-C4' energy: -167.733
flat angles C4'-P-C4' energy: -172.276
flat angles P-C4'-P energy: -113.761
tors. eta vs tors. theta energy: -162.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2154.487566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.487566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.487566 (E_RNA)
where:
Base-Base interactions energy: -1383.002
where: short stacking energy: -639.370
Base-Backbone interact. energy: -0.962
local terms energy: -770.523367
where:
bonds (distance) C4'-P energy: -142.891
bonds (distance) P-C4' energy: -161.996
flat angles C4'-P-C4' energy: -175.583
flat angles P-C4'-P energy: -116.100
tors. eta vs tors. theta energy: -173.953
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: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1966.311152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.311152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.311152 (E_RNA)
where:
Base-Base interactions energy: -1254.135
where: short stacking energy: -578.324
Base-Backbone interact. energy: -2.663
local terms energy: -709.513036
where:
bonds (distance) C4'-P energy: -157.789
bonds (distance) P-C4' energy: -130.374
flat angles C4'-P-C4' energy: -163.657
flat angles P-C4'-P energy: -99.827
tors. eta vs tors. theta energy: -157.865
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: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1943.626612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.626612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.626612 (E_RNA)
where:
Base-Base interactions energy: -1273.763
where: short stacking energy: -562.409
Base-Backbone interact. energy: -2.800
local terms energy: -667.062957
where:
bonds (distance) C4'-P energy: -137.736
bonds (distance) P-C4' energy: -152.865
flat angles C4'-P-C4' energy: -153.527
flat angles P-C4'-P energy: -99.762
tors. eta vs tors. theta energy: -123.173
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: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1699.618729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.618729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.618729 (E_RNA)
where:
Base-Base interactions energy: -1048.902
where: short stacking energy: -494.082
Base-Backbone interact. energy: -1.341
local terms energy: -649.375452
where:
bonds (distance) C4'-P energy: -150.654
bonds (distance) P-C4' energy: -151.345
flat angles C4'-P-C4' energy: -144.328
flat angles P-C4'-P energy: -86.086
tors. eta vs tors. theta energy: -116.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1559.389378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.389378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.389378 (E_RNA)
where:
Base-Base interactions energy: -970.274
where: short stacking energy: -458.040
Base-Backbone interact. energy: -2.674
local terms energy: -586.441378
where:
bonds (distance) C4'-P energy: -143.885
bonds (distance) P-C4' energy: -111.755
flat angles C4'-P-C4' energy: -144.782
flat angles P-C4'-P energy: -90.828
tors. eta vs tors. theta energy: -95.191
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: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1419.285448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.285448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.285448 (E_RNA)
where:
Base-Base interactions energy: -864.535
where: short stacking energy: -403.450
Base-Backbone interact. energy: 0.418
local terms energy: -555.168551
where:
bonds (distance) C4'-P energy: -129.926
bonds (distance) P-C4' energy: -125.563
flat angles C4'-P-C4' energy: -141.478
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -80.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -963.552362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.552362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.552362 (E_RNA)
where:
Base-Base interactions energy: -540.484
where: short stacking energy: -301.152
Base-Backbone interact. energy: 1.140
local terms energy: -424.208487
where:
bonds (distance) C4'-P energy: -94.056
bonds (distance) P-C4' energy: -134.216
flat angles C4'-P-C4' energy: -101.406
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -574.969908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.969908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.969908 (E_RNA)
where:
Base-Base interactions energy: -221.590
where: short stacking energy: -183.602
Base-Backbone interact. energy: 10.790
local terms energy: -364.170406
where:
bonds (distance) C4'-P energy: -103.065
bonds (distance) P-C4' energy: -130.426
flat angles C4'-P-C4' energy: -89.365
flat angles P-C4'-P energy: -63.327
tors. eta vs tors. theta energy: 22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2527.506630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.506630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.506630 (E_RNA)
where:
Base-Base interactions energy: -1666.244
where: short stacking energy: -711.601
Base-Backbone interact. energy: -6.913
local terms energy: -854.349749
where:
bonds (distance) C4'-P energy: -154.959
bonds (distance) P-C4' energy: -173.171
flat angles C4'-P-C4' energy: -185.870
flat angles P-C4'-P energy: -125.292
tors. eta vs tors. theta energy: -215.057
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: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2325.525871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.525871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.525871 (E_RNA)
where:
Base-Base interactions energy: -1532.201
where: short stacking energy: -665.127
Base-Backbone interact. energy: -2.497
local terms energy: -790.827783
where:
bonds (distance) C4'-P energy: -157.594
bonds (distance) P-C4' energy: -169.763
flat angles C4'-P-C4' energy: -176.472
flat angles P-C4'-P energy: -106.478
tors. eta vs tors. theta energy: -180.521
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: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2150.646255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.646255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.646255 (E_RNA)
where:
Base-Base interactions energy: -1376.671
where: short stacking energy: -638.189
Base-Backbone interact. energy: -0.405
local terms energy: -773.569931
where:
bonds (distance) C4'-P energy: -142.971
bonds (distance) P-C4' energy: -166.446
flat angles C4'-P-C4' energy: -173.509
flat angles P-C4'-P energy: -118.050
tors. eta vs tors. theta energy: -172.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1990.546575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.546575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.546575 (E_RNA)
where:
Base-Base interactions energy: -1279.943
where: short stacking energy: -586.678
Base-Backbone interact. energy: -2.747
local terms energy: -707.856410
where:
bonds (distance) C4'-P energy: -153.129
bonds (distance) P-C4' energy: -166.492
flat angles C4'-P-C4' energy: -148.113
flat angles P-C4'-P energy: -95.224
tors. eta vs tors. theta energy: -144.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1996.787897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.787897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.787897 (E_RNA)
where:
Base-Base interactions energy: -1296.444
where: short stacking energy: -588.664
Base-Backbone interact. energy: -3.147
local terms energy: -697.197062
where:
bonds (distance) C4'-P energy: -153.831
bonds (distance) P-C4' energy: -151.493
flat angles C4'-P-C4' energy: -145.243
flat angles P-C4'-P energy: -90.753
tors. eta vs tors. theta energy: -155.878
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1712.831816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.831816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.831816 (E_RNA)
where:
Base-Base interactions energy: -1057.764
where: short stacking energy: -524.529
Base-Backbone interact. energy: -1.461
local terms energy: -653.744446
where:
bonds (distance) C4'-P energy: -146.172
bonds (distance) P-C4' energy: -137.681
flat angles C4'-P-C4' energy: -138.165
flat angles P-C4'-P energy: -91.065
tors. eta vs tors. theta energy: -140.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1527.816852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.816852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.816852 (E_RNA)
where:
Base-Base interactions energy: -932.241
where: short stacking energy: -442.870
Base-Backbone interact. energy: -3.088
local terms energy: -592.487406
where:
bonds (distance) C4'-P energy: -139.020
bonds (distance) P-C4' energy: -160.082
flat angles C4'-P-C4' energy: -135.750
flat angles P-C4'-P energy: -69.051
tors. eta vs tors. theta energy: -88.584
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: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1419.715084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.715084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.715084 (E_RNA)
where:
Base-Base interactions energy: -870.344
where: short stacking energy: -412.232
Base-Backbone interact. energy: -0.396
local terms energy: -548.975646
where:
bonds (distance) C4'-P energy: -126.165
bonds (distance) P-C4' energy: -148.442
flat angles C4'-P-C4' energy: -107.314
flat angles P-C4'-P energy: -84.861
tors. eta vs tors. theta energy: -82.194
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: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1032.631834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.631834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.631834 (E_RNA)
where:
Base-Base interactions energy: -513.899
where: short stacking energy: -267.366
Base-Backbone interact. energy: -3.875
local terms energy: -514.857973
where:
bonds (distance) C4'-P energy: -111.321
bonds (distance) P-C4' energy: -158.348
flat angles C4'-P-C4' energy: -127.191
flat angles P-C4'-P energy: -76.961
tors. eta vs tors. theta energy: -41.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -618.074773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.074773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.074773 (E_RNA)
where:
Base-Base interactions energy: -215.336
where: short stacking energy: -185.830
Base-Backbone interact. energy: 0.887
local terms energy: -403.625636
where:
bonds (distance) C4'-P energy: -127.739
bonds (distance) P-C4' energy: -131.841
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -62.863
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: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2551.611184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.611184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.611184 (E_RNA)
where:
Base-Base interactions energy: -1718.331
where: short stacking energy: -787.511
Base-Backbone interact. energy: -1.787
local terms energy: -831.493598
where:
bonds (distance) C4'-P energy: -147.101
bonds (distance) P-C4' energy: -167.843
flat angles C4'-P-C4' energy: -190.052
flat angles P-C4'-P energy: -116.258
tors. eta vs tors. theta energy: -210.240
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2318.051475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.051475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.051475 (E_RNA)
where:
Base-Base interactions energy: -1535.506
where: short stacking energy: -667.486
Base-Backbone interact. energy: -0.873
local terms energy: -781.672432
where:
bonds (distance) C4'-P energy: -156.704
bonds (distance) P-C4' energy: -175.564
flat angles C4'-P-C4' energy: -165.522
flat angles P-C4'-P energy: -106.589
tors. eta vs tors. theta energy: -177.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2182.914553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.914553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.914553 (E_RNA)
where:
Base-Base interactions energy: -1391.552
where: short stacking energy: -690.233
Base-Backbone interact. energy: -1.006
local terms energy: -790.356402
where:
bonds (distance) C4'-P energy: -145.419
bonds (distance) P-C4' energy: -147.747
flat angles C4'-P-C4' energy: -172.016
flat angles P-C4'-P energy: -119.698
tors. eta vs tors. theta energy: -205.476
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: 75
Temperature: 1.050000
Total energy: -2061.381982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.381982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.381982 (E_RNA)
where:
Base-Base interactions energy: -1350.279
where: short stacking energy: -604.261
Base-Backbone interact. energy: -2.745
local terms energy: -708.357691
where:
bonds (distance) C4'-P energy: -157.229
bonds (distance) P-C4' energy: -147.888
flat angles C4'-P-C4' energy: -158.601
flat angles P-C4'-P energy: -88.182
tors. eta vs tors. theta energy: -156.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1899.176981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.176981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.176981 (E_RNA)
where:
Base-Base interactions energy: -1217.772
where: short stacking energy: -587.377
Base-Backbone interact. energy: -5.202
local terms energy: -676.202419
where:
bonds (distance) C4'-P energy: -132.262
bonds (distance) P-C4' energy: -133.814
flat angles C4'-P-C4' energy: -148.124
flat angles P-C4'-P energy: -103.978
tors. eta vs tors. theta energy: -158.024
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: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1612.941469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.941469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.941469 (E_RNA)
where:
Base-Base interactions energy: -977.556
where: short stacking energy: -475.973
Base-Backbone interact. energy: -1.494
local terms energy: -633.891773
where:
bonds (distance) C4'-P energy: -138.623
bonds (distance) P-C4' energy: -170.502
flat angles C4'-P-C4' energy: -131.145
flat angles P-C4'-P energy: -95.020
tors. eta vs tors. theta energy: -98.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1525.150007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.150007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.150007 (E_RNA)
where:
Base-Base interactions energy: -963.468
where: short stacking energy: -420.706
Base-Backbone interact. energy: -4.060
local terms energy: -557.622419
where:
bonds (distance) C4'-P energy: -128.662
bonds (distance) P-C4' energy: -136.094
flat angles C4'-P-C4' energy: -156.752
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -60.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1332.623419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.623419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.623419 (E_RNA)
where:
Base-Base interactions energy: -810.964
where: short stacking energy: -382.687
Base-Backbone interact. energy: 2.599
local terms energy: -524.258421
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -125.536
flat angles P-C4'-P energy: -69.245
tors. eta vs tors. theta energy: -52.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1032.883411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.883411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.883411 (E_RNA)
where:
Base-Base interactions energy: -585.528
where: short stacking energy: -285.433
Base-Backbone interact. energy: -3.148
local terms energy: -444.207599
where:
bonds (distance) C4'-P energy: -129.988
bonds (distance) P-C4' energy: -123.101
flat angles C4'-P-C4' energy: -89.453
flat angles P-C4'-P energy: -81.038
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -636.608398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.608398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.608398 (E_RNA)
where:
Base-Base interactions energy: -245.029
where: short stacking energy: -169.731
Base-Backbone interact. energy: 5.889
local terms energy: -397.468580
where:
bonds (distance) C4'-P energy: -133.379
bonds (distance) P-C4' energy: -135.635
flat angles C4'-P-C4' energy: -105.544
flat angles P-C4'-P energy: -56.554
tors. eta vs tors. theta energy: 33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2539.097039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.097039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.097039 (E_RNA)
where:
Base-Base interactions energy: -1716.715
where: short stacking energy: -765.460
Base-Backbone interact. energy: -4.489
local terms energy: -817.893301
where:
bonds (distance) C4'-P energy: -151.056
bonds (distance) P-C4' energy: -177.851
flat angles C4'-P-C4' energy: -172.729
flat angles P-C4'-P energy: -105.294
tors. eta vs tors. theta energy: -210.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2328.438987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.438987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.438987 (E_RNA)
where:
Base-Base interactions energy: -1568.756
where: short stacking energy: -658.872
Base-Backbone interact. energy: -3.099
local terms energy: -756.584176
where:
bonds (distance) C4'-P energy: -159.975
bonds (distance) P-C4' energy: -141.469
flat angles C4'-P-C4' energy: -167.485
flat angles P-C4'-P energy: -116.332
tors. eta vs tors. theta energy: -171.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2157.996386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.996386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.996386 (E_RNA)
where:
Base-Base interactions energy: -1382.043
where: short stacking energy: -649.488
Base-Backbone interact. energy: -3.415
local terms energy: -772.538083
where:
bonds (distance) C4'-P energy: -152.361
bonds (distance) P-C4' energy: -168.057
flat angles C4'-P-C4' energy: -149.879
flat angles P-C4'-P energy: -115.048
tors. eta vs tors. theta energy: -187.192
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: 76
Temperature: 1.050000
Total energy: -2148.876155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.876155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.876155 (E_RNA)
where:
Base-Base interactions energy: -1455.003
where: short stacking energy: -642.478
Base-Backbone interact. energy: 2.236
local terms energy: -696.109832
where:
bonds (distance) C4'-P energy: -145.965
bonds (distance) P-C4' energy: -145.805
flat angles C4'-P-C4' energy: -143.057
flat angles P-C4'-P energy: -84.049
tors. eta vs tors. theta energy: -177.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1863.408979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.408979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.408979 (E_RNA)
where:
Base-Base interactions energy: -1130.358
where: short stacking energy: -563.781
Base-Backbone interact. energy: -1.465
local terms energy: -731.586122
where:
bonds (distance) C4'-P energy: -131.410
bonds (distance) P-C4' energy: -158.831
flat angles C4'-P-C4' energy: -176.935
flat angles P-C4'-P energy: -111.088
tors. eta vs tors. theta energy: -153.322
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1656.061539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.061539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.061539 (E_RNA)
where:
Base-Base interactions energy: -1036.728
where: short stacking energy: -488.268
Base-Backbone interact. energy: -0.326
local terms energy: -619.007974
where:
bonds (distance) C4'-P energy: -120.393
bonds (distance) P-C4' energy: -143.857
flat angles C4'-P-C4' energy: -144.528
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -112.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1489.613780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.613780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.613780 (E_RNA)
where:
Base-Base interactions energy: -894.357
where: short stacking energy: -424.483
Base-Backbone interact. energy: -2.769
local terms energy: -592.487827
where:
bonds (distance) C4'-P energy: -124.410
bonds (distance) P-C4' energy: -140.343
flat angles C4'-P-C4' energy: -143.491
flat angles P-C4'-P energy: -98.359
tors. eta vs tors. theta energy: -85.885
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1377.719484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.719484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.719484 (E_RNA)
where:
Base-Base interactions energy: -852.030
where: short stacking energy: -414.510
Base-Backbone interact. energy: 3.102
local terms energy: -528.791087
where:
bonds (distance) C4'-P energy: -143.604
bonds (distance) P-C4' energy: -122.154
flat angles C4'-P-C4' energy: -128.577
flat angles P-C4'-P energy: -67.769
tors. eta vs tors. theta energy: -66.688
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: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1067.213077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.213077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.213077 (E_RNA)
where:
Base-Base interactions energy: -584.138
where: short stacking energy: -277.503
Base-Backbone interact. energy: -1.033
local terms energy: -482.041966
where:
bonds (distance) C4'-P energy: -135.265
bonds (distance) P-C4' energy: -129.578
flat angles C4'-P-C4' energy: -124.837
flat angles P-C4'-P energy: -63.487
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -657.568813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.568813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.568813 (E_RNA)
where:
Base-Base interactions energy: -208.196
where: short stacking energy: -132.618
Base-Backbone interact. energy: -1.561
local terms energy: -447.811378
where:
bonds (distance) C4'-P energy: -149.376
bonds (distance) P-C4' energy: -144.518
flat angles C4'-P-C4' energy: -116.218
flat angles P-C4'-P energy: -71.297
tors. eta vs tors. theta energy: 33.598
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2488.687575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.687575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.687575 (E_RNA)
where:
Base-Base interactions energy: -1653.743
where: short stacking energy: -722.085
Base-Backbone interact. energy: -0.961
local terms energy: -833.983374
where:
bonds (distance) C4'-P energy: -155.483
bonds (distance) P-C4' energy: -163.105
flat angles C4'-P-C4' energy: -185.271
flat angles P-C4'-P energy: -117.069
tors. eta vs tors. theta energy: -213.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2341.130609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.130609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.130609 (E_RNA)
where:
Base-Base interactions energy: -1583.949
where: short stacking energy: -676.718
Base-Backbone interact. energy: 0.234
local terms energy: -757.415845
where:
bonds (distance) C4'-P energy: -157.792
bonds (distance) P-C4' energy: -153.843
flat angles C4'-P-C4' energy: -162.621
flat angles P-C4'-P energy: -114.740
tors. eta vs tors. theta energy: -168.420
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: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2198.393139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.393139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.393139 (E_RNA)
where:
Base-Base interactions energy: -1420.400
where: short stacking energy: -677.780
Base-Backbone interact. energy: -0.577
local terms energy: -777.416816
where:
bonds (distance) C4'-P energy: -161.608
bonds (distance) P-C4' energy: -165.414
flat angles C4'-P-C4' energy: -154.629
flat angles P-C4'-P energy: -106.531
tors. eta vs tors. theta energy: -189.235
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: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2172.532297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.532297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.532297 (E_RNA)
where:
Base-Base interactions energy: -1466.932
where: short stacking energy: -642.463
Base-Backbone interact. energy: -1.066
local terms energy: -704.534416
where:
bonds (distance) C4'-P energy: -135.485
bonds (distance) P-C4' energy: -157.970
flat angles C4'-P-C4' energy: -159.505
flat angles P-C4'-P energy: -90.683
tors. eta vs tors. theta energy: -160.891
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: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1835.656301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.656301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.656301 (E_RNA)
where:
Base-Base interactions energy: -1150.887
where: short stacking energy: -537.707
Base-Backbone interact. energy: 0.399
local terms energy: -685.167641
where:
bonds (distance) C4'-P energy: -143.248
bonds (distance) P-C4' energy: -162.554
flat angles C4'-P-C4' energy: -157.287
flat angles P-C4'-P energy: -86.625
tors. eta vs tors. theta energy: -135.453
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: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1598.551202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.551202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.551202 (E_RNA)
where:
Base-Base interactions energy: -992.393
where: short stacking energy: -455.588
Base-Backbone interact. energy: 5.986
local terms energy: -612.143961
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -150.706
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -90.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1586.217442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.217442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.217442 (E_RNA)
where:
Base-Base interactions energy: -994.186
where: short stacking energy: -445.399
Base-Backbone interact. energy: 6.380
local terms energy: -598.411561
where:
bonds (distance) C4'-P energy: -143.832
bonds (distance) P-C4' energy: -150.846
flat angles C4'-P-C4' energy: -134.124
flat angles P-C4'-P energy: -83.367
tors. eta vs tors. theta energy: -86.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1424.868901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.868901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.868901 (E_RNA)
where:
Base-Base interactions energy: -864.300
where: short stacking energy: -385.569
Base-Backbone interact. energy: 1.046
local terms energy: -561.614724
where:
bonds (distance) C4'-P energy: -127.985
bonds (distance) P-C4' energy: -138.620
flat angles C4'-P-C4' energy: -139.050
flat angles P-C4'-P energy: -76.730
tors. eta vs tors. theta energy: -79.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1013.796915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.796915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.796915 (E_RNA)
where:
Base-Base interactions energy: -577.190
where: short stacking energy: -288.412
Base-Backbone interact. energy: 8.973
local terms energy: -445.580133
where:
bonds (distance) C4'-P energy: -130.235
bonds (distance) P-C4' energy: -124.284
flat angles C4'-P-C4' energy: -124.862
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -632.817028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.817028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.817028 (E_RNA)
where:
Base-Base interactions energy: -232.442
where: short stacking energy: -171.489
Base-Backbone interact. energy: -0.345
local terms energy: -401.054559
where:
bonds (distance) C4'-P energy: -137.742
bonds (distance) P-C4' energy: -128.577
flat angles C4'-P-C4' energy: -109.758
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: 33.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.025 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2523.124810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.124810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.124810 (E_RNA)
where:
Base-Base interactions energy: -1680.652
where: short stacking energy: -763.348
Base-Backbone interact. energy: -4.652
local terms energy: -837.821185
where:
bonds (distance) C4'-P energy: -168.194
bonds (distance) P-C4' energy: -173.803
flat angles C4'-P-C4' energy: -179.553
flat angles P-C4'-P energy: -110.103
tors. eta vs tors. theta energy: -206.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2328.214985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.214985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.214985 (E_RNA)
where:
Base-Base interactions energy: -1576.829
where: short stacking energy: -699.827
Base-Backbone interact. energy: 9.407
local terms energy: -760.793261
where:
bonds (distance) C4'-P energy: -148.342
bonds (distance) P-C4' energy: -154.581
flat angles C4'-P-C4' energy: -174.890
flat angles P-C4'-P energy: -109.602
tors. eta vs tors. theta energy: -173.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2290.658771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.658771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.658771 (E_RNA)
where:
Base-Base interactions energy: -1538.081
where: short stacking energy: -688.725
Base-Backbone interact. energy: 1.936
local terms energy: -754.513916
where:
bonds (distance) C4'-P energy: -138.993
bonds (distance) P-C4' energy: -150.238
flat angles C4'-P-C4' energy: -163.755
flat angles P-C4'-P energy: -106.045
tors. eta vs tors. theta energy: -195.482
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2065.261937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.261937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.261937 (E_RNA)
where:
Base-Base interactions energy: -1332.513
where: short stacking energy: -609.707
Base-Backbone interact. energy: 0.009
local terms energy: -732.758381
where:
bonds (distance) C4'-P energy: -140.077
bonds (distance) P-C4' energy: -147.402
flat angles C4'-P-C4' energy: -155.211
flat angles P-C4'-P energy: -121.657
tors. eta vs tors. theta energy: -168.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1844.919242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.919242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.919242 (E_RNA)
where:
Base-Base interactions energy: -1187.581
where: short stacking energy: -536.945
Base-Backbone interact. energy: 4.144
local terms energy: -661.482776
where:
bonds (distance) C4'-P energy: -129.405
bonds (distance) P-C4' energy: -149.376
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -143.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1659.548271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.548271 (E_RNA)
where:
Base-Base interactions energy: -1004.848
where: short stacking energy: -460.078
Base-Backbone interact. energy: -1.717
local terms energy: -652.983192
where:
bonds (distance) C4'-P energy: -152.278
bonds (distance) P-C4' energy: -155.992
flat angles C4'-P-C4' energy: -119.152
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -122.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1589.797322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.797322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.797322 (E_RNA)
where:
Base-Base interactions energy: -994.501
where: short stacking energy: -478.635
Base-Backbone interact. energy: -1.381
local terms energy: -593.915649
where:
bonds (distance) C4'-P energy: -122.928
bonds (distance) P-C4' energy: -150.521
flat angles C4'-P-C4' energy: -126.041
flat angles P-C4'-P energy: -89.281
tors. eta vs tors. theta energy: -105.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1437.192285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.192285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.192285 (E_RNA)
where:
Base-Base interactions energy: -895.988
where: short stacking energy: -439.216
Base-Backbone interact. energy: -2.443
local terms energy: -538.760917
where:
bonds (distance) C4'-P energy: -123.942
bonds (distance) P-C4' energy: -111.455
flat angles C4'-P-C4' energy: -142.376
flat angles P-C4'-P energy: -86.993
tors. eta vs tors. theta energy: -73.995
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: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -918.448393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.448393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.448393 (E_RNA)
where:
Base-Base interactions energy: -471.495
where: short stacking energy: -240.724
Base-Backbone interact. energy: -1.676
local terms energy: -445.277508
where:
bonds (distance) C4'-P energy: -133.673
bonds (distance) P-C4' energy: -129.061
flat angles C4'-P-C4' energy: -110.405
flat angles P-C4'-P energy: -72.475
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -717.564196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.564196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.564196 (E_RNA)
where:
Base-Base interactions energy: -314.620
where: short stacking energy: -195.349
Base-Backbone interact. energy: 5.831
local terms energy: -408.774930
where:
bonds (distance) C4'-P energy: -125.969
bonds (distance) P-C4' energy: -132.085
flat angles C4'-P-C4' energy: -104.223
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: 22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2545.701675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.701675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.701675 (E_RNA)
where:
Base-Base interactions energy: -1726.044
where: short stacking energy: -793.021
Base-Backbone interact. energy: -3.748
local terms energy: -815.908979
where:
bonds (distance) C4'-P energy: -164.747
bonds (distance) P-C4' energy: -163.872
flat angles C4'-P-C4' energy: -167.583
flat angles P-C4'-P energy: -104.258
tors. eta vs tors. theta energy: -215.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2319.120188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.120188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.120188 (E_RNA)
where:
Base-Base interactions energy: -1598.082
where: short stacking energy: -663.440
Base-Backbone interact. energy: -3.196
local terms energy: -717.842403
where:
bonds (distance) C4'-P energy: -147.123
bonds (distance) P-C4' energy: -145.107
flat angles C4'-P-C4' energy: -154.694
flat angles P-C4'-P energy: -102.376
tors. eta vs tors. theta energy: -168.543
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2329.718683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.718683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.718683 (E_RNA)
where:
Base-Base interactions energy: -1549.582
where: short stacking energy: -685.138
Base-Backbone interact. energy: 0.501
local terms energy: -780.638074
where:
bonds (distance) C4'-P energy: -139.179
bonds (distance) P-C4' energy: -152.238
flat angles C4'-P-C4' energy: -171.056
flat angles P-C4'-P energy: -111.923
tors. eta vs tors. theta energy: -206.242
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2085.165602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.165602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.165602 (E_RNA)
where:
Base-Base interactions energy: -1373.789
where: short stacking energy: -640.775
Base-Backbone interact. energy: -1.268
local terms energy: -710.109160
where:
bonds (distance) C4'-P energy: -146.846
bonds (distance) P-C4' energy: -147.790
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -96.649
tors. eta vs tors. theta energy: -171.321
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: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1921.499766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.499766 (E_RNA)
where:
Base-Base interactions energy: -1262.286
where: short stacking energy: -560.792
Base-Backbone interact. energy: 5.328
local terms energy: -664.541437
where:
bonds (distance) C4'-P energy: -135.139
bonds (distance) P-C4' energy: -149.148
flat angles C4'-P-C4' energy: -160.004
flat angles P-C4'-P energy: -84.316
tors. eta vs tors. theta energy: -135.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1724.144591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.144591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.144591 (E_RNA)
where:
Base-Base interactions energy: -1077.858
where: short stacking energy: -528.189
Base-Backbone interact. energy: -2.321
local terms energy: -644.788895
where:
bonds (distance) C4'-P energy: -134.527
bonds (distance) P-C4' energy: -149.861
flat angles C4'-P-C4' energy: -156.654
flat angles P-C4'-P energy: -82.435
tors. eta vs tors. theta energy: -121.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.823 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1527.428810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.428810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.428810 (E_RNA)
where:
Base-Base interactions energy: -925.392
where: short stacking energy: -430.485
Base-Backbone interact. energy: -3.951
local terms energy: -598.085849
where:
bonds (distance) C4'-P energy: -154.436
bonds (distance) P-C4' energy: -136.583
flat angles C4'-P-C4' energy: -144.841
flat angles P-C4'-P energy: -78.746
tors. eta vs tors. theta energy: -83.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1403.515358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.515358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.515358 (E_RNA)
where:
Base-Base interactions energy: -831.495
where: short stacking energy: -387.795
Base-Backbone interact. energy: -1.332
local terms energy: -570.687634
where:
bonds (distance) C4'-P energy: -124.098
bonds (distance) P-C4' energy: -129.289
flat angles C4'-P-C4' energy: -146.146
flat angles P-C4'-P energy: -94.076
tors. eta vs tors. theta energy: -77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -956.932574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.932574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.932574 (E_RNA)
where:
Base-Base interactions energy: -455.871
where: short stacking energy: -268.133
Base-Backbone interact. energy: -2.045
local terms energy: -499.016336
where:
bonds (distance) C4'-P energy: -139.047
bonds (distance) P-C4' energy: -135.257
flat angles C4'-P-C4' energy: -130.835
flat angles P-C4'-P energy: -66.995
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -680.766669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.766669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.766669 (E_RNA)
where:
Base-Base interactions energy: -285.661
where: short stacking energy: -174.965
Base-Backbone interact. energy: 2.007
local terms energy: -397.112359
where:
bonds (distance) C4'-P energy: -126.363
bonds (distance) P-C4' energy: -149.297
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -65.685
tors. eta vs tors. theta energy: 56.801
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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2532.713447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.713447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.713447 (E_RNA)
where:
Base-Base interactions energy: -1678.960
where: short stacking energy: -729.713
Base-Backbone interact. energy: -6.829
local terms energy: -846.924374
where:
bonds (distance) C4'-P energy: -160.177
bonds (distance) P-C4' energy: -181.345
flat angles C4'-P-C4' energy: -169.795
flat angles P-C4'-P energy: -119.669
tors. eta vs tors. theta energy: -215.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2343.922521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.922521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.922521 (E_RNA)
where:
Base-Base interactions energy: -1537.395
where: short stacking energy: -670.269
Base-Backbone interact. energy: -4.673
local terms energy: -801.854622
where:
bonds (distance) C4'-P energy: -175.439
bonds (distance) P-C4' energy: -161.777
flat angles C4'-P-C4' energy: -182.825
flat angles P-C4'-P energy: -94.726
tors. eta vs tors. theta energy: -187.087
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: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2322.555970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.555970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.555970 (E_RNA)
where:
Base-Base interactions energy: -1563.029
where: short stacking energy: -686.551
Base-Backbone interact. energy: -0.759
local terms energy: -758.768440
where:
bonds (distance) C4'-P energy: -137.650
bonds (distance) P-C4' energy: -159.218
flat angles C4'-P-C4' energy: -156.705
flat angles P-C4'-P energy: -102.371
tors. eta vs tors. theta energy: -202.825
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2056.884463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.884463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.884463 (E_RNA)
where:
Base-Base interactions energy: -1301.420
where: short stacking energy: -640.364
Base-Backbone interact. energy: -0.097
local terms energy: -755.367731
where:
bonds (distance) C4'-P energy: -143.316
bonds (distance) P-C4' energy: -166.621
flat angles C4'-P-C4' energy: -150.675
flat angles P-C4'-P energy: -119.693
tors. eta vs tors. theta energy: -175.063
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: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1904.806813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.806813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.806813 (E_RNA)
where:
Base-Base interactions energy: -1209.783
where: short stacking energy: -548.422
Base-Backbone interact. energy: 1.458
local terms energy: -696.482312
where:
bonds (distance) C4'-P energy: -147.398
bonds (distance) P-C4' energy: -149.154
flat angles C4'-P-C4' energy: -151.936
flat angles P-C4'-P energy: -111.695
tors. eta vs tors. theta energy: -136.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1760.650447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.650447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.650447 (E_RNA)
where:
Base-Base interactions energy: -1065.176
where: short stacking energy: -533.136
Base-Backbone interact. energy: 0.395
local terms energy: -695.869878
where:
bonds (distance) C4'-P energy: -141.019
bonds (distance) P-C4' energy: -174.316
flat angles C4'-P-C4' energy: -157.253
flat angles P-C4'-P energy: -90.692
tors. eta vs tors. theta energy: -132.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1618.062490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.062490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.062490 (E_RNA)
where:
Base-Base interactions energy: -1024.138
where: short stacking energy: -488.893
Base-Backbone interact. energy: 7.931
local terms energy: -601.855166
where:
bonds (distance) C4'-P energy: -132.782
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -139.259
flat angles P-C4'-P energy: -85.996
tors. eta vs tors. theta energy: -116.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1429.646151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.646151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.646151 (E_RNA)
where:
Base-Base interactions energy: -859.327
where: short stacking energy: -426.132
Base-Backbone interact. energy: -1.070
local terms energy: -569.248364
where:
bonds (distance) C4'-P energy: -134.385
bonds (distance) P-C4' energy: -142.622
flat angles C4'-P-C4' energy: -138.151
flat angles P-C4'-P energy: -78.406
tors. eta vs tors. theta energy: -75.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -940.168836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.168836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.168836 (E_RNA)
where:
Base-Base interactions energy: -495.617
where: short stacking energy: -280.291
Base-Backbone interact. energy: -2.464
local terms energy: -442.087992
where:
bonds (distance) C4'-P energy: -110.410
bonds (distance) P-C4' energy: -128.903
flat angles C4'-P-C4' energy: -121.756
flat angles P-C4'-P energy: -64.844
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -695.283744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.283744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.283744 (E_RNA)
where:
Base-Base interactions energy: -279.006
where: short stacking energy: -182.308
Base-Backbone interact. energy: -1.451
local terms energy: -414.826568
where:
bonds (distance) C4'-P energy: -98.836
bonds (distance) P-C4' energy: -143.669
flat angles C4'-P-C4' energy: -128.977
flat angles P-C4'-P energy: -62.138
tors. eta vs tors. theta energy: 18.793
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: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2563.246124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.246124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.246124 (E_RNA)
where:
Base-Base interactions energy: -1730.645
where: short stacking energy: -761.099
Base-Backbone interact. energy: -5.090
local terms energy: -827.510946
where:
bonds (distance) C4'-P energy: -158.270
bonds (distance) P-C4' energy: -166.139
flat angles C4'-P-C4' energy: -179.862
flat angles P-C4'-P energy: -103.037
tors. eta vs tors. theta energy: -220.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2379.127994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.127994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.127994 (E_RNA)
where:
Base-Base interactions energy: -1594.810
where: short stacking energy: -659.520
Base-Backbone interact. energy: -5.001
local terms energy: -779.316437
where:
bonds (distance) C4'-P energy: -156.491
bonds (distance) P-C4' energy: -170.581
flat angles C4'-P-C4' energy: -169.541
flat angles P-C4'-P energy: -104.383
tors. eta vs tors. theta energy: -178.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2303.549952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.549952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.549952 (E_RNA)
where:
Base-Base interactions energy: -1519.461
where: short stacking energy: -686.567
Base-Backbone interact. energy: -6.051
local terms energy: -778.037535
where:
bonds (distance) C4'-P energy: -135.299
bonds (distance) P-C4' energy: -159.787
flat angles C4'-P-C4' energy: -179.344
flat angles P-C4'-P energy: -114.065
tors. eta vs tors. theta energy: -189.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2103.196613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.196613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.196613 (E_RNA)
where:
Base-Base interactions energy: -1340.268
where: short stacking energy: -664.381
Base-Backbone interact. energy: -2.465
local terms energy: -760.464015
where:
bonds (distance) C4'-P energy: -133.778
bonds (distance) P-C4' energy: -166.030
flat angles C4'-P-C4' energy: -176.770
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -189.665
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1898.958493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.958493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.958493 (E_RNA)
where:
Base-Base interactions energy: -1223.926
where: short stacking energy: -536.190
Base-Backbone interact. energy: 1.456
local terms energy: -676.488457
where:
bonds (distance) C4'-P energy: -147.338
bonds (distance) P-C4' energy: -147.881
flat angles C4'-P-C4' energy: -143.423
flat angles P-C4'-P energy: -109.057
tors. eta vs tors. theta energy: -128.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1781.907721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.907721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.907721 (E_RNA)
where:
Base-Base interactions energy: -1119.434
where: short stacking energy: -504.183
Base-Backbone interact. energy: -0.375
local terms energy: -662.098959
where:
bonds (distance) C4'-P energy: -136.135
bonds (distance) P-C4' energy: -143.581
flat angles C4'-P-C4' energy: -151.338
flat angles P-C4'-P energy: -91.357
tors. eta vs tors. theta energy: -139.688
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: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1607.089600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.089600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.089600 (E_RNA)
where:
Base-Base interactions energy: -1009.342
where: short stacking energy: -466.949
Base-Backbone interact. energy: 5.075
local terms energy: -602.822682
where:
bonds (distance) C4'-P energy: -127.961
bonds (distance) P-C4' energy: -137.291
flat angles C4'-P-C4' energy: -154.109
flat angles P-C4'-P energy: -94.236
tors. eta vs tors. theta energy: -89.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1401.359035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.359035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.359035 (E_RNA)
where:
Base-Base interactions energy: -828.768
where: short stacking energy: -400.193
Base-Backbone interact. energy: 2.531
local terms energy: -575.122425
where:
bonds (distance) C4'-P energy: -135.453
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -142.027
flat angles P-C4'-P energy: -84.725
tors. eta vs tors. theta energy: -78.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1031.704749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.704749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.704749 (E_RNA)
where:
Base-Base interactions energy: -556.895
where: short stacking energy: -285.925
Base-Backbone interact. energy: -1.436
local terms energy: -473.374178
where:
bonds (distance) C4'-P energy: -142.837
bonds (distance) P-C4' energy: -131.311
flat angles C4'-P-C4' energy: -121.669
flat angles P-C4'-P energy: -55.148
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -654.882176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.882176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.882176 (E_RNA)
where:
Base-Base interactions energy: -222.222
where: short stacking energy: -152.349
Base-Backbone interact. energy: -1.774
local terms energy: -431.371236
where:
bonds (distance) C4'-P energy: -133.695
bonds (distance) P-C4' energy: -147.784
flat angles C4'-P-C4' energy: -131.851
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: 22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.486 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2583.845047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.845047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.845047 (E_RNA)
where:
Base-Base interactions energy: -1741.058
where: short stacking energy: -780.063
Base-Backbone interact. energy: -1.710
local terms energy: -841.077105
where:
bonds (distance) C4'-P energy: -150.000
bonds (distance) P-C4' energy: -153.756
flat angles C4'-P-C4' energy: -183.592
flat angles P-C4'-P energy: -123.321
tors. eta vs tors. theta energy: -230.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2408.249970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.249970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.249970 (E_RNA)
where:
Base-Base interactions energy: -1645.606
where: short stacking energy: -701.596
Base-Backbone interact. energy: 0.935
local terms energy: -763.578728
where:
bonds (distance) C4'-P energy: -154.493
bonds (distance) P-C4' energy: -160.741
flat angles C4'-P-C4' energy: -174.808
flat angles P-C4'-P energy: -98.699
tors. eta vs tors. theta energy: -174.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2301.438948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.438948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.438948 (E_RNA)
where:
Base-Base interactions energy: -1545.077
where: short stacking energy: -652.287
Base-Backbone interact. energy: 0.446
local terms energy: -756.808123
where:
bonds (distance) C4'-P energy: -149.351
bonds (distance) P-C4' energy: -144.639
flat angles C4'-P-C4' energy: -160.113
flat angles P-C4'-P energy: -118.699
tors. eta vs tors. theta energy: -184.006
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: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2060.817366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.817366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.817366 (E_RNA)
where:
Base-Base interactions energy: -1310.958
where: short stacking energy: -600.271
Base-Backbone interact. energy: 2.408
local terms energy: -752.266982
where:
bonds (distance) C4'-P energy: -144.360
bonds (distance) P-C4' energy: -178.001
flat angles C4'-P-C4' energy: -158.172
flat angles P-C4'-P energy: -102.990
tors. eta vs tors. theta energy: -168.744
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: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1916.302834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.302834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.302834 (E_RNA)
where:
Base-Base interactions energy: -1243.901
where: short stacking energy: -538.461
Base-Backbone interact. energy: 2.100
local terms energy: -674.502202
where:
bonds (distance) C4'-P energy: -138.095
bonds (distance) P-C4' energy: -147.790
flat angles C4'-P-C4' energy: -158.207
flat angles P-C4'-P energy: -97.804
tors. eta vs tors. theta energy: -132.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1799.794420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.794420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.794420 (E_RNA)
where:
Base-Base interactions energy: -1134.634
where: short stacking energy: -519.847
Base-Backbone interact. energy: -1.926
local terms energy: -663.233911
where:
bonds (distance) C4'-P energy: -130.847
bonds (distance) P-C4' energy: -148.496
flat angles C4'-P-C4' energy: -162.395
flat angles P-C4'-P energy: -89.871
tors. eta vs tors. theta energy: -131.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1625.094455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.094455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.094455 (E_RNA)
where:
Base-Base interactions energy: -1013.278
where: short stacking energy: -461.385
Base-Backbone interact. energy: -1.779
local terms energy: -610.037815
where:
bonds (distance) C4'-P energy: -133.559
bonds (distance) P-C4' energy: -146.599
flat angles C4'-P-C4' energy: -138.348
flat angles P-C4'-P energy: -95.987
tors. eta vs tors. theta energy: -95.546
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: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1453.423529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.423529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.423529 (E_RNA)
where:
Base-Base interactions energy: -872.445
where: short stacking energy: -393.146
Base-Backbone interact. energy: -3.507
local terms energy: -577.471616
where:
bonds (distance) C4'-P energy: -136.028
bonds (distance) P-C4' energy: -131.808
flat angles C4'-P-C4' energy: -133.650
flat angles P-C4'-P energy: -97.702
tors. eta vs tors. theta energy: -78.283
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: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1041.350089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.350089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.350089 (E_RNA)
where:
Base-Base interactions energy: -570.544
where: short stacking energy: -279.184
Base-Backbone interact. energy: -1.750
local terms energy: -469.056113
where:
bonds (distance) C4'-P energy: -119.797
bonds (distance) P-C4' energy: -139.581
flat angles C4'-P-C4' energy: -131.822
flat angles P-C4'-P energy: -68.406
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -685.343939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.343939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.343939 (E_RNA)
where:
Base-Base interactions energy: -294.286
where: short stacking energy: -175.167
Base-Backbone interact. energy: -1.782
local terms energy: -389.275786
where:
bonds (distance) C4'-P energy: -111.812
bonds (distance) P-C4' energy: -124.374
flat angles C4'-P-C4' energy: -126.039
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: 29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2611.885548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.885548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.885548 (E_RNA)
where:
Base-Base interactions energy: -1759.183
where: short stacking energy: -773.606
Base-Backbone interact. energy: -5.965
local terms energy: -846.737446
where:
bonds (distance) C4'-P energy: -149.169
bonds (distance) P-C4' energy: -159.598
flat angles C4'-P-C4' energy: -184.316
flat angles P-C4'-P energy: -120.857
tors. eta vs tors. theta energy: -232.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2420.749384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.749384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.749384 (E_RNA)
where:
Base-Base interactions energy: -1589.908
where: short stacking energy: -698.173
Base-Backbone interact. energy: 2.086
local terms energy: -832.927451
where:
bonds (distance) C4'-P energy: -167.467
bonds (distance) P-C4' energy: -161.386
flat angles C4'-P-C4' energy: -173.867
flat angles P-C4'-P energy: -125.110
tors. eta vs tors. theta energy: -205.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2245.011907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.011907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.011907 (E_RNA)
where:
Base-Base interactions energy: -1503.594
where: short stacking energy: -639.068
Base-Backbone interact. energy: -3.957
local terms energy: -737.460936
where:
bonds (distance) C4'-P energy: -161.097
bonds (distance) P-C4' energy: -142.745
flat angles C4'-P-C4' energy: -163.517
flat angles P-C4'-P energy: -98.137
tors. eta vs tors. theta energy: -171.964
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2030.457001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.457001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.457001 (E_RNA)
where:
Base-Base interactions energy: -1322.497
where: short stacking energy: -607.550
Base-Backbone interact. energy: -2.297
local terms energy: -705.662087
where:
bonds (distance) C4'-P energy: -136.365
bonds (distance) P-C4' energy: -129.641
flat angles C4'-P-C4' energy: -174.671
flat angles P-C4'-P energy: -104.024
tors. eta vs tors. theta energy: -160.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1903.610855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.610855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.610855 (E_RNA)
where:
Base-Base interactions energy: -1202.526
where: short stacking energy: -513.357
Base-Backbone interact. energy: 0.929
local terms energy: -702.014469
where:
bonds (distance) C4'-P energy: -157.477
bonds (distance) P-C4' energy: -170.700
flat angles C4'-P-C4' energy: -147.692
flat angles P-C4'-P energy: -93.635
tors. eta vs tors. theta energy: -132.510
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: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1717.622016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.622016 (E_RNA)
where:
Base-Base interactions energy: -1121.398
where: short stacking energy: -522.964
Base-Backbone interact. energy: -0.715
local terms energy: -595.508563
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -135.788
flat angles C4'-P-C4' energy: -141.720
flat angles P-C4'-P energy: -79.969
tors. eta vs tors. theta energy: -111.019
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: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1629.327005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.327005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.327005 (E_RNA)
where:
Base-Base interactions energy: -1004.018
where: short stacking energy: -478.835
Base-Backbone interact. energy: 4.238
local terms energy: -629.547094
where:
bonds (distance) C4'-P energy: -124.430
bonds (distance) P-C4' energy: -150.280
flat angles C4'-P-C4' energy: -146.010
flat angles P-C4'-P energy: -91.186
tors. eta vs tors. theta energy: -117.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1396.966853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.966853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.966853 (E_RNA)
where:
Base-Base interactions energy: -794.677
where: short stacking energy: -360.047
Base-Backbone interact. energy: -2.293
local terms energy: -599.997581
where:
bonds (distance) C4'-P energy: -149.505
bonds (distance) P-C4' energy: -141.296
flat angles C4'-P-C4' energy: -152.729
flat angles P-C4'-P energy: -89.541
tors. eta vs tors. theta energy: -66.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -908.182514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.182514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.182514 (E_RNA)
where:
Base-Base interactions energy: -451.385
where: short stacking energy: -252.189
Base-Backbone interact. energy: -1.772
local terms energy: -455.025159
where:
bonds (distance) C4'-P energy: -127.233
bonds (distance) P-C4' energy: -133.722
flat angles C4'-P-C4' energy: -111.705
flat angles P-C4'-P energy: -61.137
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -655.127381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.127381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.127381 (E_RNA)
where:
Base-Base interactions energy: -277.611
where: short stacking energy: -198.058
Base-Backbone interact. energy: -3.826
local terms energy: -373.690758
where:
bonds (distance) C4'-P energy: -117.104
bonds (distance) P-C4' energy: -130.131
flat angles C4'-P-C4' energy: -99.029
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: 35.237
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2576.402438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.402438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.402438 (E_RNA)
where:
Base-Base interactions energy: -1731.318
where: short stacking energy: -778.649
Base-Backbone interact. energy: 9.822
local terms energy: -854.905937
where:
bonds (distance) C4'-P energy: -157.376
bonds (distance) P-C4' energy: -172.054
flat angles C4'-P-C4' energy: -179.008
flat angles P-C4'-P energy: -130.256
tors. eta vs tors. theta energy: -216.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2464.874020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.874020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.874020 (E_RNA)
where:
Base-Base interactions energy: -1665.282
where: short stacking energy: -702.365
Base-Backbone interact. energy: -1.783
local terms energy: -797.808337
where:
bonds (distance) C4'-P energy: -152.201
bonds (distance) P-C4' energy: -148.330
flat angles C4'-P-C4' energy: -171.251
flat angles P-C4'-P energy: -121.895
tors. eta vs tors. theta energy: -204.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2314.373834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.373834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.373834 (E_RNA)
where:
Base-Base interactions energy: -1563.658
where: short stacking energy: -708.851
Base-Backbone interact. energy: -0.542
local terms energy: -750.173550
where:
bonds (distance) C4'-P energy: -148.594
bonds (distance) P-C4' energy: -158.715
flat angles C4'-P-C4' energy: -156.778
flat angles P-C4'-P energy: -102.602
tors. eta vs tors. theta energy: -183.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2029.223669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.223669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.223669 (E_RNA)
where:
Base-Base interactions energy: -1308.355
where: short stacking energy: -618.300
Base-Backbone interact. energy: -1.736
local terms energy: -719.132622
where:
bonds (distance) C4'-P energy: -131.875
bonds (distance) P-C4' energy: -143.206
flat angles C4'-P-C4' energy: -171.536
flat angles P-C4'-P energy: -99.055
tors. eta vs tors. theta energy: -173.461
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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1869.344846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.344846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.344846 (E_RNA)
where:
Base-Base interactions energy: -1220.810
where: short stacking energy: -532.407
Base-Backbone interact. energy: 0.097
local terms energy: -648.632083
where:
bonds (distance) C4'-P energy: -141.941
bonds (distance) P-C4' energy: -151.495
flat angles C4'-P-C4' energy: -135.497
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -123.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1782.984718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.984718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.984718 (E_RNA)
where:
Base-Base interactions energy: -1112.303
where: short stacking energy: -513.088
Base-Backbone interact. energy: 0.340
local terms energy: -671.021816
where:
bonds (distance) C4'-P energy: -154.314
bonds (distance) P-C4' energy: -160.575
flat angles C4'-P-C4' energy: -141.075
flat angles P-C4'-P energy: -88.902
tors. eta vs tors. theta energy: -126.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1645.666400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.666400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.666400 (E_RNA)
where:
Base-Base interactions energy: -1052.563
where: short stacking energy: -457.564
Base-Backbone interact. energy: 3.564
local terms energy: -596.667793
where:
bonds (distance) C4'-P energy: -134.567
bonds (distance) P-C4' energy: -134.764
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -89.781
tors. eta vs tors. theta energy: -92.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1388.463574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.463574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.463574 (E_RNA)
where:
Base-Base interactions energy: -846.790
where: short stacking energy: -385.786
Base-Backbone interact. energy: 6.303
local terms energy: -547.977396
where:
bonds (distance) C4'-P energy: -102.378
bonds (distance) P-C4' energy: -152.507
flat angles C4'-P-C4' energy: -152.326
flat angles P-C4'-P energy: -74.766
tors. eta vs tors. theta energy: -66.000
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: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -876.866529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.866529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.866529 (E_RNA)
where:
Base-Base interactions energy: -401.639
where: short stacking energy: -245.646
Base-Backbone interact. energy: -2.895
local terms energy: -472.332600
where:
bonds (distance) C4'-P energy: -150.491
bonds (distance) P-C4' energy: -128.146
flat angles C4'-P-C4' energy: -117.864
flat angles P-C4'-P energy: -77.859
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -654.710970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.710970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.710970 (E_RNA)
where:
Base-Base interactions energy: -238.566
where: short stacking energy: -171.207
Base-Backbone interact. energy: 10.859
local terms energy: -427.004104
where:
bonds (distance) C4'-P energy: -121.956
bonds (distance) P-C4' energy: -140.490
flat angles C4'-P-C4' energy: -120.456
flat angles P-C4'-P energy: -59.675
tors. eta vs tors. theta energy: 15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2582.133028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.133028 (E_RNA)
where:
Base-Base interactions energy: -1730.924
where: short stacking energy: -748.502
Base-Backbone interact. energy: -3.987
local terms energy: -847.221721
where:
bonds (distance) C4'-P energy: -153.224
bonds (distance) P-C4' energy: -162.377
flat angles C4'-P-C4' energy: -194.142
flat angles P-C4'-P energy: -120.703
tors. eta vs tors. theta energy: -216.776
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2479.775789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.775789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.775789 (E_RNA)
where:
Base-Base interactions energy: -1672.339
where: short stacking energy: -739.106
Base-Backbone interact. energy: -4.010
local terms energy: -803.426918
where:
bonds (distance) C4'-P energy: -144.823
bonds (distance) P-C4' energy: -158.083
flat angles C4'-P-C4' energy: -181.139
flat angles P-C4'-P energy: -122.481
tors. eta vs tors. theta energy: -196.901
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2254.603275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.603275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.603275 (E_RNA)
where:
Base-Base interactions energy: -1473.567
where: short stacking energy: -654.790
Base-Backbone interact. energy: 0.542
local terms energy: -781.578404
where:
bonds (distance) C4'-P energy: -155.809
bonds (distance) P-C4' energy: -161.088
flat angles C4'-P-C4' energy: -167.364
flat angles P-C4'-P energy: -96.897
tors. eta vs tors. theta energy: -200.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2051.157475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.157475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.157475 (E_RNA)
where:
Base-Base interactions energy: -1336.092
where: short stacking energy: -618.771
Base-Backbone interact. energy: -4.306
local terms energy: -710.759587
where:
bonds (distance) C4'-P energy: -154.600
bonds (distance) P-C4' energy: -147.407
flat angles C4'-P-C4' energy: -151.639
flat angles P-C4'-P energy: -104.214
tors. eta vs tors. theta energy: -152.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1883.224130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.224130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.224130 (E_RNA)
where:
Base-Base interactions energy: -1175.841
where: short stacking energy: -538.054
Base-Backbone interact. energy: -4.584
local terms energy: -702.798661
where:
bonds (distance) C4'-P energy: -140.543
bonds (distance) P-C4' energy: -153.205
flat angles C4'-P-C4' energy: -158.657
flat angles P-C4'-P energy: -96.549
tors. eta vs tors. theta energy: -153.845
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: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1687.848999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.848999 (E_RNA)
where:
Base-Base interactions energy: -1073.340
where: short stacking energy: -492.125
Base-Backbone interact. energy: -1.363
local terms energy: -613.146901
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -145.426
flat angles C4'-P-C4' energy: -140.640
flat angles P-C4'-P energy: -85.415
tors. eta vs tors. theta energy: -119.534
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: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1645.072844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.072844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.072844 (E_RNA)
where:
Base-Base interactions energy: -1052.175
where: short stacking energy: -475.623
Base-Backbone interact. energy: 1.265
local terms energy: -594.162416
where:
bonds (distance) C4'-P energy: -124.592
bonds (distance) P-C4' energy: -147.439
flat angles C4'-P-C4' energy: -148.721
flat angles P-C4'-P energy: -83.716
tors. eta vs tors. theta energy: -89.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1454.233119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.233119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.233119 (E_RNA)
where:
Base-Base interactions energy: -902.720
where: short stacking energy: -417.745
Base-Backbone interact. energy: 2.477
local terms energy: -553.989524
where:
bonds (distance) C4'-P energy: -130.120
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -126.264
flat angles P-C4'-P energy: -76.479
tors. eta vs tors. theta energy: -94.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -864.109962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.109962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.109962 (E_RNA)
where:
Base-Base interactions energy: -419.870
where: short stacking energy: -252.370
Base-Backbone interact. energy: 12.512
local terms energy: -456.751951
where:
bonds (distance) C4'-P energy: -139.482
bonds (distance) P-C4' energy: -131.476
flat angles C4'-P-C4' energy: -114.694
flat angles P-C4'-P energy: -81.113
tors. eta vs tors. theta energy: 10.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -672.168015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.168015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.168015 (E_RNA)
where:
Base-Base interactions energy: -259.039
where: short stacking energy: -180.354
Base-Backbone interact. energy: -1.316
local terms energy: -411.812476
where:
bonds (distance) C4'-P energy: -138.036
bonds (distance) P-C4' energy: -152.405
flat angles C4'-P-C4' energy: -117.203
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: 42.674
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: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2602.446093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.446093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.446093 (E_RNA)
where:
Base-Base interactions energy: -1762.563
where: short stacking energy: -777.206
Base-Backbone interact. energy: 4.382
local terms energy: -844.264864
where:
bonds (distance) C4'-P energy: -161.677
bonds (distance) P-C4' energy: -164.375
flat angles C4'-P-C4' energy: -185.688
flat angles P-C4'-P energy: -115.950
tors. eta vs tors. theta energy: -216.576
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: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2444.145199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.145199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.145199 (E_RNA)
where:
Base-Base interactions energy: -1638.791
where: short stacking energy: -711.225
Base-Backbone interact. energy: -3.072
local terms energy: -802.282167
where:
bonds (distance) C4'-P energy: -147.991
bonds (distance) P-C4' energy: -157.453
flat angles C4'-P-C4' energy: -183.010
flat angles P-C4'-P energy: -115.349
tors. eta vs tors. theta energy: -198.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2248.284065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.284065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.284065 (E_RNA)
where:
Base-Base interactions energy: -1459.139
where: short stacking energy: -641.292
Base-Backbone interact. energy: -1.975
local terms energy: -787.169893
where:
bonds (distance) C4'-P energy: -152.520
bonds (distance) P-C4' energy: -153.718
flat angles C4'-P-C4' energy: -192.052
flat angles P-C4'-P energy: -109.418
tors. eta vs tors. theta energy: -179.461
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2050.853817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.853817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.853817 (E_RNA)
where:
Base-Base interactions energy: -1323.390
where: short stacking energy: -611.575
Base-Backbone interact. energy: -1.195
local terms energy: -726.268584
where:
bonds (distance) C4'-P energy: -144.920
bonds (distance) P-C4' energy: -162.923
flat angles C4'-P-C4' energy: -160.331
flat angles P-C4'-P energy: -97.017
tors. eta vs tors. theta energy: -161.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1950.565472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.565472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.565472 (E_RNA)
where:
Base-Base interactions energy: -1250.913
where: short stacking energy: -558.660
Base-Backbone interact. energy: -1.617
local terms energy: -698.035127
where:
bonds (distance) C4'-P energy: -143.400
bonds (distance) P-C4' energy: -128.946
flat angles C4'-P-C4' energy: -153.178
flat angles P-C4'-P energy: -112.968
tors. eta vs tors. theta energy: -159.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1712.038919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.038919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.038919 (E_RNA)
where:
Base-Base interactions energy: -1111.290
where: short stacking energy: -501.752
Base-Backbone interact. energy: -1.530
local terms energy: -599.218908
where:
bonds (distance) C4'-P energy: -142.978
bonds (distance) P-C4' energy: -124.552
flat angles C4'-P-C4' energy: -140.722
flat angles P-C4'-P energy: -79.601
tors. eta vs tors. theta energy: -111.366
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: 86
Temperature: 1.200000
Total energy: -1669.978156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.978156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.978156 (E_RNA)
where:
Base-Base interactions energy: -1064.902
where: short stacking energy: -487.667
Base-Backbone interact. energy: -3.658
local terms energy: -601.417679
where:
bonds (distance) C4'-P energy: -143.111
bonds (distance) P-C4' energy: -134.691
flat angles C4'-P-C4' energy: -112.012
flat angles P-C4'-P energy: -107.995
tors. eta vs tors. theta energy: -103.609
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: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1433.214924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.214924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.214924 (E_RNA)
where:
Base-Base interactions energy: -844.302
where: short stacking energy: -386.661
Base-Backbone interact. energy: -3.294
local terms energy: -585.618797
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -144.727
flat angles C4'-P-C4' energy: -142.040
flat angles P-C4'-P energy: -93.182
tors. eta vs tors. theta energy: -76.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -867.262127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.262127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.262127 (E_RNA)
where:
Base-Base interactions energy: -381.277
where: short stacking energy: -259.207
Base-Backbone interact. energy: 4.134
local terms energy: -490.119610
where:
bonds (distance) C4'-P energy: -140.296
bonds (distance) P-C4' energy: -130.615
flat angles C4'-P-C4' energy: -124.776
flat angles P-C4'-P energy: -86.598
tors. eta vs tors. theta energy: -7.835
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: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -694.549159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.549159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.549159 (E_RNA)
where:
Base-Base interactions energy: -272.662
where: short stacking energy: -163.008
Base-Backbone interact. energy: 3.057
local terms energy: -424.944968
where:
bonds (distance) C4'-P energy: -150.465
bonds (distance) P-C4' energy: -136.179
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -63.113
tors. eta vs tors. theta energy: 32.921
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2609.075686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.075686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.075686 (E_RNA)
where:
Base-Base interactions energy: -1750.206
where: short stacking energy: -786.791
Base-Backbone interact. energy: -6.869
local terms energy: -852.001441
where:
bonds (distance) C4'-P energy: -155.200
bonds (distance) P-C4' energy: -166.983
flat angles C4'-P-C4' energy: -173.017
flat angles P-C4'-P energy: -130.684
tors. eta vs tors. theta energy: -226.117
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: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2489.969664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.969664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.969664 (E_RNA)
where:
Base-Base interactions energy: -1653.789
where: short stacking energy: -736.246
Base-Backbone interact. energy: -2.045
local terms energy: -834.135180
where:
bonds (distance) C4'-P energy: -167.724
bonds (distance) P-C4' energy: -169.956
flat angles C4'-P-C4' energy: -175.886
flat angles P-C4'-P energy: -110.865
tors. eta vs tors. theta energy: -209.705
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2255.850545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.850545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.850545 (E_RNA)
where:
Base-Base interactions energy: -1493.407
where: short stacking energy: -686.623
Base-Backbone interact. energy: -3.050
local terms energy: -759.393677
where:
bonds (distance) C4'-P energy: -149.095
bonds (distance) P-C4' energy: -162.621
flat angles C4'-P-C4' energy: -169.122
flat angles P-C4'-P energy: -107.730
tors. eta vs tors. theta energy: -170.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2060.990453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.990453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.990453 (E_RNA)
where:
Base-Base interactions energy: -1330.897
where: short stacking energy: -616.894
Base-Backbone interact. energy: 0.116
local terms energy: -730.210269
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -157.267
flat angles C4'-P-C4' energy: -163.987
flat angles P-C4'-P energy: -109.838
tors. eta vs tors. theta energy: -168.583
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1899.171613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.171613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.171613 (E_RNA)
where:
Base-Base interactions energy: -1190.539
where: short stacking energy: -534.208
Base-Backbone interact. energy: 0.013
local terms energy: -708.646374
where:
bonds (distance) C4'-P energy: -139.100
bonds (distance) P-C4' energy: -167.271
flat angles C4'-P-C4' energy: -160.263
flat angles P-C4'-P energy: -91.088
tors. eta vs tors. theta energy: -150.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1697.047668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.047668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.047668 (E_RNA)
where:
Base-Base interactions energy: -1087.612
where: short stacking energy: -480.924
Base-Backbone interact. energy: 2.814
local terms energy: -612.250476
where:
bonds (distance) C4'-P energy: -130.772
bonds (distance) P-C4' energy: -141.042
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -83.921
tors. eta vs tors. theta energy: -107.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1615.024043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.024043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.024043 (E_RNA)
where:
Base-Base interactions energy: -979.463
where: short stacking energy: -440.020
Base-Backbone interact. energy: -1.583
local terms energy: -633.978424
where:
bonds (distance) C4'-P energy: -150.901
bonds (distance) P-C4' energy: -136.471
flat angles C4'-P-C4' energy: -139.430
flat angles P-C4'-P energy: -99.014
tors. eta vs tors. theta energy: -108.163
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1341.413304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.413304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.413304 (E_RNA)
where:
Base-Base interactions energy: -798.903
where: short stacking energy: -401.868
Base-Backbone interact. energy: -0.660
local terms energy: -541.850398
where:
bonds (distance) C4'-P energy: -129.716
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -138.738
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -76.194
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: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -862.179506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.179506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.179506 (E_RNA)
where:
Base-Base interactions energy: -422.821
where: short stacking energy: -235.869
Base-Backbone interact. energy: -0.803
local terms energy: -438.555956
where:
bonds (distance) C4'-P energy: -131.026
bonds (distance) P-C4' energy: -132.473
flat angles C4'-P-C4' energy: -103.886
flat angles P-C4'-P energy: -72.324
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -655.167135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.167135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.167135 (E_RNA)
where:
Base-Base interactions energy: -279.760
where: short stacking energy: -206.554
Base-Backbone interact. energy: -3.819
local terms energy: -371.587819
where:
bonds (distance) C4'-P energy: -120.551
bonds (distance) P-C4' energy: -122.058
flat angles C4'-P-C4' energy: -109.435
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: 26.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2607.931575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.931575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.931575 (E_RNA)
where:
Base-Base interactions energy: -1747.098
where: short stacking energy: -768.496
Base-Backbone interact. energy: -6.509
local terms energy: -854.324431
where:
bonds (distance) C4'-P energy: -169.155
bonds (distance) P-C4' energy: -151.377
flat angles C4'-P-C4' energy: -194.368
flat angles P-C4'-P energy: -112.137
tors. eta vs tors. theta energy: -227.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2444.851179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.851179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.851179 (E_RNA)
where:
Base-Base interactions energy: -1619.156
where: short stacking energy: -711.017
Base-Backbone interact. energy: -3.786
local terms energy: -821.909352
where:
bonds (distance) C4'-P energy: -156.387
bonds (distance) P-C4' energy: -173.212
flat angles C4'-P-C4' energy: -168.584
flat angles P-C4'-P energy: -116.814
tors. eta vs tors. theta energy: -206.912
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2274.542085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.542085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.542085 (E_RNA)
where:
Base-Base interactions energy: -1492.182
where: short stacking energy: -650.877
Base-Backbone interact. energy: -2.802
local terms energy: -779.558174
where:
bonds (distance) C4'-P energy: -152.663
bonds (distance) P-C4' energy: -155.658
flat angles C4'-P-C4' energy: -176.695
flat angles P-C4'-P energy: -109.373
tors. eta vs tors. theta energy: -185.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2052.580548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.580548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.580548 (E_RNA)
where:
Base-Base interactions energy: -1315.234
where: short stacking energy: -605.376
Base-Backbone interact. energy: -1.395
local terms energy: -735.951425
where:
bonds (distance) C4'-P energy: -145.226
bonds (distance) P-C4' energy: -154.702
flat angles C4'-P-C4' energy: -154.867
flat angles P-C4'-P energy: -110.855
tors. eta vs tors. theta energy: -170.303
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: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1869.472237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.472237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.472237 (E_RNA)
where:
Base-Base interactions energy: -1184.772
where: short stacking energy: -517.968
Base-Backbone interact. energy: 3.946
local terms energy: -688.646389
where:
bonds (distance) C4'-P energy: -140.132
bonds (distance) P-C4' energy: -140.494
flat angles C4'-P-C4' energy: -162.760
flat angles P-C4'-P energy: -98.109
tors. eta vs tors. theta energy: -147.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1725.762036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.762036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.762036 (E_RNA)
where:
Base-Base interactions energy: -1080.656
where: short stacking energy: -508.251
Base-Backbone interact. energy: -0.389
local terms energy: -644.717018
where:
bonds (distance) C4'-P energy: -142.919
bonds (distance) P-C4' energy: -138.322
flat angles C4'-P-C4' energy: -135.539
flat angles P-C4'-P energy: -97.042
tors. eta vs tors. theta energy: -130.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1567.785730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.785730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.785730 (E_RNA)
where:
Base-Base interactions energy: -947.378
where: short stacking energy: -419.511
Base-Backbone interact. energy: 4.625
local terms energy: -625.032329
where:
bonds (distance) C4'-P energy: -135.179
bonds (distance) P-C4' energy: -144.741
flat angles C4'-P-C4' energy: -137.919
flat angles P-C4'-P energy: -106.054
tors. eta vs tors. theta energy: -101.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1370.631348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.631348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.631348 (E_RNA)
where:
Base-Base interactions energy: -824.495
where: short stacking energy: -378.755
Base-Backbone interact. energy: -0.181
local terms energy: -545.955877
where:
bonds (distance) C4'-P energy: -123.759
bonds (distance) P-C4' energy: -133.434
flat angles C4'-P-C4' energy: -121.311
flat angles P-C4'-P energy: -86.695
tors. eta vs tors. theta energy: -80.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -898.985204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.985204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.985204 (E_RNA)
where:
Base-Base interactions energy: -436.101
where: short stacking energy: -257.518
Base-Backbone interact. energy: 5.701
local terms energy: -468.585306
where:
bonds (distance) C4'-P energy: -118.199
bonds (distance) P-C4' energy: -153.631
flat angles C4'-P-C4' energy: -115.572
flat angles P-C4'-P energy: -76.671
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: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -693.331999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.331999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.331999 (E_RNA)
where:
Base-Base interactions energy: -274.026
where: short stacking energy: -183.302
Base-Backbone interact. energy: -1.908
local terms energy: -417.398142
where:
bonds (distance) C4'-P energy: -125.284
bonds (distance) P-C4' energy: -125.464
flat angles C4'-P-C4' energy: -131.864
flat angles P-C4'-P energy: -54.817
tors. eta vs tors. theta energy: 20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2641.309369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.309369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.309369 (E_RNA)
where:
Base-Base interactions energy: -1785.719
where: short stacking energy: -784.255
Base-Backbone interact. energy: -5.570
local terms energy: -850.021239
where:
bonds (distance) C4'-P energy: -160.972
bonds (distance) P-C4' energy: -173.373
flat angles C4'-P-C4' energy: -170.177
flat angles P-C4'-P energy: -121.431
tors. eta vs tors. theta energy: -224.068
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: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2468.782199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.782199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.782199 (E_RNA)
where:
Base-Base interactions energy: -1653.290
where: short stacking energy: -741.703
Base-Backbone interact. energy: -0.627
local terms energy: -814.865225
where:
bonds (distance) C4'-P energy: -155.362
bonds (distance) P-C4' energy: -171.514
flat angles C4'-P-C4' energy: -172.898
flat angles P-C4'-P energy: -104.430
tors. eta vs tors. theta energy: -210.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2170.960453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.960453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.960453 (E_RNA)
where:
Base-Base interactions energy: -1416.976
where: short stacking energy: -605.813
Base-Backbone interact. energy: 1.382
local terms energy: -755.366848
where:
bonds (distance) C4'-P energy: -147.625
bonds (distance) P-C4' energy: -162.289
flat angles C4'-P-C4' energy: -169.944
flat angles P-C4'-P energy: -108.119
tors. eta vs tors. theta energy: -167.390
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: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2063.550565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.550565 (E_RNA)
where:
Base-Base interactions energy: -1349.895
where: short stacking energy: -604.808
Base-Backbone interact. energy: 1.315
local terms energy: -714.970291
where:
bonds (distance) C4'-P energy: -150.012
bonds (distance) P-C4' energy: -148.119
flat angles C4'-P-C4' energy: -160.947
flat angles P-C4'-P energy: -96.610
tors. eta vs tors. theta energy: -159.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1959.452550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.452550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.452550 (E_RNA)
where:
Base-Base interactions energy: -1272.676
where: short stacking energy: -559.215
Base-Backbone interact. energy: -2.296
local terms energy: -684.480193
where:
bonds (distance) C4'-P energy: -135.836
bonds (distance) P-C4' energy: -131.919
flat angles C4'-P-C4' energy: -158.184
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -165.694
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1708.842496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.842496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.842496 (E_RNA)
where:
Base-Base interactions energy: -1065.753
where: short stacking energy: -488.170
Base-Backbone interact. energy: 3.112
local terms energy: -646.200930
where:
bonds (distance) C4'-P energy: -152.044
bonds (distance) P-C4' energy: -145.155
flat angles C4'-P-C4' energy: -162.292
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -106.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1640.669638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.669638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.669638 (E_RNA)
where:
Base-Base interactions energy: -1057.680
where: short stacking energy: -526.140
Base-Backbone interact. energy: -2.232
local terms energy: -580.757827
where:
bonds (distance) C4'-P energy: -120.424
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -155.543
flat angles P-C4'-P energy: -83.868
tors. eta vs tors. theta energy: -102.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1458.960097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.960097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.960097 (E_RNA)
where:
Base-Base interactions energy: -864.380
where: short stacking energy: -399.988
Base-Backbone interact. energy: -0.552
local terms energy: -594.028716
where:
bonds (distance) C4'-P energy: -138.728
bonds (distance) P-C4' energy: -151.873
flat angles C4'-P-C4' energy: -132.317
flat angles P-C4'-P energy: -84.999
tors. eta vs tors. theta energy: -86.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -935.286680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.286680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.286680 (E_RNA)
where:
Base-Base interactions energy: -492.419
where: short stacking energy: -276.452
Base-Backbone interact. energy: -0.038
local terms energy: -442.829157
where:
bonds (distance) C4'-P energy: -120.585
bonds (distance) P-C4' energy: -117.032
flat angles C4'-P-C4' energy: -127.174
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -0.847
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: 89
Temperature: 1.350000
Total energy: -603.787978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.787978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.787978 (E_RNA)
where:
Base-Base interactions energy: -193.424
where: short stacking energy: -154.312
Base-Backbone interact. energy: 10.537
local terms energy: -420.900244
where:
bonds (distance) C4'-P energy: -132.563
bonds (distance) P-C4' energy: -131.184
flat angles C4'-P-C4' energy: -108.546
flat angles P-C4'-P energy: -58.782
tors. eta vs tors. theta energy: 10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2653.640521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.640521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.640521 (E_RNA)
where:
Base-Base interactions energy: -1777.982
where: short stacking energy: -778.484
Base-Backbone interact. energy: -8.229
local terms energy: -867.429207
where:
bonds (distance) C4'-P energy: -169.876
bonds (distance) P-C4' energy: -150.433
flat angles C4'-P-C4' energy: -183.345
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -231.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2466.553658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.553658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.553658 (E_RNA)
where:
Base-Base interactions energy: -1645.626
where: short stacking energy: -732.394
Base-Backbone interact. energy: 0.535
local terms energy: -821.462333
where:
bonds (distance) C4'-P energy: -137.334
bonds (distance) P-C4' energy: -160.295
flat angles C4'-P-C4' energy: -180.680
flat angles P-C4'-P energy: -128.420
tors. eta vs tors. theta energy: -214.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2178.065152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.065152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.065152 (E_RNA)
where:
Base-Base interactions energy: -1434.703
where: short stacking energy: -621.062
Base-Backbone interact. energy: 7.106
local terms energy: -750.468570
where:
bonds (distance) C4'-P energy: -158.528
bonds (distance) P-C4' energy: -149.890
flat angles C4'-P-C4' energy: -162.252
flat angles P-C4'-P energy: -109.696
tors. eta vs tors. theta energy: -170.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2022.595764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.595764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.595764 (E_RNA)
where:
Base-Base interactions energy: -1276.414
where: short stacking energy: -584.447
Base-Backbone interact. energy: -2.599
local terms energy: -743.583264
where:
bonds (distance) C4'-P energy: -142.044
bonds (distance) P-C4' energy: -154.174
flat angles C4'-P-C4' energy: -178.322
flat angles P-C4'-P energy: -119.496
tors. eta vs tors. theta energy: -149.547
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: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1989.679695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.679695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.679695 (E_RNA)
where:
Base-Base interactions energy: -1290.885
where: short stacking energy: -582.107
Base-Backbone interact. energy: -1.451
local terms energy: -697.344110
where:
bonds (distance) C4'-P energy: -146.150
bonds (distance) P-C4' energy: -145.540
flat angles C4'-P-C4' energy: -174.457
flat angles P-C4'-P energy: -77.925
tors. eta vs tors. theta energy: -153.272
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1675.780340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.780340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.780340 (E_RNA)
where:
Base-Base interactions energy: -1026.258
where: short stacking energy: -495.176
Base-Backbone interact. energy: 0.288
local terms energy: -649.810273
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -140.407
flat angles C4'-P-C4' energy: -161.221
flat angles P-C4'-P energy: -91.696
tors. eta vs tors. theta energy: -121.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1586.739198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.739198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.739198 (E_RNA)
where:
Base-Base interactions energy: -991.409
where: short stacking energy: -471.469
Base-Backbone interact. energy: -4.983
local terms energy: -590.347274
where:
bonds (distance) C4'-P energy: -126.002
bonds (distance) P-C4' energy: -140.137
flat angles C4'-P-C4' energy: -144.585
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -94.253
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: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1391.658797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.658797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.658797 (E_RNA)
where:
Base-Base interactions energy: -872.663
where: short stacking energy: -398.065
Base-Backbone interact. energy: -2.422
local terms energy: -516.573128
where:
bonds (distance) C4'-P energy: -126.899
bonds (distance) P-C4' energy: -133.487
flat angles C4'-P-C4' energy: -136.187
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -47.327
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: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -895.425316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.425316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.425316 (E_RNA)
where:
Base-Base interactions energy: -450.968
where: short stacking energy: -275.493
Base-Backbone interact. energy: 3.203
local terms energy: -447.660362
where:
bonds (distance) C4'-P energy: -150.492
bonds (distance) P-C4' energy: -145.051
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: 2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -587.592070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.592070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.592070 (E_RNA)
where:
Base-Base interactions energy: -194.906
where: short stacking energy: -157.687
Base-Backbone interact. energy: 0.488
local terms energy: -393.174637
where:
bonds (distance) C4'-P energy: -136.007
bonds (distance) P-C4' energy: -135.998
flat angles C4'-P-C4' energy: -119.963
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: 49.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2657.129512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.129512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.129512 (E_RNA)
where:
Base-Base interactions energy: -1804.584
where: short stacking energy: -773.854
Base-Backbone interact. energy: -2.093
local terms energy: -850.452743
where:
bonds (distance) C4'-P energy: -161.581
bonds (distance) P-C4' energy: -168.583
flat angles C4'-P-C4' energy: -175.658
flat angles P-C4'-P energy: -119.087
tors. eta vs tors. theta energy: -225.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2453.722948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.722948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.722948 (E_RNA)
where:
Base-Base interactions energy: -1650.720
where: short stacking energy: -714.787
Base-Backbone interact. energy: -0.015
local terms energy: -802.987597
where:
bonds (distance) C4'-P energy: -157.827
bonds (distance) P-C4' energy: -160.576
flat angles C4'-P-C4' energy: -170.636
flat angles P-C4'-P energy: -113.511
tors. eta vs tors. theta energy: -200.437
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2255.950013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.950013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.950013 (E_RNA)
where:
Base-Base interactions energy: -1495.079
where: short stacking energy: -641.998
Base-Backbone interact. energy: 1.271
local terms energy: -762.142050
where:
bonds (distance) C4'-P energy: -145.252
bonds (distance) P-C4' energy: -155.034
flat angles C4'-P-C4' energy: -174.341
flat angles P-C4'-P energy: -124.276
tors. eta vs tors. theta energy: -163.239
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: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2056.462532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.462532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.462532 (E_RNA)
where:
Base-Base interactions energy: -1297.179
where: short stacking energy: -581.807
Base-Backbone interact. energy: -4.849
local terms energy: -754.434181
where:
bonds (distance) C4'-P energy: -141.482
bonds (distance) P-C4' energy: -170.324
flat angles C4'-P-C4' energy: -164.331
flat angles P-C4'-P energy: -108.825
tors. eta vs tors. theta energy: -169.472
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2021.130849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.130849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.130849 (E_RNA)
where:
Base-Base interactions energy: -1319.847
where: short stacking energy: -571.836
Base-Backbone interact. energy: -0.959
local terms energy: -700.325249
where:
bonds (distance) C4'-P energy: -155.380
bonds (distance) P-C4' energy: -155.115
flat angles C4'-P-C4' energy: -151.499
flat angles P-C4'-P energy: -98.595
tors. eta vs tors. theta energy: -139.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1726.901303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.901303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.901303 (E_RNA)
where:
Base-Base interactions energy: -1088.721
where: short stacking energy: -476.487
Base-Backbone interact. energy: -1.304
local terms energy: -636.876841
where:
bonds (distance) C4'-P energy: -146.546
bonds (distance) P-C4' energy: -134.477
flat angles C4'-P-C4' energy: -136.137
flat angles P-C4'-P energy: -98.611
tors. eta vs tors. theta energy: -121.106
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: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1614.870462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.870462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.870462 (E_RNA)
where:
Base-Base interactions energy: -1020.666
where: short stacking energy: -477.210
Base-Backbone interact. energy: 2.366
local terms energy: -596.569646
where:
bonds (distance) C4'-P energy: -128.861
bonds (distance) P-C4' energy: -133.083
flat angles C4'-P-C4' energy: -131.418
flat angles P-C4'-P energy: -107.898
tors. eta vs tors. theta energy: -95.310
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: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1415.054657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.054657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.054657 (E_RNA)
where:
Base-Base interactions energy: -838.684
where: short stacking energy: -399.738
Base-Backbone interact. energy: 3.054
local terms energy: -579.424446
where:
bonds (distance) C4'-P energy: -134.705
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -122.798
flat angles P-C4'-P energy: -97.165
tors. eta vs tors. theta energy: -74.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -913.933206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.933206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.933206 (E_RNA)
where:
Base-Base interactions energy: -460.214
where: short stacking energy: -271.835
Base-Backbone interact. energy: 1.757
local terms energy: -455.475533
where:
bonds (distance) C4'-P energy: -127.440
bonds (distance) P-C4' energy: -108.922
flat angles C4'-P-C4' energy: -122.518
flat angles P-C4'-P energy: -79.287
tors. eta vs tors. theta energy: -17.309
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: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -576.062549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.062549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.062549 (E_RNA)
where:
Base-Base interactions energy: -181.180
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.982
local terms energy: -393.900331
where:
bonds (distance) C4'-P energy: -122.316
bonds (distance) P-C4' energy: -139.664
flat angles C4'-P-C4' energy: -111.663
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: 47.534
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2622.435104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.435104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.435104 (E_RNA)
where:
Base-Base interactions energy: -1761.349
where: short stacking energy: -760.996
Base-Backbone interact. energy: -4.055
local terms energy: -857.031710
where:
bonds (distance) C4'-P energy: -158.513
bonds (distance) P-C4' energy: -162.666
flat angles C4'-P-C4' energy: -183.781
flat angles P-C4'-P energy: -127.209
tors. eta vs tors. theta energy: -224.864
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: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2454.264063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.264063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.264063 (E_RNA)
where:
Base-Base interactions energy: -1643.784
where: short stacking energy: -729.618
Base-Backbone interact. energy: -1.946
local terms energy: -808.534031
where:
bonds (distance) C4'-P energy: -149.468
bonds (distance) P-C4' energy: -157.929
flat angles C4'-P-C4' energy: -171.378
flat angles P-C4'-P energy: -113.117
tors. eta vs tors. theta energy: -216.643
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: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2187.966621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.966621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.966621 (E_RNA)
where:
Base-Base interactions energy: -1422.456
where: short stacking energy: -636.404
Base-Backbone interact. energy: -0.673
local terms energy: -764.838221
where:
bonds (distance) C4'-P energy: -148.252
bonds (distance) P-C4' energy: -158.677
flat angles C4'-P-C4' energy: -179.385
flat angles P-C4'-P energy: -108.978
tors. eta vs tors. theta energy: -169.546
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: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2113.068844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.068844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.068844 (E_RNA)
where:
Base-Base interactions energy: -1368.586
where: short stacking energy: -612.150
Base-Backbone interact. energy: -1.303
local terms energy: -743.179765
where:
bonds (distance) C4'-P energy: -143.343
bonds (distance) P-C4' energy: -144.695
flat angles C4'-P-C4' energy: -159.950
flat angles P-C4'-P energy: -111.747
tors. eta vs tors. theta energy: -183.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2036.996292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.996292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.996292 (E_RNA)
where:
Base-Base interactions energy: -1285.879
where: short stacking energy: -596.656
Base-Backbone interact. energy: -1.776
local terms energy: -749.340877
where:
bonds (distance) C4'-P energy: -153.100
bonds (distance) P-C4' energy: -149.629
flat angles C4'-P-C4' energy: -165.407
flat angles P-C4'-P energy: -105.488
tors. eta vs tors. theta energy: -175.717
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: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1736.276512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.276512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.276512 (E_RNA)
where:
Base-Base interactions energy: -1098.236
where: short stacking energy: -508.309
Base-Backbone interact. energy: -1.587
local terms energy: -636.453207
where:
bonds (distance) C4'-P energy: -132.836
bonds (distance) P-C4' energy: -139.992
flat angles C4'-P-C4' energy: -153.132
flat angles P-C4'-P energy: -98.162
tors. eta vs tors. theta energy: -112.331
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: 92
Temperature: 1.200000
Total energy: -1626.565553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.565553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.565553 (E_RNA)
where:
Base-Base interactions energy: -1054.280
where: short stacking energy: -493.502
Base-Backbone interact. energy: -2.914
local terms energy: -569.371597
where:
bonds (distance) C4'-P energy: -128.009
bonds (distance) P-C4' energy: -139.972
flat angles C4'-P-C4' energy: -130.331
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -100.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1407.589494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.589494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.589494 (E_RNA)
where:
Base-Base interactions energy: -844.192
where: short stacking energy: -404.207
Base-Backbone interact. energy: -4.644
local terms energy: -558.753930
where:
bonds (distance) C4'-P energy: -132.481
bonds (distance) P-C4' energy: -154.399
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -76.934
tors. eta vs tors. theta energy: -76.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -904.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.277915 (E_RNA)
where:
Base-Base interactions energy: -456.267
where: short stacking energy: -250.995
Base-Backbone interact. energy: 0.931
local terms energy: -448.941247
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -151.291
flat angles C4'-P-C4' energy: -116.204
flat angles P-C4'-P energy: -89.113
tors. eta vs tors. theta energy: 8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -579.022770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.022770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.022770 (E_RNA)
where:
Base-Base interactions energy: -189.147
where: short stacking energy: -147.016
Base-Backbone interact. energy: -2.066
local terms energy: -387.810316
where:
bonds (distance) C4'-P energy: -131.536
bonds (distance) P-C4' energy: -131.818
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: 41.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2588.589668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.589668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.589668 (E_RNA)
where:
Base-Base interactions energy: -1750.677
where: short stacking energy: -722.787
Base-Backbone interact. energy: -1.227
local terms energy: -836.686067
where:
bonds (distance) C4'-P energy: -170.080
bonds (distance) P-C4' energy: -163.147
flat angles C4'-P-C4' energy: -174.783
flat angles P-C4'-P energy: -105.892
tors. eta vs tors. theta energy: -222.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2495.142879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.142879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.142879 (E_RNA)
where:
Base-Base interactions energy: -1650.827
where: short stacking energy: -735.676
Base-Backbone interact. energy: -3.664
local terms energy: -840.652038
where:
bonds (distance) C4'-P energy: -166.546
bonds (distance) P-C4' energy: -159.932
flat angles C4'-P-C4' energy: -176.697
flat angles P-C4'-P energy: -128.306
tors. eta vs tors. theta energy: -209.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2192.667756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.667756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.667756 (E_RNA)
where:
Base-Base interactions energy: -1436.593
where: short stacking energy: -634.239
Base-Backbone interact. energy: -4.088
local terms energy: -751.986544
where:
bonds (distance) C4'-P energy: -151.790
bonds (distance) P-C4' energy: -155.227
flat angles C4'-P-C4' energy: -176.592
flat angles P-C4'-P energy: -107.628
tors. eta vs tors. theta energy: -160.751
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: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2036.477578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.477578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.477578 (E_RNA)
where:
Base-Base interactions energy: -1312.127
where: short stacking energy: -638.972
Base-Backbone interact. energy: -2.816
local terms energy: -721.533963
where:
bonds (distance) C4'-P energy: -143.215
bonds (distance) P-C4' energy: -153.071
flat angles C4'-P-C4' energy: -160.064
flat angles P-C4'-P energy: -100.202
tors. eta vs tors. theta energy: -164.982
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: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1960.014743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.014743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.014743 (E_RNA)
where:
Base-Base interactions energy: -1250.425
where: short stacking energy: -560.548
Base-Backbone interact. energy: -0.283
local terms energy: -709.306547
where:
bonds (distance) C4'-P energy: -145.004
bonds (distance) P-C4' energy: -156.938
flat angles C4'-P-C4' energy: -154.576
flat angles P-C4'-P energy: -107.781
tors. eta vs tors. theta energy: -145.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1754.393169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.393169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.393169 (E_RNA)
where:
Base-Base interactions energy: -1079.578
where: short stacking energy: -522.629
Base-Backbone interact. energy: -1.815
local terms energy: -672.999538
where:
bonds (distance) C4'-P energy: -128.247
bonds (distance) P-C4' energy: -144.338
flat angles C4'-P-C4' energy: -166.564
flat angles P-C4'-P energy: -108.107
tors. eta vs tors. theta energy: -125.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1633.243652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.243652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.243652 (E_RNA)
where:
Base-Base interactions energy: -1005.850
where: short stacking energy: -505.937
Base-Backbone interact. energy: 0.787
local terms energy: -628.180744
where:
bonds (distance) C4'-P energy: -132.789
bonds (distance) P-C4' energy: -146.383
flat angles C4'-P-C4' energy: -152.980
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -117.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1480.369693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.369693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.369693 (E_RNA)
where:
Base-Base interactions energy: -942.182
where: short stacking energy: -421.609
Base-Backbone interact. energy: 7.745
local terms energy: -545.932564
where:
bonds (distance) C4'-P energy: -137.541
bonds (distance) P-C4' energy: -129.031
flat angles C4'-P-C4' energy: -126.342
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -73.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -862.797584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.797584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.797584 (E_RNA)
where:
Base-Base interactions energy: -431.829
where: short stacking energy: -224.154
Base-Backbone interact. energy: 1.416
local terms energy: -432.383930
where:
bonds (distance) C4'-P energy: -103.948
bonds (distance) P-C4' energy: -149.630
flat angles C4'-P-C4' energy: -118.424
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: 14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -594.304742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.304742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.304742 (E_RNA)
where:
Base-Base interactions energy: -186.511
where: short stacking energy: -175.023
Base-Backbone interact. energy: 5.996
local terms energy: -413.789936
where:
bonds (distance) C4'-P energy: -102.842
bonds (distance) P-C4' energy: -131.840
flat angles C4'-P-C4' energy: -124.511
flat angles P-C4'-P energy: -81.159
tors. eta vs tors. theta energy: 26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2608.869702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.869702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.869702 (E_RNA)
where:
Base-Base interactions energy: -1788.205
where: short stacking energy: -777.122
Base-Backbone interact. energy: -3.826
local terms energy: -816.838496
where:
bonds (distance) C4'-P energy: -172.430
bonds (distance) P-C4' energy: -157.970
flat angles C4'-P-C4' energy: -161.810
flat angles P-C4'-P energy: -107.421
tors. eta vs tors. theta energy: -217.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2476.126648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.126648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.126648 (E_RNA)
where:
Base-Base interactions energy: -1655.761
where: short stacking energy: -723.637
Base-Backbone interact. energy: -2.641
local terms energy: -817.724841
where:
bonds (distance) C4'-P energy: -159.872
bonds (distance) P-C4' energy: -158.318
flat angles C4'-P-C4' energy: -168.493
flat angles P-C4'-P energy: -122.243
tors. eta vs tors. theta energy: -208.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2220.756964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.756964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.756964 (E_RNA)
where:
Base-Base interactions energy: -1497.806
where: short stacking energy: -656.600
Base-Backbone interact. energy: -3.712
local terms energy: -719.238637
where:
bonds (distance) C4'-P energy: -160.001
bonds (distance) P-C4' energy: -152.930
flat angles C4'-P-C4' energy: -157.166
flat angles P-C4'-P energy: -85.860
tors. eta vs tors. theta energy: -163.281
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2062.450696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.450696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.450696 (E_RNA)
where:
Base-Base interactions energy: -1346.388
where: short stacking energy: -629.299
Base-Backbone interact. energy: -0.827
local terms energy: -715.236151
where:
bonds (distance) C4'-P energy: -145.899
bonds (distance) P-C4' energy: -141.308
flat angles C4'-P-C4' energy: -167.491
flat angles P-C4'-P energy: -99.184
tors. eta vs tors. theta energy: -161.354
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1964.829268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.829268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.829268 (E_RNA)
where:
Base-Base interactions energy: -1288.071
where: short stacking energy: -586.762
Base-Backbone interact. energy: 1.781
local terms energy: -678.539291
where:
bonds (distance) C4'-P energy: -116.454
bonds (distance) P-C4' energy: -154.824
flat angles C4'-P-C4' energy: -157.878
flat angles P-C4'-P energy: -95.056
tors. eta vs tors. theta energy: -154.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1834.948954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.948954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.948954 (E_RNA)
where:
Base-Base interactions energy: -1165.173
where: short stacking energy: -559.151
Base-Backbone interact. energy: -1.974
local terms energy: -667.802358
where:
bonds (distance) C4'-P energy: -131.062
bonds (distance) P-C4' energy: -152.616
flat angles C4'-P-C4' energy: -164.656
flat angles P-C4'-P energy: -77.029
tors. eta vs tors. theta energy: -142.440
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: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1612.650458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.650458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.650458 (E_RNA)
where:
Base-Base interactions energy: -987.633
where: short stacking energy: -468.949
Base-Backbone interact. energy: 1.125
local terms energy: -626.143268
where:
bonds (distance) C4'-P energy: -155.229
bonds (distance) P-C4' energy: -139.937
flat angles C4'-P-C4' energy: -147.886
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -108.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1481.452536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.452536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.452536 (E_RNA)
where:
Base-Base interactions energy: -915.503
where: short stacking energy: -391.232
Base-Backbone interact. energy: -0.395
local terms energy: -565.554489
where:
bonds (distance) C4'-P energy: -131.464
bonds (distance) P-C4' energy: -147.542
flat angles C4'-P-C4' energy: -143.706
flat angles P-C4'-P energy: -86.397
tors. eta vs tors. theta energy: -56.445
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: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -868.830418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.830418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.830418 (E_RNA)
where:
Base-Base interactions energy: -427.278
where: short stacking energy: -260.915
Base-Backbone interact. energy: 3.393
local terms energy: -444.945601
where:
bonds (distance) C4'-P energy: -130.367
bonds (distance) P-C4' energy: -127.742
flat angles C4'-P-C4' energy: -130.616
flat angles P-C4'-P energy: -64.215
tors. eta vs tors. theta energy: 7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -609.343810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.343810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.343810 (E_RNA)
where:
Base-Base interactions energy: -208.960
where: short stacking energy: -188.264
Base-Backbone interact. energy: 3.489
local terms energy: -403.873500
where:
bonds (distance) C4'-P energy: -120.120
bonds (distance) P-C4' energy: -134.140
flat angles C4'-P-C4' energy: -129.530
flat angles P-C4'-P energy: -51.588
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: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2578.379709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.379709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.379709 (E_RNA)
where:
Base-Base interactions energy: -1709.825
where: short stacking energy: -762.402
Base-Backbone interact. energy: -3.095
local terms energy: -865.459235
where:
bonds (distance) C4'-P energy: -166.395
bonds (distance) P-C4' energy: -181.205
flat angles C4'-P-C4' energy: -175.194
flat angles P-C4'-P energy: -122.372
tors. eta vs tors. theta energy: -220.293
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: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2481.793094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.793094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.793094 (E_RNA)
where:
Base-Base interactions energy: -1674.903
where: short stacking energy: -742.150
Base-Backbone interact. energy: -1.998
local terms energy: -804.892916
where:
bonds (distance) C4'-P energy: -158.519
bonds (distance) P-C4' energy: -153.620
flat angles C4'-P-C4' energy: -177.840
flat angles P-C4'-P energy: -95.287
tors. eta vs tors. theta energy: -219.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2240.866273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.866273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.866273 (E_RNA)
where:
Base-Base interactions energy: -1493.067
where: short stacking energy: -666.361
Base-Backbone interact. energy: -2.102
local terms energy: -745.697183
where:
bonds (distance) C4'-P energy: -146.180
bonds (distance) P-C4' energy: -148.026
flat angles C4'-P-C4' energy: -178.088
flat angles P-C4'-P energy: -98.060
tors. eta vs tors. theta energy: -175.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2066.658942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.658942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.658942 (E_RNA)
where:
Base-Base interactions energy: -1330.582
where: short stacking energy: -629.650
Base-Backbone interact. energy: -1.417
local terms energy: -734.659841
where:
bonds (distance) C4'-P energy: -161.369
bonds (distance) P-C4' energy: -156.088
flat angles C4'-P-C4' energy: -141.684
flat angles P-C4'-P energy: -105.395
tors. eta vs tors. theta energy: -170.123
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: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1999.001866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.001866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.001866 (E_RNA)
where:
Base-Base interactions energy: -1293.359
where: short stacking energy: -582.949
Base-Backbone interact. energy: -1.630
local terms energy: -704.013331
where:
bonds (distance) C4'-P energy: -151.906
bonds (distance) P-C4' energy: -140.610
flat angles C4'-P-C4' energy: -147.196
flat angles P-C4'-P energy: -96.230
tors. eta vs tors. theta energy: -168.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1786.536896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.536896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.536896 (E_RNA)
where:
Base-Base interactions energy: -1150.179
where: short stacking energy: -510.038
Base-Backbone interact. energy: -3.468
local terms energy: -632.889855
where:
bonds (distance) C4'-P energy: -147.412
bonds (distance) P-C4' energy: -147.032
flat angles C4'-P-C4' energy: -142.204
flat angles P-C4'-P energy: -75.646
tors. eta vs tors. theta energy: -120.596
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: 95
Temperature: 1.200000
Total energy: -1650.556091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.556091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.556091 (E_RNA)
where:
Base-Base interactions energy: -1050.058
where: short stacking energy: -478.788
Base-Backbone interact. energy: -0.422
local terms energy: -600.075844
where:
bonds (distance) C4'-P energy: -135.601
bonds (distance) P-C4' energy: -130.414
flat angles C4'-P-C4' energy: -157.547
flat angles P-C4'-P energy: -74.750
tors. eta vs tors. theta energy: -101.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1413.502799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.502799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.502799 (E_RNA)
where:
Base-Base interactions energy: -903.925
where: short stacking energy: -403.710
Base-Backbone interact. energy: 3.026
local terms energy: -512.603986
where:
bonds (distance) C4'-P energy: -125.197
bonds (distance) P-C4' energy: -124.505
flat angles C4'-P-C4' energy: -132.412
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: -55.651
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -917.898420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.898420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.898420 (E_RNA)
where:
Base-Base interactions energy: -455.145
where: short stacking energy: -271.553
Base-Backbone interact. energy: -3.118
local terms energy: -460.008271
where:
bonds (distance) C4'-P energy: -128.478
bonds (distance) P-C4' energy: -129.123
flat angles C4'-P-C4' energy: -120.765
flat angles P-C4'-P energy: -71.604
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.372 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -641.177086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.177086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.177086 (E_RNA)
where:
Base-Base interactions energy: -215.608
where: short stacking energy: -179.050
Base-Backbone interact. energy: -0.936
local terms energy: -424.966856
where:
bonds (distance) C4'-P energy: -120.284
bonds (distance) P-C4' energy: -131.925
flat angles C4'-P-C4' energy: -129.877
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: 5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.333 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2634.232836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.232836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.232836 (E_RNA)
where:
Base-Base interactions energy: -1789.574
where: short stacking energy: -783.840
Base-Backbone interact. energy: -4.907
local terms energy: -839.752268
where:
bonds (distance) C4'-P energy: -164.987
bonds (distance) P-C4' energy: -158.442
flat angles C4'-P-C4' energy: -179.904
flat angles P-C4'-P energy: -124.618
tors. eta vs tors. theta energy: -211.802
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: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2510.305119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.305119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.305119 (E_RNA)
where:
Base-Base interactions energy: -1718.717
where: short stacking energy: -754.747
Base-Backbone interact. energy: 1.942
local terms energy: -793.530010
where:
bonds (distance) C4'-P energy: -143.838
bonds (distance) P-C4' energy: -149.365
flat angles C4'-P-C4' energy: -166.325
flat angles P-C4'-P energy: -114.004
tors. eta vs tors. theta energy: -219.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2233.918467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.918467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.918467 (E_RNA)
where:
Base-Base interactions energy: -1504.010
where: short stacking energy: -614.289
Base-Backbone interact. energy: -3.371
local terms energy: -726.537610
where:
bonds (distance) C4'-P energy: -153.268
bonds (distance) P-C4' energy: -145.238
flat angles C4'-P-C4' energy: -165.953
flat angles P-C4'-P energy: -105.940
tors. eta vs tors. theta energy: -156.139
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2035.996536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.996536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.996536 (E_RNA)
where:
Base-Base interactions energy: -1327.222
where: short stacking energy: -605.485
Base-Backbone interact. energy: -2.464
local terms energy: -706.311163
where:
bonds (distance) C4'-P energy: -139.199
bonds (distance) P-C4' energy: -165.433
flat angles C4'-P-C4' energy: -147.431
flat angles P-C4'-P energy: -104.706
tors. eta vs tors. theta energy: -149.541
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: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2042.235867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.235867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.235867 (E_RNA)
where:
Base-Base interactions energy: -1347.563
where: short stacking energy: -525.594
Base-Backbone interact. energy: -4.668
local terms energy: -690.004688
where:
bonds (distance) C4'-P energy: -142.076
bonds (distance) P-C4' energy: -154.174
flat angles C4'-P-C4' energy: -146.030
flat angles P-C4'-P energy: -103.166
tors. eta vs tors. theta energy: -144.559
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: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1811.832638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.832638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.832638 (E_RNA)
where:
Base-Base interactions energy: -1184.356
where: short stacking energy: -525.109
Base-Backbone interact. energy: -4.227
local terms energy: -623.250378
where:
bonds (distance) C4'-P energy: -136.750
bonds (distance) P-C4' energy: -134.280
flat angles C4'-P-C4' energy: -140.001
flat angles P-C4'-P energy: -88.297
tors. eta vs tors. theta energy: -123.922
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: 96
Temperature: 1.200000
Total energy: -1611.020368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.020368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.020368 (E_RNA)
where:
Base-Base interactions energy: -1011.156
where: short stacking energy: -477.476
Base-Backbone interact. energy: 0.087
local terms energy: -599.951734
where:
bonds (distance) C4'-P energy: -140.672
bonds (distance) P-C4' energy: -152.069
flat angles C4'-P-C4' energy: -145.079
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -87.516
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1473.502934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.502934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.502934 (E_RNA)
where:
Base-Base interactions energy: -916.392
where: short stacking energy: -401.715
Base-Backbone interact. energy: 3.189
local terms energy: -560.300785
where:
bonds (distance) C4'-P energy: -131.180
bonds (distance) P-C4' energy: -145.977
flat angles C4'-P-C4' energy: -123.027
flat angles P-C4'-P energy: -85.049
tors. eta vs tors. theta energy: -75.068
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: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -937.525897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.525897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.525897 (E_RNA)
where:
Base-Base interactions energy: -450.333
where: short stacking energy: -269.970
Base-Backbone interact. energy: -1.782
local terms energy: -485.410083
where:
bonds (distance) C4'-P energy: -127.367
bonds (distance) P-C4' energy: -136.004
flat angles C4'-P-C4' energy: -116.051
flat angles P-C4'-P energy: -62.689
tors. eta vs tors. theta energy: -43.300
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: 96
Temperature: 1.350000
Total energy: -613.803348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.803348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.803348 (E_RNA)
where:
Base-Base interactions energy: -196.256
where: short stacking energy: -163.934
Base-Backbone interact. energy: 0.932
local terms energy: -418.479990
where:
bonds (distance) C4'-P energy: -134.507
bonds (distance) P-C4' energy: -142.813
flat angles C4'-P-C4' energy: -121.198
flat angles P-C4'-P energy: -54.692
tors. eta vs tors. theta energy: 34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2626.091644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.091644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.091644 (E_RNA)
where:
Base-Base interactions energy: -1777.451
where: short stacking energy: -792.746
Base-Backbone interact. energy: -3.133
local terms energy: -845.507821
where:
bonds (distance) C4'-P energy: -153.165
bonds (distance) P-C4' energy: -171.120
flat angles C4'-P-C4' energy: -184.702
flat angles P-C4'-P energy: -114.611
tors. eta vs tors. theta energy: -221.910
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: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2497.327533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.327533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.327533 (E_RNA)
where:
Base-Base interactions energy: -1670.634
where: short stacking energy: -739.113
Base-Backbone interact. energy: -2.362
local terms energy: -824.331347
where:
bonds (distance) C4'-P energy: -155.985
bonds (distance) P-C4' energy: -151.284
flat angles C4'-P-C4' energy: -174.153
flat angles P-C4'-P energy: -128.029
tors. eta vs tors. theta energy: -214.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2308.873244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.873244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.873244 (E_RNA)
where:
Base-Base interactions energy: -1548.955
where: short stacking energy: -683.444
Base-Backbone interact. energy: -1.669
local terms energy: -758.248613
where:
bonds (distance) C4'-P energy: -155.747
bonds (distance) P-C4' energy: -153.133
flat angles C4'-P-C4' energy: -157.655
flat angles P-C4'-P energy: -108.231
tors. eta vs tors. theta energy: -183.482
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2061.437255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.437255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.437255 (E_RNA)
where:
Base-Base interactions energy: -1322.264
where: short stacking energy: -619.432
Base-Backbone interact. energy: -1.333
local terms energy: -737.840894
where:
bonds (distance) C4'-P energy: -151.109
bonds (distance) P-C4' energy: -150.774
flat angles C4'-P-C4' energy: -153.519
flat angles P-C4'-P energy: -109.022
tors. eta vs tors. theta energy: -173.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2010.840203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.840203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.840203 (E_RNA)
where:
Base-Base interactions energy: -1310.492
where: short stacking energy: -565.504
Base-Backbone interact. energy: 4.789
local terms energy: -705.137338
where:
bonds (distance) C4'-P energy: -134.043
bonds (distance) P-C4' energy: -149.767
flat angles C4'-P-C4' energy: -165.027
flat angles P-C4'-P energy: -109.128
tors. eta vs tors. theta energy: -147.172
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: 97
Temperature: 1.150000
Total energy: -1888.472766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.472766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.472766 (E_RNA)
where:
Base-Base interactions energy: -1222.532
where: short stacking energy: -553.103
Base-Backbone interact. energy: 2.587
local terms energy: -668.527746
where:
bonds (distance) C4'-P energy: -141.975
bonds (distance) P-C4' energy: -130.026
flat angles C4'-P-C4' energy: -153.761
flat angles P-C4'-P energy: -93.803
tors. eta vs tors. theta energy: -148.962
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1655.372684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.372684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.372684 (E_RNA)
where:
Base-Base interactions energy: -1027.840
where: short stacking energy: -489.281
Base-Backbone interact. energy: -0.869
local terms energy: -626.664363
where:
bonds (distance) C4'-P energy: -139.800
bonds (distance) P-C4' energy: -139.969
flat angles C4'-P-C4' energy: -138.252
flat angles P-C4'-P energy: -92.042
tors. eta vs tors. theta energy: -116.601
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: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1482.741515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.741515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.741515 (E_RNA)
where:
Base-Base interactions energy: -923.696
where: short stacking energy: -390.591
Base-Backbone interact. energy: -5.842
local terms energy: -553.202935
where:
bonds (distance) C4'-P energy: -130.776
bonds (distance) P-C4' energy: -121.711
flat angles C4'-P-C4' energy: -143.193
flat angles P-C4'-P energy: -97.643
tors. eta vs tors. theta energy: -59.880
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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -919.410961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.410961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.410961 (E_RNA)
where:
Base-Base interactions energy: -451.499
where: short stacking energy: -293.026
Base-Backbone interact. energy: 7.107
local terms energy: -475.018749
where:
bonds (distance) C4'-P energy: -140.166
bonds (distance) P-C4' energy: -118.137
flat angles C4'-P-C4' energy: -129.844
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -577.012891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.012891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.012891 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -157.502
Base-Backbone interact. energy: -0.259
local terms energy: -399.293759
where:
bonds (distance) C4'-P energy: -130.362
bonds (distance) P-C4' energy: -133.772
flat angles C4'-P-C4' energy: -115.031
flat angles P-C4'-P energy: -65.739
tors. eta vs tors. theta energy: 45.610
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2549.361269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.361269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.361269 (E_RNA)
where:
Base-Base interactions energy: -1691.716
where: short stacking energy: -763.846
Base-Backbone interact. energy: -5.961
local terms energy: -851.684562
where:
bonds (distance) C4'-P energy: -160.447
bonds (distance) P-C4' energy: -172.613
flat angles C4'-P-C4' energy: -180.980
flat angles P-C4'-P energy: -115.723
tors. eta vs tors. theta energy: -221.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2471.767812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.767812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.767812 (E_RNA)
where:
Base-Base interactions energy: -1659.173
where: short stacking energy: -762.035
Base-Backbone interact. energy: -4.371
local terms energy: -808.223137
where:
bonds (distance) C4'-P energy: -164.922
bonds (distance) P-C4' energy: -141.016
flat angles C4'-P-C4' energy: -183.513
flat angles P-C4'-P energy: -107.890
tors. eta vs tors. theta energy: -210.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2201.454687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.454687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.454687 (E_RNA)
where:
Base-Base interactions energy: -1426.821
where: short stacking energy: -634.680
Base-Backbone interact. energy: -5.271
local terms energy: -769.362828
where:
bonds (distance) C4'-P energy: -150.541
bonds (distance) P-C4' energy: -157.257
flat angles C4'-P-C4' energy: -169.999
flat angles P-C4'-P energy: -117.659
tors. eta vs tors. theta energy: -173.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2074.803750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.803750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.803750 (E_RNA)
where:
Base-Base interactions energy: -1319.096
where: short stacking energy: -632.974
Base-Backbone interact. energy: -2.921
local terms energy: -752.787149
where:
bonds (distance) C4'-P energy: -149.017
bonds (distance) P-C4' energy: -160.873
flat angles C4'-P-C4' energy: -157.637
flat angles P-C4'-P energy: -115.179
tors. eta vs tors. theta energy: -170.081
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: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2023.234318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.234318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.234318 (E_RNA)
where:
Base-Base interactions energy: -1344.829
where: short stacking energy: -590.527
Base-Backbone interact. energy: -1.910
local terms energy: -676.495417
where:
bonds (distance) C4'-P energy: -130.864
bonds (distance) P-C4' energy: -151.816
flat angles C4'-P-C4' energy: -155.453
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -151.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1848.508265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.508265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.508265 (E_RNA)
where:
Base-Base interactions energy: -1172.409
where: short stacking energy: -537.066
Base-Backbone interact. energy: -1.266
local terms energy: -674.832928
where:
bonds (distance) C4'-P energy: -140.365
bonds (distance) P-C4' energy: -127.187
flat angles C4'-P-C4' energy: -160.030
flat angles P-C4'-P energy: -104.376
tors. eta vs tors. theta energy: -142.876
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: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1564.692046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.692046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.692046 (E_RNA)
where:
Base-Base interactions energy: -971.804
where: short stacking energy: -473.440
Base-Backbone interact. energy: 6.909
local terms energy: -599.796755
where:
bonds (distance) C4'-P energy: -129.657
bonds (distance) P-C4' energy: -155.022
flat angles C4'-P-C4' energy: -142.091
flat angles P-C4'-P energy: -67.888
tors. eta vs tors. theta energy: -105.138
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1522.750439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.750439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.750439 (E_RNA)
where:
Base-Base interactions energy: -941.446
where: short stacking energy: -413.564
Base-Backbone interact. energy: 1.809
local terms energy: -583.113514
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -150.429
flat angles C4'-P-C4' energy: -133.453
flat angles P-C4'-P energy: -97.434
tors. eta vs tors. theta energy: -68.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -905.289887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.289887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.289887 (E_RNA)
where:
Base-Base interactions energy: -413.166
where: short stacking energy: -245.553
Base-Backbone interact. energy: 4.848
local terms energy: -496.971969
where:
bonds (distance) C4'-P energy: -116.523
bonds (distance) P-C4' energy: -133.878
flat angles C4'-P-C4' energy: -135.420
flat angles P-C4'-P energy: -95.463
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -606.184179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.184179 (E_RNA)
where:
Base-Base interactions energy: -216.302
where: short stacking energy: -179.261
Base-Backbone interact. energy: -0.981
local terms energy: -388.901626
where:
bonds (distance) C4'-P energy: -131.289
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -112.438
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: 30.248
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: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2637.335780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.335780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.335780 (E_RNA)
where:
Base-Base interactions energy: -1792.328
where: short stacking energy: -763.528
Base-Backbone interact. energy: -1.581
local terms energy: -843.426783
where:
bonds (distance) C4'-P energy: -161.819
bonds (distance) P-C4' energy: -166.877
flat angles C4'-P-C4' energy: -185.971
flat angles P-C4'-P energy: -113.059
tors. eta vs tors. theta energy: -215.700
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: 2, replica: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2518.191057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.191057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.191057 (E_RNA)
where:
Base-Base interactions energy: -1673.556
where: short stacking energy: -759.098
Base-Backbone interact. energy: -1.566
local terms energy: -843.069277
where:
bonds (distance) C4'-P energy: -169.922
bonds (distance) P-C4' energy: -147.965
flat angles C4'-P-C4' energy: -182.283
flat angles P-C4'-P energy: -120.974
tors. eta vs tors. theta energy: -221.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2200.003441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.003441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.003441 (E_RNA)
where:
Base-Base interactions energy: -1460.147
where: short stacking energy: -613.318
Base-Backbone interact. energy: -2.710
local terms energy: -737.146832
where:
bonds (distance) C4'-P energy: -144.602
bonds (distance) P-C4' energy: -160.638
flat angles C4'-P-C4' energy: -164.297
flat angles P-C4'-P energy: -107.489
tors. eta vs tors. theta energy: -160.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2131.445471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.445471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.445471 (E_RNA)
where:
Base-Base interactions energy: -1386.162
where: short stacking energy: -604.833
Base-Backbone interact. energy: -3.851
local terms energy: -741.432620
where:
bonds (distance) C4'-P energy: -157.552
bonds (distance) P-C4' energy: -145.389
flat angles C4'-P-C4' energy: -158.811
flat angles P-C4'-P energy: -113.820
tors. eta vs tors. theta energy: -165.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2021.400031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.400031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.400031 (E_RNA)
where:
Base-Base interactions energy: -1276.295
where: short stacking energy: -591.253
Base-Backbone interact. energy: -2.893
local terms energy: -742.211837
where:
bonds (distance) C4'-P energy: -128.714
bonds (distance) P-C4' energy: -158.215
flat angles C4'-P-C4' energy: -174.329
flat angles P-C4'-P energy: -111.389
tors. eta vs tors. theta energy: -169.565
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1847.622158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.622158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.622158 (E_RNA)
where:
Base-Base interactions energy: -1210.184
where: short stacking energy: -540.562
Base-Backbone interact. energy: 2.316
local terms energy: -639.754040
where:
bonds (distance) C4'-P energy: -133.747
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -155.988
flat angles P-C4'-P energy: -77.577
tors. eta vs tors. theta energy: -137.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1633.720560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.720560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.720560 (E_RNA)
where:
Base-Base interactions energy: -1015.785
where: short stacking energy: -470.596
Base-Backbone interact. energy: 1.030
local terms energy: -618.965722
where:
bonds (distance) C4'-P energy: -132.472
bonds (distance) P-C4' energy: -154.925
flat angles C4'-P-C4' energy: -134.213
flat angles P-C4'-P energy: -93.517
tors. eta vs tors. theta energy: -103.839
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: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1471.586894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.586894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.586894 (E_RNA)
where:
Base-Base interactions energy: -910.536
where: short stacking energy: -434.504
Base-Backbone interact. energy: -2.578
local terms energy: -558.473016
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -138.675
flat angles C4'-P-C4' energy: -145.439
flat angles P-C4'-P energy: -61.737
tors. eta vs tors. theta energy: -80.998
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: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -857.645898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.645898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.645898 (E_RNA)
where:
Base-Base interactions energy: -425.400
where: short stacking energy: -253.936
Base-Backbone interact. energy: 2.903
local terms energy: -435.149051
where:
bonds (distance) C4'-P energy: -144.525
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -102.067
flat angles P-C4'-P energy: -60.907
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: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -604.597751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.597751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.597751 (E_RNA)
where:
Base-Base interactions energy: -192.187
where: short stacking energy: -180.061
Base-Backbone interact. energy: 1.239
local terms energy: -413.649966
where:
bonds (distance) C4'-P energy: -112.835
bonds (distance) P-C4' energy: -127.570
flat angles C4'-P-C4' energy: -123.766
flat angles P-C4'-P energy: -57.128
tors. eta vs tors. theta energy: 7.648
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: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2610.464005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.464005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.464005 (E_RNA)
where:
Base-Base interactions energy: -1784.077
where: short stacking energy: -747.568
Base-Backbone interact. energy: -2.693
local terms energy: -823.694467
where:
bonds (distance) C4'-P energy: -156.163
bonds (distance) P-C4' energy: -169.334
flat angles C4'-P-C4' energy: -185.577
flat angles P-C4'-P energy: -105.567
tors. eta vs tors. theta energy: -207.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2483.718113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.718113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.718113 (E_RNA)
where:
Base-Base interactions energy: -1634.584
where: short stacking energy: -738.026
Base-Backbone interact. energy: 5.852
local terms energy: -854.986260
where:
bonds (distance) C4'-P energy: -158.797
bonds (distance) P-C4' energy: -175.513
flat angles C4'-P-C4' energy: -178.967
flat angles P-C4'-P energy: -119.920
tors. eta vs tors. theta energy: -221.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2178.102545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.102545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.102545 (E_RNA)
where:
Base-Base interactions energy: -1420.961
where: short stacking energy: -636.744
Base-Backbone interact. energy: -3.752
local terms energy: -753.389095
where:
bonds (distance) C4'-P energy: -149.784
bonds (distance) P-C4' energy: -157.780
flat angles C4'-P-C4' energy: -169.726
flat angles P-C4'-P energy: -94.563
tors. eta vs tors. theta energy: -181.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2130.113840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.113840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.113840 (E_RNA)
where:
Base-Base interactions energy: -1398.567
where: short stacking energy: -590.177
Base-Backbone interact. energy: 6.621
local terms energy: -738.168114
where:
bonds (distance) C4'-P energy: -149.547
bonds (distance) P-C4' energy: -148.935
flat angles C4'-P-C4' energy: -152.517
flat angles P-C4'-P energy: -125.002
tors. eta vs tors. theta energy: -162.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2062.350982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.350982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.350982 (E_RNA)
where:
Base-Base interactions energy: -1366.159
where: short stacking energy: -614.125
Base-Backbone interact. energy: 1.477
local terms energy: -697.669561
where:
bonds (distance) C4'-P energy: -131.666
bonds (distance) P-C4' energy: -151.299
flat angles C4'-P-C4' energy: -158.541
flat angles P-C4'-P energy: -95.060
tors. eta vs tors. theta energy: -161.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1826.854322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.854322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.854322 (E_RNA)
where:
Base-Base interactions energy: -1179.070
where: short stacking energy: -519.348
Base-Backbone interact. energy: 2.959
local terms energy: -650.744171
where:
bonds (distance) C4'-P energy: -147.727
bonds (distance) P-C4' energy: -141.041
flat angles C4'-P-C4' energy: -149.342
flat angles P-C4'-P energy: -88.618
tors. eta vs tors. theta energy: -124.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1587.185071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.185071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.185071 (E_RNA)
where:
Base-Base interactions energy: -998.014
where: short stacking energy: -430.781
Base-Backbone interact. energy: 0.313
local terms energy: -589.484128
where:
bonds (distance) C4'-P energy: -127.717
bonds (distance) P-C4' energy: -143.408
flat angles C4'-P-C4' energy: -144.080
flat angles P-C4'-P energy: -85.153
tors. eta vs tors. theta energy: -89.126
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: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1467.363973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.363973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.363973 (E_RNA)
where:
Base-Base interactions energy: -911.232
where: short stacking energy: -388.457
Base-Backbone interact. energy: 2.517
local terms energy: -558.648416
where:
bonds (distance) C4'-P energy: -135.537
bonds (distance) P-C4' energy: -143.710
flat angles C4'-P-C4' energy: -127.947
flat angles P-C4'-P energy: -80.380
tors. eta vs tors. theta energy: -71.074
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: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -908.205232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.205232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.205232 (E_RNA)
where:
Base-Base interactions energy: -461.542
where: short stacking energy: -268.222
Base-Backbone interact. energy: -0.925
local terms energy: -445.738644
where:
bonds (distance) C4'-P energy: -122.107
bonds (distance) P-C4' energy: -120.142
flat angles C4'-P-C4' energy: -129.670
flat angles P-C4'-P energy: -64.719
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -596.603339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.603339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.603339 (E_RNA)
where:
Base-Base interactions energy: -205.015
where: short stacking energy: -183.683
Base-Backbone interact. energy: -1.205
local terms energy: -390.383453
where:
bonds (distance) C4'-P energy: -126.349
bonds (distance) P-C4' energy: -120.147
flat angles C4'-P-C4' energy: -103.810
flat angles P-C4'-P energy: -67.402
tors. eta vs tors. theta energy: 27.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2589.585849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.585849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.585849 (E_RNA)
where:
Base-Base interactions energy: -1757.987
where: short stacking energy: -734.154
Base-Backbone interact. energy: -1.433
local terms energy: -830.165591
where:
bonds (distance) C4'-P energy: -158.035
bonds (distance) P-C4' energy: -160.876
flat angles C4'-P-C4' energy: -188.302
flat angles P-C4'-P energy: -112.235
tors. eta vs tors. theta energy: -210.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2519.872024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.872024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.872024 (E_RNA)
where:
Base-Base interactions energy: -1691.657
where: short stacking energy: -743.415
Base-Backbone interact. energy: -1.781
local terms energy: -826.433395
where:
bonds (distance) C4'-P energy: -157.838
bonds (distance) P-C4' energy: -154.283
flat angles C4'-P-C4' energy: -176.448
flat angles P-C4'-P energy: -115.232
tors. eta vs tors. theta energy: -222.632
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2188.363805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.363805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.363805 (E_RNA)
where:
Base-Base interactions energy: -1450.540
where: short stacking energy: -648.305
Base-Backbone interact. energy: -4.182
local terms energy: -733.642132
where:
bonds (distance) C4'-P energy: -124.720
bonds (distance) P-C4' energy: -152.274
flat angles C4'-P-C4' energy: -172.679
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -197.445
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: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2109.473518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.473518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.473518 (E_RNA)
where:
Base-Base interactions energy: -1388.201
where: short stacking energy: -612.775
Base-Backbone interact. energy: -0.336
local terms energy: -720.936826
where:
bonds (distance) C4'-P energy: -129.779
bonds (distance) P-C4' energy: -149.462
flat angles C4'-P-C4' energy: -174.602
flat angles P-C4'-P energy: -104.393
tors. eta vs tors. theta energy: -162.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2026.111144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.111144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.111144 (E_RNA)
where:
Base-Base interactions energy: -1323.549
where: short stacking energy: -610.017
Base-Backbone interact. energy: 2.123
local terms energy: -704.685444
where:
bonds (distance) C4'-P energy: -158.145
bonds (distance) P-C4' energy: -134.320
flat angles C4'-P-C4' energy: -159.559
flat angles P-C4'-P energy: -89.682
tors. eta vs tors. theta energy: -162.979
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: 101
Temperature: 1.150000
Total energy: -1792.721863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.721863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.721863 (E_RNA)
where:
Base-Base interactions energy: -1145.375
where: short stacking energy: -501.209
Base-Backbone interact. energy: 0.717
local terms energy: -648.064017
where:
bonds (distance) C4'-P energy: -148.790
bonds (distance) P-C4' energy: -148.470
flat angles C4'-P-C4' energy: -149.123
flat angles P-C4'-P energy: -76.116
tors. eta vs tors. theta energy: -125.565
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: 101
Temperature: 1.200000
Total energy: -1634.798757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.798757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.798757 (E_RNA)
where:
Base-Base interactions energy: -1047.403
where: short stacking energy: -451.878
Base-Backbone interact. energy: -1.125
local terms energy: -586.271219
where:
bonds (distance) C4'-P energy: -130.854
bonds (distance) P-C4' energy: -138.418
flat angles C4'-P-C4' energy: -136.578
flat angles P-C4'-P energy: -94.974
tors. eta vs tors. theta energy: -85.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1488.279491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.279491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.279491 (E_RNA)
where:
Base-Base interactions energy: -920.806
where: short stacking energy: -439.345
Base-Backbone interact. energy: -4.533
local terms energy: -562.940774
where:
bonds (distance) C4'-P energy: -128.078
bonds (distance) P-C4' energy: -133.669
flat angles C4'-P-C4' energy: -144.018
flat angles P-C4'-P energy: -72.302
tors. eta vs tors. theta energy: -84.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -875.677204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.677204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.677204 (E_RNA)
where:
Base-Base interactions energy: -417.024
where: short stacking energy: -239.493
Base-Backbone interact. energy: -3.047
local terms energy: -455.606033
where:
bonds (distance) C4'-P energy: -137.427
bonds (distance) P-C4' energy: -152.407
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -59.376
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -629.376702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.376702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.376702 (E_RNA)
where:
Base-Base interactions energy: -228.125
where: short stacking energy: -166.429
Base-Backbone interact. energy: -1.010
local terms energy: -400.241524
where:
bonds (distance) C4'-P energy: -106.905
bonds (distance) P-C4' energy: -166.834
flat angles C4'-P-C4' energy: -117.168
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: 22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2609.412773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.412773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.412773 (E_RNA)
where:
Base-Base interactions energy: -1771.196
where: short stacking energy: -801.954
Base-Backbone interact. energy: -2.710
local terms energy: -835.506719
where:
bonds (distance) C4'-P energy: -160.863
bonds (distance) P-C4' energy: -159.135
flat angles C4'-P-C4' energy: -177.455
flat angles P-C4'-P energy: -109.687
tors. eta vs tors. theta energy: -228.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2489.381061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.381061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.381061 (E_RNA)
where:
Base-Base interactions energy: -1680.672
where: short stacking energy: -721.253
Base-Backbone interact. energy: -2.765
local terms energy: -805.943347
where:
bonds (distance) C4'-P energy: -157.911
bonds (distance) P-C4' energy: -158.821
flat angles C4'-P-C4' energy: -183.954
flat angles P-C4'-P energy: -106.943
tors. eta vs tors. theta energy: -198.314
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2176.897961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.897961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.897961 (E_RNA)
where:
Base-Base interactions energy: -1442.282
where: short stacking energy: -629.038
Base-Backbone interact. energy: -2.691
local terms energy: -731.925128
where:
bonds (distance) C4'-P energy: -133.800
bonds (distance) P-C4' energy: -155.037
flat angles C4'-P-C4' energy: -181.663
flat angles P-C4'-P energy: -104.923
tors. eta vs tors. theta energy: -156.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2089.954103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.954103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.954103 (E_RNA)
where:
Base-Base interactions energy: -1400.213
where: short stacking energy: -599.912
Base-Backbone interact. energy: 8.149
local terms energy: -697.890724
where:
bonds (distance) C4'-P energy: -151.404
bonds (distance) P-C4' energy: -146.523
flat angles C4'-P-C4' energy: -153.904
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -161.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2070.035341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.035341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.035341 (E_RNA)
where:
Base-Base interactions energy: -1348.073
where: short stacking energy: -606.751
Base-Backbone interact. energy: 1.230
local terms energy: -723.192601
where:
bonds (distance) C4'-P energy: -138.519
bonds (distance) P-C4' energy: -154.909
flat angles C4'-P-C4' energy: -165.579
flat angles P-C4'-P energy: -108.494
tors. eta vs tors. theta energy: -155.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1780.606779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.606779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.606779 (E_RNA)
where:
Base-Base interactions energy: -1157.238
where: short stacking energy: -522.519
Base-Backbone interact. energy: 0.098
local terms energy: -623.467202
where:
bonds (distance) C4'-P energy: -141.326
bonds (distance) P-C4' energy: -127.715
flat angles C4'-P-C4' energy: -152.077
flat angles P-C4'-P energy: -80.779
tors. eta vs tors. theta energy: -121.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1636.618945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.618945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.618945 (E_RNA)
where:
Base-Base interactions energy: -1015.694
where: short stacking energy: -458.353
Base-Backbone interact. energy: 0.263
local terms energy: -621.188402
where:
bonds (distance) C4'-P energy: -146.369
bonds (distance) P-C4' energy: -132.589
flat angles C4'-P-C4' energy: -152.431
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -81.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1520.844917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.844917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.844917 (E_RNA)
where:
Base-Base interactions energy: -970.215
where: short stacking energy: -446.850
Base-Backbone interact. energy: 3.798
local terms energy: -554.427874
where:
bonds (distance) C4'-P energy: -115.971
bonds (distance) P-C4' energy: -140.382
flat angles C4'-P-C4' energy: -118.631
flat angles P-C4'-P energy: -82.016
tors. eta vs tors. theta energy: -97.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -900.138706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.138706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.138706 (E_RNA)
where:
Base-Base interactions energy: -454.697
where: short stacking energy: -267.158
Base-Backbone interact. energy: 0.335
local terms energy: -445.777044
where:
bonds (distance) C4'-P energy: -124.374
bonds (distance) P-C4' energy: -129.011
flat angles C4'-P-C4' energy: -107.457
flat angles P-C4'-P energy: -71.461
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -584.434527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.434527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.434527 (E_RNA)
where:
Base-Base interactions energy: -187.577
where: short stacking energy: -157.682
Base-Backbone interact. energy: 2.391
local terms energy: -399.248627
where:
bonds (distance) C4'-P energy: -141.840
bonds (distance) P-C4' energy: -153.264
flat angles C4'-P-C4' energy: -79.445
flat angles P-C4'-P energy: -57.465
tors. eta vs tors. theta energy: 32.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2603.493813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.493813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.493813 (E_RNA)
where:
Base-Base interactions energy: -1743.929
where: short stacking energy: -787.798
Base-Backbone interact. energy: 1.807
local terms energy: -861.371982
where:
bonds (distance) C4'-P energy: -159.421
bonds (distance) P-C4' energy: -177.050
flat angles C4'-P-C4' energy: -185.647
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -219.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2510.262279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.262279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.262279 (E_RNA)
where:
Base-Base interactions energy: -1705.935
where: short stacking energy: -727.015
Base-Backbone interact. energy: -1.470
local terms energy: -802.856731
where:
bonds (distance) C4'-P energy: -156.166
bonds (distance) P-C4' energy: -166.147
flat angles C4'-P-C4' energy: -166.548
flat angles P-C4'-P energy: -114.775
tors. eta vs tors. theta energy: -199.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2148.419568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.419568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.419568 (E_RNA)
where:
Base-Base interactions energy: -1412.349
where: short stacking energy: -629.439
Base-Backbone interact. energy: -3.911
local terms energy: -732.159515
where:
bonds (distance) C4'-P energy: -157.483
bonds (distance) P-C4' energy: -154.271
flat angles C4'-P-C4' energy: -165.666
flat angles P-C4'-P energy: -108.369
tors. eta vs tors. theta energy: -146.371
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2156.830164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.830164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.830164 (E_RNA)
where:
Base-Base interactions energy: -1397.264
where: short stacking energy: -636.830
Base-Backbone interact. energy: -5.030
local terms energy: -754.535958
where:
bonds (distance) C4'-P energy: -136.013
bonds (distance) P-C4' energy: -167.461
flat angles C4'-P-C4' energy: -162.332
flat angles P-C4'-P energy: -105.503
tors. eta vs tors. theta energy: -183.226
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: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2051.253128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.253128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.253128 (E_RNA)
where:
Base-Base interactions energy: -1330.982
where: short stacking energy: -599.336
Base-Backbone interact. energy: 1.243
local terms energy: -721.514024
where:
bonds (distance) C4'-P energy: -142.289
bonds (distance) P-C4' energy: -154.648
flat angles C4'-P-C4' energy: -148.864
flat angles P-C4'-P energy: -110.129
tors. eta vs tors. theta energy: -165.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1772.274578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.274578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.274578 (E_RNA)
where:
Base-Base interactions energy: -1152.060
where: short stacking energy: -526.061
Base-Backbone interact. energy: 9.158
local terms energy: -629.373292
where:
bonds (distance) C4'-P energy: -142.142
bonds (distance) P-C4' energy: -142.941
flat angles C4'-P-C4' energy: -137.836
flat angles P-C4'-P energy: -91.637
tors. eta vs tors. theta energy: -114.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1593.318983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.318983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.318983 (E_RNA)
where:
Base-Base interactions energy: -1029.821
where: short stacking energy: -457.675
Base-Backbone interact. energy: 1.209
local terms energy: -564.707011
where:
bonds (distance) C4'-P energy: -115.488
bonds (distance) P-C4' energy: -130.877
flat angles C4'-P-C4' energy: -130.979
flat angles P-C4'-P energy: -87.625
tors. eta vs tors. theta energy: -99.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1634.214457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.214457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.214457 (E_RNA)
where:
Base-Base interactions energy: -1009.013
where: short stacking energy: -469.975
Base-Backbone interact. energy: 1.542
local terms energy: -626.743611
where:
bonds (distance) C4'-P energy: -154.017
bonds (distance) P-C4' energy: -134.797
flat angles C4'-P-C4' energy: -136.389
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -117.424
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: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -849.175922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.175922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.175922 (E_RNA)
where:
Base-Base interactions energy: -399.796
where: short stacking energy: -235.886
Base-Backbone interact. energy: -1.499
local terms energy: -447.880506
where:
bonds (distance) C4'-P energy: -117.450
bonds (distance) P-C4' energy: -143.016
flat angles C4'-P-C4' energy: -125.372
flat angles P-C4'-P energy: -66.878
tors. eta vs tors. theta energy: 4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -647.270628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.270628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.270628 (E_RNA)
where:
Base-Base interactions energy: -231.869
where: short stacking energy: -185.348
Base-Backbone interact. energy: -0.471
local terms energy: -414.930837
where:
bonds (distance) C4'-P energy: -114.203
bonds (distance) P-C4' energy: -145.445
flat angles C4'-P-C4' energy: -106.896
flat angles P-C4'-P energy: -86.834
tors. eta vs tors. theta energy: 38.447
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: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2581.846196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.846196 (E_RNA)
where:
Base-Base interactions energy: -1734.221
where: short stacking energy: -778.258
Base-Backbone interact. energy: -1.979
local terms energy: -845.645680
where:
bonds (distance) C4'-P energy: -158.865
bonds (distance) P-C4' energy: -153.162
flat angles C4'-P-C4' energy: -182.773
flat angles P-C4'-P energy: -121.440
tors. eta vs tors. theta energy: -229.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2516.760834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.760834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.760834 (E_RNA)
where:
Base-Base interactions energy: -1696.605
where: short stacking energy: -731.615
Base-Backbone interact. energy: -3.052
local terms energy: -817.104715
where:
bonds (distance) C4'-P energy: -152.710
bonds (distance) P-C4' energy: -160.011
flat angles C4'-P-C4' energy: -180.591
flat angles P-C4'-P energy: -107.436
tors. eta vs tors. theta energy: -216.356
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2251.613556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.613556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.613556 (E_RNA)
where:
Base-Base interactions energy: -1471.232
where: short stacking energy: -672.153
Base-Backbone interact. energy: -1.878
local terms energy: -778.504409
where:
bonds (distance) C4'-P energy: -165.755
bonds (distance) P-C4' energy: -157.206
flat angles C4'-P-C4' energy: -171.516
flat angles P-C4'-P energy: -105.026
tors. eta vs tors. theta energy: -179.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2078.598181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.598181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.598181 (E_RNA)
where:
Base-Base interactions energy: -1382.106
where: short stacking energy: -579.272
Base-Backbone interact. energy: 0.101
local terms energy: -696.593168
where:
bonds (distance) C4'-P energy: -155.870
bonds (distance) P-C4' energy: -153.119
flat angles C4'-P-C4' energy: -156.747
flat angles P-C4'-P energy: -88.511
tors. eta vs tors. theta energy: -142.346
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: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2088.763680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.763680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.763680 (E_RNA)
where:
Base-Base interactions energy: -1364.581
where: short stacking energy: -604.247
Base-Backbone interact. energy: -3.059
local terms energy: -721.123356
where:
bonds (distance) C4'-P energy: -154.750
bonds (distance) P-C4' energy: -147.268
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -102.572
tors. eta vs tors. theta energy: -157.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1805.165921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.165921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.165921 (E_RNA)
where:
Base-Base interactions energy: -1159.571
where: short stacking energy: -542.756
Base-Backbone interact. energy: -5.748
local terms energy: -640.111094
where:
bonds (distance) C4'-P energy: -138.022
bonds (distance) P-C4' energy: -147.028
flat angles C4'-P-C4' energy: -150.473
flat angles P-C4'-P energy: -80.843
tors. eta vs tors. theta energy: -123.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1654.478042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.478042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.478042 (E_RNA)
where:
Base-Base interactions energy: -1068.391
where: short stacking energy: -466.420
Base-Backbone interact. energy: -1.094
local terms energy: -584.993163
where:
bonds (distance) C4'-P energy: -122.188
bonds (distance) P-C4' energy: -139.454
flat angles C4'-P-C4' energy: -134.598
flat angles P-C4'-P energy: -95.143
tors. eta vs tors. theta energy: -93.609
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: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1527.333872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.333872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.333872 (E_RNA)
where:
Base-Base interactions energy: -934.834
where: short stacking energy: -422.608
Base-Backbone interact. energy: -1.228
local terms energy: -591.271292
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -139.250
flat angles C4'-P-C4' energy: -131.762
flat angles P-C4'-P energy: -91.914
tors. eta vs tors. theta energy: -88.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -921.804187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.804187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.804187 (E_RNA)
where:
Base-Base interactions energy: -463.587
where: short stacking energy: -286.402
Base-Backbone interact. energy: 3.249
local terms energy: -461.466270
where:
bonds (distance) C4'-P energy: -127.969
bonds (distance) P-C4' energy: -127.331
flat angles C4'-P-C4' energy: -134.275
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -635.671723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.671723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.671723 (E_RNA)
where:
Base-Base interactions energy: -237.255
where: short stacking energy: -174.829
Base-Backbone interact. energy: 5.718
local terms energy: -406.340183
where:
bonds (distance) C4'-P energy: -128.497
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -108.432
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: 20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.206 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2603.238619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.238619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.238619 (E_RNA)
where:
Base-Base interactions energy: -1752.853
where: short stacking energy: -780.487
Base-Backbone interact. energy: -2.267
local terms energy: -848.118951
where:
bonds (distance) C4'-P energy: -159.769
bonds (distance) P-C4' energy: -173.869
flat angles C4'-P-C4' energy: -187.149
flat angles P-C4'-P energy: -92.828
tors. eta vs tors. theta energy: -234.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2482.019206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.019206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.019206 (E_RNA)
where:
Base-Base interactions energy: -1691.163
where: short stacking energy: -730.789
Base-Backbone interact. energy: -0.743
local terms energy: -790.113614
where:
bonds (distance) C4'-P energy: -161.128
bonds (distance) P-C4' energy: -159.103
flat angles C4'-P-C4' energy: -178.241
flat angles P-C4'-P energy: -103.100
tors. eta vs tors. theta energy: -188.541
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: 105
Temperature: 1.000000
Total energy: -2238.484641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.484641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.484641 (E_RNA)
where:
Base-Base interactions energy: -1448.405
where: short stacking energy: -642.447
Base-Backbone interact. energy: 3.241
local terms energy: -793.320182
where:
bonds (distance) C4'-P energy: -174.179
bonds (distance) P-C4' energy: -155.286
flat angles C4'-P-C4' energy: -170.372
flat angles P-C4'-P energy: -118.114
tors. eta vs tors. theta energy: -175.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2114.942307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.942307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.942307 (E_RNA)
where:
Base-Base interactions energy: -1391.886
where: short stacking energy: -599.091
Base-Backbone interact. energy: 4.608
local terms energy: -727.664279
where:
bonds (distance) C4'-P energy: -137.991
bonds (distance) P-C4' energy: -157.312
flat angles C4'-P-C4' energy: -174.549
flat angles P-C4'-P energy: -104.711
tors. eta vs tors. theta energy: -153.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2075.552276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.552276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.552276 (E_RNA)
where:
Base-Base interactions energy: -1350.078
where: short stacking energy: -595.498
Base-Backbone interact. energy: -0.586
local terms energy: -724.887964
where:
bonds (distance) C4'-P energy: -143.524
bonds (distance) P-C4' energy: -153.733
flat angles C4'-P-C4' energy: -157.365
flat angles P-C4'-P energy: -106.377
tors. eta vs tors. theta energy: -163.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1782.789283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.789283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.789283 (E_RNA)
where:
Base-Base interactions energy: -1133.268
where: short stacking energy: -543.556
Base-Backbone interact. energy: -3.588
local terms energy: -645.933646
where:
bonds (distance) C4'-P energy: -138.177
bonds (distance) P-C4' energy: -124.855
flat angles C4'-P-C4' energy: -160.314
flat angles P-C4'-P energy: -97.050
tors. eta vs tors. theta energy: -125.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1661.335235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.335235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.335235 (E_RNA)
where:
Base-Base interactions energy: -1067.354
where: short stacking energy: -480.216
Base-Backbone interact. energy: -2.891
local terms energy: -591.090316
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -134.118
flat angles C4'-P-C4' energy: -150.682
flat angles P-C4'-P energy: -91.588
tors. eta vs tors. theta energy: -100.718
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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1505.319927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.319927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.319927 (E_RNA)
where:
Base-Base interactions energy: -913.766
where: short stacking energy: -421.725
Base-Backbone interact. energy: -2.858
local terms energy: -588.695859
where:
bonds (distance) C4'-P energy: -141.157
bonds (distance) P-C4' energy: -150.521
flat angles C4'-P-C4' energy: -127.258
flat angles P-C4'-P energy: -84.830
tors. eta vs tors. theta energy: -84.930
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -894.467201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.467201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.467201 (E_RNA)
where:
Base-Base interactions energy: -448.421
where: short stacking energy: -261.829
Base-Backbone interact. energy: -0.245
local terms energy: -445.801012
where:
bonds (distance) C4'-P energy: -122.323
bonds (distance) P-C4' energy: -138.121
flat angles C4'-P-C4' energy: -124.703
flat angles P-C4'-P energy: -67.160
tors. eta vs tors. theta energy: 6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -589.889837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.889837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.889837 (E_RNA)
where:
Base-Base interactions energy: -183.616
where: short stacking energy: -139.051
Base-Backbone interact. energy: 4.253
local terms energy: -410.527723
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -152.647
flat angles C4'-P-C4' energy: -102.804
flat angles P-C4'-P energy: -74.886
tors. eta vs tors. theta energy: 32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2599.894408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.894408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.894408 (E_RNA)
where:
Base-Base interactions energy: -1737.969
where: short stacking energy: -796.786
Base-Backbone interact. energy: -2.886
local terms energy: -859.039338
where:
bonds (distance) C4'-P energy: -147.019
bonds (distance) P-C4' energy: -176.155
flat angles C4'-P-C4' energy: -180.484
flat angles P-C4'-P energy: -115.550
tors. eta vs tors. theta energy: -239.831
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: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2479.361166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.361166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.361166 (E_RNA)
where:
Base-Base interactions energy: -1643.961
where: short stacking energy: -707.922
Base-Backbone interact. energy: -1.618
local terms energy: -833.782703
where:
bonds (distance) C4'-P energy: -162.084
bonds (distance) P-C4' energy: -163.723
flat angles C4'-P-C4' energy: -183.082
flat angles P-C4'-P energy: -119.029
tors. eta vs tors. theta energy: -205.865
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: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2233.161596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.161596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.161596 (E_RNA)
where:
Base-Base interactions energy: -1447.372
where: short stacking energy: -670.271
Base-Backbone interact. energy: -3.276
local terms energy: -782.512640
where:
bonds (distance) C4'-P energy: -162.958
bonds (distance) P-C4' energy: -153.364
flat angles C4'-P-C4' energy: -172.903
flat angles P-C4'-P energy: -108.185
tors. eta vs tors. theta energy: -185.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2112.803059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.803059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.803059 (E_RNA)
where:
Base-Base interactions energy: -1415.155
where: short stacking energy: -579.256
Base-Backbone interact. energy: -2.082
local terms energy: -695.565518
where:
bonds (distance) C4'-P energy: -155.081
bonds (distance) P-C4' energy: -147.423
flat angles C4'-P-C4' energy: -161.411
flat angles P-C4'-P energy: -92.900
tors. eta vs tors. theta energy: -138.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2021.923257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.923257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.923257 (E_RNA)
where:
Base-Base interactions energy: -1345.521
where: short stacking energy: -569.761
Base-Backbone interact. energy: -3.507
local terms energy: -672.894660
where:
bonds (distance) C4'-P energy: -142.543
bonds (distance) P-C4' energy: -126.751
flat angles C4'-P-C4' energy: -153.741
flat angles P-C4'-P energy: -105.488
tors. eta vs tors. theta energy: -144.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1700.330341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.330341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.330341 (E_RNA)
where:
Base-Base interactions energy: -1093.644
where: short stacking energy: -500.090
Base-Backbone interact. energy: -5.831
local terms energy: -600.855928
where:
bonds (distance) C4'-P energy: -143.960
bonds (distance) P-C4' energy: -141.061
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -91.468
tors. eta vs tors. theta energy: -118.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1671.210889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.210889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.210889 (E_RNA)
where:
Base-Base interactions energy: -1022.435
where: short stacking energy: -452.202
Base-Backbone interact. energy: -3.491
local terms energy: -645.285275
where:
bonds (distance) C4'-P energy: -133.419
bonds (distance) P-C4' energy: -154.559
flat angles C4'-P-C4' energy: -154.818
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -115.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1576.071383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.071383 (E_RNA)
where:
Base-Base interactions energy: -986.201
where: short stacking energy: -452.786
Base-Backbone interact. energy: -0.227
local terms energy: -589.643322
where:
bonds (distance) C4'-P energy: -113.315
bonds (distance) P-C4' energy: -146.734
flat angles C4'-P-C4' energy: -134.949
flat angles P-C4'-P energy: -91.409
tors. eta vs tors. theta energy: -103.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -889.878854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.878854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.878854 (E_RNA)
where:
Base-Base interactions energy: -431.178
where: short stacking energy: -254.315
Base-Backbone interact. energy: 2.687
local terms energy: -461.388174
where:
bonds (distance) C4'-P energy: -132.836
bonds (distance) P-C4' energy: -131.370
flat angles C4'-P-C4' energy: -109.278
flat angles P-C4'-P energy: -73.335
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -581.221821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.221821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.221821 (E_RNA)
where:
Base-Base interactions energy: -184.872
where: short stacking energy: -162.531
Base-Backbone interact. energy: 1.978
local terms energy: -398.327868
where:
bonds (distance) C4'-P energy: -124.269
bonds (distance) P-C4' energy: -131.660
flat angles C4'-P-C4' energy: -108.718
flat angles P-C4'-P energy: -64.348
tors. eta vs tors. theta energy: 30.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2603.646836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.646836 (E_RNA)
where:
Base-Base interactions energy: -1737.403
where: short stacking energy: -770.297
Base-Backbone interact. energy: -1.506
local terms energy: -864.738142
where:
bonds (distance) C4'-P energy: -172.645
bonds (distance) P-C4' energy: -152.332
flat angles C4'-P-C4' energy: -195.392
flat angles P-C4'-P energy: -117.411
tors. eta vs tors. theta energy: -226.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2426.694058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.694058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.694058 (E_RNA)
where:
Base-Base interactions energy: -1615.431
where: short stacking energy: -713.251
Base-Backbone interact. energy: -5.351
local terms energy: -805.912058
where:
bonds (distance) C4'-P energy: -142.102
bonds (distance) P-C4' energy: -168.427
flat angles C4'-P-C4' energy: -178.292
flat angles P-C4'-P energy: -113.289
tors. eta vs tors. theta energy: -203.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2230.527645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.527645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.527645 (E_RNA)
where:
Base-Base interactions energy: -1468.037
where: short stacking energy: -670.422
Base-Backbone interact. energy: -3.472
local terms energy: -759.018957
where:
bonds (distance) C4'-P energy: -136.579
bonds (distance) P-C4' energy: -162.505
flat angles C4'-P-C4' energy: -164.465
flat angles P-C4'-P energy: -116.358
tors. eta vs tors. theta energy: -179.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2186.213046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.213046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.213046 (E_RNA)
where:
Base-Base interactions energy: -1455.716
where: short stacking energy: -656.817
Base-Backbone interact. energy: 4.414
local terms energy: -734.911318
where:
bonds (distance) C4'-P energy: -134.028
bonds (distance) P-C4' energy: -145.562
flat angles C4'-P-C4' energy: -166.286
flat angles P-C4'-P energy: -116.991
tors. eta vs tors. theta energy: -172.044
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: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2040.350929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.350929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.350929 (E_RNA)
where:
Base-Base interactions energy: -1362.073
where: short stacking energy: -592.020
Base-Backbone interact. energy: -0.553
local terms energy: -677.725135
where:
bonds (distance) C4'-P energy: -141.206
bonds (distance) P-C4' energy: -137.195
flat angles C4'-P-C4' energy: -150.560
flat angles P-C4'-P energy: -103.822
tors. eta vs tors. theta energy: -144.942
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: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1720.353665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.353665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.353665 (E_RNA)
where:
Base-Base interactions energy: -1057.531
where: short stacking energy: -505.879
Base-Backbone interact. energy: -0.432
local terms energy: -662.391100
where:
bonds (distance) C4'-P energy: -140.491
bonds (distance) P-C4' energy: -168.726
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -82.331
tors. eta vs tors. theta energy: -110.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1608.177699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.177699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.177699 (E_RNA)
where:
Base-Base interactions energy: -1007.868
where: short stacking energy: -484.963
Base-Backbone interact. energy: 3.150
local terms energy: -603.460269
where:
bonds (distance) C4'-P energy: -129.460
bonds (distance) P-C4' energy: -140.817
flat angles C4'-P-C4' energy: -134.320
flat angles P-C4'-P energy: -87.570
tors. eta vs tors. theta energy: -111.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1540.908036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.908036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.908036 (E_RNA)
where:
Base-Base interactions energy: -979.426
where: short stacking energy: -422.903
Base-Backbone interact. energy: 1.519
local terms energy: -563.000586
where:
bonds (distance) C4'-P energy: -137.083
bonds (distance) P-C4' energy: -132.916
flat angles C4'-P-C4' energy: -131.366
flat angles P-C4'-P energy: -72.507
tors. eta vs tors. theta energy: -89.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -881.937747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.937747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.937747 (E_RNA)
where:
Base-Base interactions energy: -415.746
where: short stacking energy: -236.673
Base-Backbone interact. energy: -2.953
local terms energy: -463.239405
where:
bonds (distance) C4'-P energy: -138.399
bonds (distance) P-C4' energy: -146.015
flat angles C4'-P-C4' energy: -103.235
flat angles P-C4'-P energy: -89.962
tors. eta vs tors. theta energy: 14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -608.577691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.577691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.577691 (E_RNA)
where:
Base-Base interactions energy: -179.699
where: short stacking energy: -152.867
Base-Backbone interact. energy: -2.302
local terms energy: -426.576498
where:
bonds (distance) C4'-P energy: -138.007
bonds (distance) P-C4' energy: -162.792
flat angles C4'-P-C4' energy: -121.317
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: 53.358
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: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2601.059144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.059144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.059144 (E_RNA)
where:
Base-Base interactions energy: -1758.773
where: short stacking energy: -785.926
Base-Backbone interact. energy: -2.140
local terms energy: -840.146281
where:
bonds (distance) C4'-P energy: -151.562
bonds (distance) P-C4' energy: -169.267
flat angles C4'-P-C4' energy: -184.897
flat angles P-C4'-P energy: -121.043
tors. eta vs tors. theta energy: -213.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2486.914447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.914447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.914447 (E_RNA)
where:
Base-Base interactions energy: -1655.291
where: short stacking energy: -725.616
Base-Backbone interact. energy: -6.451
local terms energy: -825.172629
where:
bonds (distance) C4'-P energy: -145.388
bonds (distance) P-C4' energy: -166.992
flat angles C4'-P-C4' energy: -177.906
flat angles P-C4'-P energy: -133.615
tors. eta vs tors. theta energy: -201.271
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2251.961286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.961286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.961286 (E_RNA)
where:
Base-Base interactions energy: -1452.472
where: short stacking energy: -661.753
Base-Backbone interact. energy: -4.406
local terms energy: -795.083535
where:
bonds (distance) C4'-P energy: -150.998
bonds (distance) P-C4' energy: -170.551
flat angles C4'-P-C4' energy: -172.692
flat angles P-C4'-P energy: -108.242
tors. eta vs tors. theta energy: -192.601
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: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2149.259885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.259885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.259885 (E_RNA)
where:
Base-Base interactions energy: -1396.107
where: short stacking energy: -638.157
Base-Backbone interact. energy: -2.872
local terms energy: -750.280458
where:
bonds (distance) C4'-P energy: -165.289
bonds (distance) P-C4' energy: -158.623
flat angles C4'-P-C4' energy: -159.514
flat angles P-C4'-P energy: -93.459
tors. eta vs tors. theta energy: -173.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1996.112243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.112243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.112243 (E_RNA)
where:
Base-Base interactions energy: -1329.755
where: short stacking energy: -563.527
Base-Backbone interact. energy: -3.338
local terms energy: -663.019373
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -163.147
flat angles C4'-P-C4' energy: -156.219
flat angles P-C4'-P energy: -84.377
tors. eta vs tors. theta energy: -132.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1812.170651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.170651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.170651 (E_RNA)
where:
Base-Base interactions energy: -1177.758
where: short stacking energy: -550.341
Base-Backbone interact. energy: 5.473
local terms energy: -639.884925
where:
bonds (distance) C4'-P energy: -135.582
bonds (distance) P-C4' energy: -131.615
flat angles C4'-P-C4' energy: -142.826
flat angles P-C4'-P energy: -93.260
tors. eta vs tors. theta energy: -136.600
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: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1652.379021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.379021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.379021 (E_RNA)
where:
Base-Base interactions energy: -1058.082
where: short stacking energy: -463.466
Base-Backbone interact. energy: -4.727
local terms energy: -589.570197
where:
bonds (distance) C4'-P energy: -127.032
bonds (distance) P-C4' energy: -137.144
flat angles C4'-P-C4' energy: -136.414
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -105.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1495.117843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.117843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.117843 (E_RNA)
where:
Base-Base interactions energy: -917.326
where: short stacking energy: -427.558
Base-Backbone interact. energy: 0.335
local terms energy: -578.127001
where:
bonds (distance) C4'-P energy: -123.287
bonds (distance) P-C4' energy: -153.800
flat angles C4'-P-C4' energy: -138.210
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -94.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -886.818843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.818843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.818843 (E_RNA)
where:
Base-Base interactions energy: -420.882
where: short stacking energy: -241.757
Base-Backbone interact. energy: 3.355
local terms energy: -469.292201
where:
bonds (distance) C4'-P energy: -111.259
bonds (distance) P-C4' energy: -151.980
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -18.159
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: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -643.717814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.717814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.717814 (E_RNA)
where:
Base-Base interactions energy: -232.160
where: short stacking energy: -188.348
Base-Backbone interact. energy: 5.068
local terms energy: -416.626148
where:
bonds (distance) C4'-P energy: -143.720
bonds (distance) P-C4' energy: -142.154
flat angles C4'-P-C4' energy: -100.701
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: 26.380
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: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2611.674464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.674464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.674464 (E_RNA)
where:
Base-Base interactions energy: -1758.611
where: short stacking energy: -757.276
Base-Backbone interact. energy: -1.963
local terms energy: -851.100368
where:
bonds (distance) C4'-P energy: -155.729
bonds (distance) P-C4' energy: -168.639
flat angles C4'-P-C4' energy: -176.186
flat angles P-C4'-P energy: -126.255
tors. eta vs tors. theta energy: -224.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2436.044221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.044221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.044221 (E_RNA)
where:
Base-Base interactions energy: -1612.318
where: short stacking energy: -723.859
Base-Backbone interact. energy: -3.018
local terms energy: -820.707588
where:
bonds (distance) C4'-P energy: -160.383
bonds (distance) P-C4' energy: -168.389
flat angles C4'-P-C4' energy: -176.436
flat angles P-C4'-P energy: -116.327
tors. eta vs tors. theta energy: -199.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2256.273573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.273573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.273573 (E_RNA)
where:
Base-Base interactions energy: -1500.269
where: short stacking energy: -680.665
Base-Backbone interact. energy: -3.331
local terms energy: -752.673712
where:
bonds (distance) C4'-P energy: -133.447
bonds (distance) P-C4' energy: -143.657
flat angles C4'-P-C4' energy: -170.550
flat angles P-C4'-P energy: -105.610
tors. eta vs tors. theta energy: -199.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2138.384019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.384019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.384019 (E_RNA)
where:
Base-Base interactions energy: -1423.407
where: short stacking energy: -625.768
Base-Backbone interact. energy: 1.773
local terms energy: -716.749783
where:
bonds (distance) C4'-P energy: -138.858
bonds (distance) P-C4' energy: -157.852
flat angles C4'-P-C4' energy: -157.071
flat angles P-C4'-P energy: -92.089
tors. eta vs tors. theta energy: -170.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1968.827830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.827830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.827830 (E_RNA)
where:
Base-Base interactions energy: -1289.689
where: short stacking energy: -564.058
Base-Backbone interact. energy: 2.498
local terms energy: -681.636496
where:
bonds (distance) C4'-P energy: -142.346
bonds (distance) P-C4' energy: -130.482
flat angles C4'-P-C4' energy: -166.873
flat angles P-C4'-P energy: -101.255
tors. eta vs tors. theta energy: -140.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1834.637827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.637827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.637827 (E_RNA)
where:
Base-Base interactions energy: -1166.579
where: short stacking energy: -526.772
Base-Backbone interact. energy: -2.469
local terms energy: -665.589469
where:
bonds (distance) C4'-P energy: -128.424
bonds (distance) P-C4' energy: -138.867
flat angles C4'-P-C4' energy: -159.816
flat angles P-C4'-P energy: -110.998
tors. eta vs tors. theta energy: -127.484
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: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1651.740610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.740610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.740610 (E_RNA)
where:
Base-Base interactions energy: -1084.221
where: short stacking energy: -496.860
Base-Backbone interact. energy: 6.647
local terms energy: -574.165783
where:
bonds (distance) C4'-P energy: -95.230
bonds (distance) P-C4' energy: -134.839
flat angles C4'-P-C4' energy: -150.471
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -107.594
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: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1375.356528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.356528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.356528 (E_RNA)
where:
Base-Base interactions energy: -839.426
where: short stacking energy: -395.548
Base-Backbone interact. energy: -3.411
local terms energy: -532.519500
where:
bonds (distance) C4'-P energy: -112.883
bonds (distance) P-C4' energy: -140.586
flat angles C4'-P-C4' energy: -122.039
flat angles P-C4'-P energy: -86.915
tors. eta vs tors. theta energy: -70.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -930.563070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.563070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.563070 (E_RNA)
where:
Base-Base interactions energy: -456.355
where: short stacking energy: -260.960
Base-Backbone interact. energy: 0.675
local terms energy: -474.882737
where:
bonds (distance) C4'-P energy: -127.321
bonds (distance) P-C4' energy: -133.483
flat angles C4'-P-C4' energy: -135.505
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -2.919
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: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -593.283683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.283683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.283683 (E_RNA)
where:
Base-Base interactions energy: -177.846
where: short stacking energy: -153.916
Base-Backbone interact. energy: -0.894
local terms energy: -414.543659
where:
bonds (distance) C4'-P energy: -128.137
bonds (distance) P-C4' energy: -138.091
flat angles C4'-P-C4' energy: -118.936
flat angles P-C4'-P energy: -63.664
tors. eta vs tors. theta energy: 34.284
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: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2600.400437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.400437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.400437 (E_RNA)
where:
Base-Base interactions energy: -1759.495
where: short stacking energy: -771.642
Base-Backbone interact. energy: 0.112
local terms energy: -841.018167
where:
bonds (distance) C4'-P energy: -160.588
bonds (distance) P-C4' energy: -153.392
flat angles C4'-P-C4' energy: -185.306
flat angles P-C4'-P energy: -111.916
tors. eta vs tors. theta energy: -229.817
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: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2480.828554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.828554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.828554 (E_RNA)
where:
Base-Base interactions energy: -1684.760
where: short stacking energy: -743.411
Base-Backbone interact. energy: -0.940
local terms energy: -795.128977
where:
bonds (distance) C4'-P energy: -152.964
bonds (distance) P-C4' energy: -144.416
flat angles C4'-P-C4' energy: -155.350
flat angles P-C4'-P energy: -116.181
tors. eta vs tors. theta energy: -226.218
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: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2262.498607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.498607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.498607 (E_RNA)
where:
Base-Base interactions energy: -1458.822
where: short stacking energy: -661.208
Base-Backbone interact. energy: 0.617
local terms energy: -804.293698
where:
bonds (distance) C4'-P energy: -150.621
bonds (distance) P-C4' energy: -163.076
flat angles C4'-P-C4' energy: -181.972
flat angles P-C4'-P energy: -110.356
tors. eta vs tors. theta energy: -198.268
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: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2107.159398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.159398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.159398 (E_RNA)
where:
Base-Base interactions energy: -1379.613
where: short stacking energy: -629.054
Base-Backbone interact. energy: -2.941
local terms energy: -724.605269
where:
bonds (distance) C4'-P energy: -143.333
bonds (distance) P-C4' energy: -143.878
flat angles C4'-P-C4' energy: -158.217
flat angles P-C4'-P energy: -113.581
tors. eta vs tors. theta energy: -165.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1979.142499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.142499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.142499 (E_RNA)
where:
Base-Base interactions energy: -1296.474
where: short stacking energy: -579.638
Base-Backbone interact. energy: 2.974
local terms energy: -685.642212
where:
bonds (distance) C4'-P energy: -146.889
bonds (distance) P-C4' energy: -147.044
flat angles C4'-P-C4' energy: -156.736
flat angles P-C4'-P energy: -94.512
tors. eta vs tors. theta energy: -140.460
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1847.045839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.045839 (E_RNA)
where:
Base-Base interactions energy: -1193.364
where: short stacking energy: -550.971
Base-Backbone interact. energy: -0.057
local terms energy: -653.625143
where:
bonds (distance) C4'-P energy: -146.551
bonds (distance) P-C4' energy: -151.612
flat angles C4'-P-C4' energy: -141.232
flat angles P-C4'-P energy: -83.312
tors. eta vs tors. theta energy: -130.918
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: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1659.846915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.846915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.846915 (E_RNA)
where:
Base-Base interactions energy: -1046.404
where: short stacking energy: -504.509
Base-Backbone interact. energy: -3.115
local terms energy: -610.328115
where:
bonds (distance) C4'-P energy: -132.323
bonds (distance) P-C4' energy: -130.915
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -94.587
tors. eta vs tors. theta energy: -113.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1428.071135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.071135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.071135 (E_RNA)
where:
Base-Base interactions energy: -864.391
where: short stacking energy: -389.760
Base-Backbone interact. energy: 1.855
local terms energy: -565.535174
where:
bonds (distance) C4'-P energy: -133.482
bonds (distance) P-C4' energy: -156.267
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -58.139
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: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -953.201908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.201908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.201908 (E_RNA)
where:
Base-Base interactions energy: -507.865
where: short stacking energy: -268.539
Base-Backbone interact. energy: 1.693
local terms energy: -447.030397
where:
bonds (distance) C4'-P energy: -116.283
bonds (distance) P-C4' energy: -134.191
flat angles C4'-P-C4' energy: -122.012
flat angles P-C4'-P energy: -61.872
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -606.606256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.606256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.606256 (E_RNA)
where:
Base-Base interactions energy: -190.641
where: short stacking energy: -173.548
Base-Backbone interact. energy: 6.175
local terms energy: -422.140406
where:
bonds (distance) C4'-P energy: -139.879
bonds (distance) P-C4' energy: -127.249
flat angles C4'-P-C4' energy: -116.866
flat angles P-C4'-P energy: -68.109
tors. eta vs tors. theta energy: 29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2623.395803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.395803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.395803 (E_RNA)
where:
Base-Base interactions energy: -1748.269
where: short stacking energy: -807.314
Base-Backbone interact. energy: 0.425
local terms energy: -875.551659
where:
bonds (distance) C4'-P energy: -166.427
bonds (distance) P-C4' energy: -162.925
flat angles C4'-P-C4' energy: -180.565
flat angles P-C4'-P energy: -119.998
tors. eta vs tors. theta energy: -245.637
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: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2470.151964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.151964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.151964 (E_RNA)
where:
Base-Base interactions energy: -1645.337
where: short stacking energy: -708.505
Base-Backbone interact. energy: -0.282
local terms energy: -824.532496
where:
bonds (distance) C4'-P energy: -152.215
bonds (distance) P-C4' energy: -170.189
flat angles C4'-P-C4' energy: -174.984
flat angles P-C4'-P energy: -119.503
tors. eta vs tors. theta energy: -207.642
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2279.524515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.524515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.524515 (E_RNA)
where:
Base-Base interactions energy: -1491.106
where: short stacking energy: -671.156
Base-Backbone interact. energy: -4.301
local terms energy: -784.117225
where:
bonds (distance) C4'-P energy: -159.601
bonds (distance) P-C4' energy: -149.576
flat angles C4'-P-C4' energy: -165.466
flat angles P-C4'-P energy: -117.528
tors. eta vs tors. theta energy: -191.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2130.053134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.053134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.053134 (E_RNA)
where:
Base-Base interactions energy: -1400.181
where: short stacking energy: -633.520
Base-Backbone interact. energy: 0.416
local terms energy: -730.288304
where:
bonds (distance) C4'-P energy: -126.351
bonds (distance) P-C4' energy: -161.867
flat angles C4'-P-C4' energy: -173.976
flat angles P-C4'-P energy: -97.994
tors. eta vs tors. theta energy: -170.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1975.587103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.587103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.587103 (E_RNA)
where:
Base-Base interactions energy: -1307.047
where: short stacking energy: -577.570
Base-Backbone interact. energy: 0.073
local terms energy: -668.613105
where:
bonds (distance) C4'-P energy: -151.984
bonds (distance) P-C4' energy: -142.814
flat angles C4'-P-C4' energy: -148.639
flat angles P-C4'-P energy: -88.366
tors. eta vs tors. theta energy: -136.809
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: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1875.827372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.827372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.827372 (E_RNA)
where:
Base-Base interactions energy: -1204.861
where: short stacking energy: -548.997
Base-Backbone interact. energy: 0.126
local terms energy: -671.092393
where:
bonds (distance) C4'-P energy: -131.481
bonds (distance) P-C4' energy: -157.629
flat angles C4'-P-C4' energy: -147.541
flat angles P-C4'-P energy: -100.870
tors. eta vs tors. theta energy: -133.571
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: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1581.510873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.510873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.510873 (E_RNA)
where:
Base-Base interactions energy: -970.059
where: short stacking energy: -453.148
Base-Backbone interact. energy: -2.534
local terms energy: -608.917312
where:
bonds (distance) C4'-P energy: -132.535
bonds (distance) P-C4' energy: -132.234
flat angles C4'-P-C4' energy: -138.517
flat angles P-C4'-P energy: -96.206
tors. eta vs tors. theta energy: -109.424
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: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1425.253836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.253836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.253836 (E_RNA)
where:
Base-Base interactions energy: -869.409
where: short stacking energy: -408.721
Base-Backbone interact. energy: -0.796
local terms energy: -555.048928
where:
bonds (distance) C4'-P energy: -122.192
bonds (distance) P-C4' energy: -146.079
flat angles C4'-P-C4' energy: -155.779
flat angles P-C4'-P energy: -53.738
tors. eta vs tors. theta energy: -77.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -907.196171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.196171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.196171 (E_RNA)
where:
Base-Base interactions energy: -458.919
where: short stacking energy: -258.984
Base-Backbone interact. energy: -1.519
local terms energy: -446.757913
where:
bonds (distance) C4'-P energy: -113.767
bonds (distance) P-C4' energy: -133.680
flat angles C4'-P-C4' energy: -125.727
flat angles P-C4'-P energy: -73.071
tors. eta vs tors. theta energy: -0.513
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: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -603.254016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.254016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.254016 (E_RNA)
where:
Base-Base interactions energy: -226.768
where: short stacking energy: -177.659
Base-Backbone interact. energy: -0.062
local terms energy: -376.423458
where:
bonds (distance) C4'-P energy: -110.506
bonds (distance) P-C4' energy: -129.252
flat angles C4'-P-C4' energy: -113.271
flat angles P-C4'-P energy: -59.089
tors. eta vs tors. theta energy: 35.694
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: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2597.408511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.408511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.408511 (E_RNA)
where:
Base-Base interactions energy: -1718.290
where: short stacking energy: -774.325
Base-Backbone interact. energy: -3.409
local terms energy: -875.709783
where:
bonds (distance) C4'-P energy: -166.859
bonds (distance) P-C4' energy: -160.478
flat angles C4'-P-C4' energy: -193.825
flat angles P-C4'-P energy: -122.726
tors. eta vs tors. theta energy: -231.821
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2517.880304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.880304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.880304 (E_RNA)
where:
Base-Base interactions energy: -1686.952
where: short stacking energy: -712.234
Base-Backbone interact. energy: -5.879
local terms energy: -825.049791
where:
bonds (distance) C4'-P energy: -151.812
bonds (distance) P-C4' energy: -159.565
flat angles C4'-P-C4' energy: -182.873
flat angles P-C4'-P energy: -120.869
tors. eta vs tors. theta energy: -209.931
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: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2269.133236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.133236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.133236 (E_RNA)
where:
Base-Base interactions energy: -1497.799
where: short stacking energy: -687.149
Base-Backbone interact. energy: -1.324
local terms energy: -770.010307
where:
bonds (distance) C4'-P energy: -149.251
bonds (distance) P-C4' energy: -165.929
flat angles C4'-P-C4' energy: -167.190
flat angles P-C4'-P energy: -96.090
tors. eta vs tors. theta energy: -191.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2159.473841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.473841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.473841 (E_RNA)
where:
Base-Base interactions energy: -1426.586
where: short stacking energy: -637.625
Base-Backbone interact. energy: 1.431
local terms energy: -734.318985
where:
bonds (distance) C4'-P energy: -147.612
bonds (distance) P-C4' energy: -147.240
flat angles C4'-P-C4' energy: -157.676
flat angles P-C4'-P energy: -109.716
tors. eta vs tors. theta energy: -172.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1971.691021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.691021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.691021 (E_RNA)
where:
Base-Base interactions energy: -1301.672
where: short stacking energy: -561.797
Base-Backbone interact. energy: 0.471
local terms energy: -670.490432
where:
bonds (distance) C4'-P energy: -143.433
bonds (distance) P-C4' energy: -160.249
flat angles C4'-P-C4' energy: -155.930
flat angles P-C4'-P energy: -89.492
tors. eta vs tors. theta energy: -121.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1844.158525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.158525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.158525 (E_RNA)
where:
Base-Base interactions energy: -1171.814
where: short stacking energy: -519.291
Base-Backbone interact. energy: -5.232
local terms energy: -667.112645
where:
bonds (distance) C4'-P energy: -137.670
bonds (distance) P-C4' energy: -149.017
flat angles C4'-P-C4' energy: -150.175
flat angles P-C4'-P energy: -109.443
tors. eta vs tors. theta energy: -120.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1615.494841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.494841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.494841 (E_RNA)
where:
Base-Base interactions energy: -1047.528
where: short stacking energy: -460.499
Base-Backbone interact. energy: -5.856
local terms energy: -562.110649
where:
bonds (distance) C4'-P energy: -118.015
bonds (distance) P-C4' energy: -128.708
flat angles C4'-P-C4' energy: -147.261
flat angles P-C4'-P energy: -77.044
tors. eta vs tors. theta energy: -91.084
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: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1423.925217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.925217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.925217 (E_RNA)
where:
Base-Base interactions energy: -857.330
where: short stacking energy: -394.393
Base-Backbone interact. energy: 1.707
local terms energy: -568.301530
where:
bonds (distance) C4'-P energy: -135.539
bonds (distance) P-C4' energy: -146.722
flat angles C4'-P-C4' energy: -127.328
flat angles P-C4'-P energy: -92.992
tors. eta vs tors. theta energy: -65.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -866.336762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.336762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.336762 (E_RNA)
where:
Base-Base interactions energy: -433.299
where: short stacking energy: -255.200
Base-Backbone interact. energy: -2.578
local terms energy: -430.459999
where:
bonds (distance) C4'-P energy: -107.886
bonds (distance) P-C4' energy: -119.584
flat angles C4'-P-C4' energy: -135.555
flat angles P-C4'-P energy: -53.535
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -614.207945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.207945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.207945 (E_RNA)
where:
Base-Base interactions energy: -207.633
where: short stacking energy: -188.027
Base-Backbone interact. energy: 1.451
local terms energy: -408.025242
where:
bonds (distance) C4'-P energy: -134.531
bonds (distance) P-C4' energy: -140.442
flat angles C4'-P-C4' energy: -100.070
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: 17.020
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: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2621.378390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.378390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.378390 (E_RNA)
where:
Base-Base interactions energy: -1763.168
where: short stacking energy: -789.835
Base-Backbone interact. energy: -4.774
local terms energy: -853.435568
where:
bonds (distance) C4'-P energy: -149.149
bonds (distance) P-C4' energy: -172.522
flat angles C4'-P-C4' energy: -187.669
flat angles P-C4'-P energy: -113.315
tors. eta vs tors. theta energy: -230.780
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: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2557.225074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.225074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.225074 (E_RNA)
where:
Base-Base interactions energy: -1732.930
where: short stacking energy: -748.472
Base-Backbone interact. energy: -2.062
local terms energy: -822.233051
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -160.858
flat angles C4'-P-C4' energy: -160.567
flat angles P-C4'-P energy: -130.916
tors. eta vs tors. theta energy: -219.175
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: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2317.933649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.933649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.933649 (E_RNA)
where:
Base-Base interactions energy: -1517.238
where: short stacking energy: -703.248
Base-Backbone interact. energy: -4.127
local terms energy: -796.569177
where:
bonds (distance) C4'-P energy: -166.426
bonds (distance) P-C4' energy: -141.374
flat angles C4'-P-C4' energy: -177.852
flat angles P-C4'-P energy: -110.941
tors. eta vs tors. theta energy: -199.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2147.246372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.246372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.246372 (E_RNA)
where:
Base-Base interactions energy: -1403.917
where: short stacking energy: -624.219
Base-Backbone interact. energy: -2.987
local terms energy: -740.342572
where:
bonds (distance) C4'-P energy: -151.872
bonds (distance) P-C4' energy: -137.458
flat angles C4'-P-C4' energy: -155.073
flat angles P-C4'-P energy: -108.632
tors. eta vs tors. theta energy: -187.308
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: 113
Temperature: 1.100000
Total energy: -1984.986865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.986865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.986865 (E_RNA)
where:
Base-Base interactions energy: -1319.177
where: short stacking energy: -552.704
Base-Backbone interact. energy: 0.434
local terms energy: -666.243475
where:
bonds (distance) C4'-P energy: -139.541
bonds (distance) P-C4' energy: -161.421
flat angles C4'-P-C4' energy: -148.696
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -123.020
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: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1818.287655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.287655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.287655 (E_RNA)
where:
Base-Base interactions energy: -1141.230
where: short stacking energy: -513.701
Base-Backbone interact. energy: -1.385
local terms energy: -675.672521
where:
bonds (distance) C4'-P energy: -154.002
bonds (distance) P-C4' energy: -159.795
flat angles C4'-P-C4' energy: -136.995
flat angles P-C4'-P energy: -96.389
tors. eta vs tors. theta energy: -128.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1617.763128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.763128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.763128 (E_RNA)
where:
Base-Base interactions energy: -1085.479
where: short stacking energy: -470.643
Base-Backbone interact. energy: -0.205
local terms energy: -532.079833
where:
bonds (distance) C4'-P energy: -114.698
bonds (distance) P-C4' energy: -117.682
flat angles C4'-P-C4' energy: -144.714
flat angles P-C4'-P energy: -74.814
tors. eta vs tors. theta energy: -80.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1325.786007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.786007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.786007 (E_RNA)
where:
Base-Base interactions energy: -749.333
where: short stacking energy: -349.588
Base-Backbone interact. energy: 0.283
local terms energy: -576.735626
where:
bonds (distance) C4'-P energy: -153.875
bonds (distance) P-C4' energy: -127.020
flat angles C4'-P-C4' energy: -137.797
flat angles P-C4'-P energy: -100.442
tors. eta vs tors. theta energy: -57.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -889.935053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.935053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.935053 (E_RNA)
where:
Base-Base interactions energy: -417.089
where: short stacking energy: -246.384
Base-Backbone interact. energy: 1.991
local terms energy: -474.837127
where:
bonds (distance) C4'-P energy: -134.320
bonds (distance) P-C4' energy: -162.641
flat angles C4'-P-C4' energy: -115.515
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -7.035
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: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -675.061221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.061221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.061221 (E_RNA)
where:
Base-Base interactions energy: -255.503
where: short stacking energy: -186.583
Base-Backbone interact. energy: -1.158
local terms energy: -418.400907
where:
bonds (distance) C4'-P energy: -135.180
bonds (distance) P-C4' energy: -130.170
flat angles C4'-P-C4' energy: -109.092
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: 26.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2630.735738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.735738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.735738 (E_RNA)
where:
Base-Base interactions energy: -1759.737
where: short stacking energy: -779.052
Base-Backbone interact. energy: 0.137
local terms energy: -871.136266
where:
bonds (distance) C4'-P energy: -162.777
bonds (distance) P-C4' energy: -176.980
flat angles C4'-P-C4' energy: -174.718
flat angles P-C4'-P energy: -124.386
tors. eta vs tors. theta energy: -232.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2530.789683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.789683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.789683 (E_RNA)
where:
Base-Base interactions energy: -1724.977
where: short stacking energy: -754.883
Base-Backbone interact. energy: -2.825
local terms energy: -802.987392
where:
bonds (distance) C4'-P energy: -160.240
bonds (distance) P-C4' energy: -150.044
flat angles C4'-P-C4' energy: -165.545
flat angles P-C4'-P energy: -116.532
tors. eta vs tors. theta energy: -210.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2275.175963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.175963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.175963 (E_RNA)
where:
Base-Base interactions energy: -1478.745
where: short stacking energy: -701.136
Base-Backbone interact. energy: 0.873
local terms energy: -797.303858
where:
bonds (distance) C4'-P energy: -152.381
bonds (distance) P-C4' energy: -162.710
flat angles C4'-P-C4' energy: -170.343
flat angles P-C4'-P energy: -111.979
tors. eta vs tors. theta energy: -199.891
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2171.895359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.895359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.895359 (E_RNA)
where:
Base-Base interactions energy: -1417.072
where: short stacking energy: -645.890
Base-Backbone interact. energy: -2.563
local terms energy: -752.261024
where:
bonds (distance) C4'-P energy: -153.551
bonds (distance) P-C4' energy: -146.125
flat angles C4'-P-C4' energy: -171.689
flat angles P-C4'-P energy: -110.363
tors. eta vs tors. theta energy: -170.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1899.770195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.770195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.770195 (E_RNA)
where:
Base-Base interactions energy: -1243.755
where: short stacking energy: -512.778
Base-Backbone interact. energy: -6.231
local terms energy: -649.783749
where:
bonds (distance) C4'-P energy: -152.686
bonds (distance) P-C4' energy: -133.345
flat angles C4'-P-C4' energy: -142.525
flat angles P-C4'-P energy: -98.847
tors. eta vs tors. theta energy: -122.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1840.966290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.966290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.966290 (E_RNA)
where:
Base-Base interactions energy: -1204.599
where: short stacking energy: -544.890
Base-Backbone interact. energy: -4.261
local terms energy: -632.106530
where:
bonds (distance) C4'-P energy: -136.609
bonds (distance) P-C4' energy: -135.226
flat angles C4'-P-C4' energy: -139.874
flat angles P-C4'-P energy: -85.332
tors. eta vs tors. theta energy: -135.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1662.795554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.795554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.795554 (E_RNA)
where:
Base-Base interactions energy: -1058.256
where: short stacking energy: -495.411
Base-Backbone interact. energy: -0.245
local terms energy: -604.294505
where:
bonds (distance) C4'-P energy: -134.166
bonds (distance) P-C4' energy: -138.294
flat angles C4'-P-C4' energy: -129.486
flat angles P-C4'-P energy: -84.671
tors. eta vs tors. theta energy: -117.678
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: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1335.980350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.980350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.980350 (E_RNA)
where:
Base-Base interactions energy: -778.201
where: short stacking energy: -390.477
Base-Backbone interact. energy: -0.491
local terms energy: -557.287649
where:
bonds (distance) C4'-P energy: -128.416
bonds (distance) P-C4' energy: -147.339
flat angles C4'-P-C4' energy: -133.484
flat angles P-C4'-P energy: -76.262
tors. eta vs tors. theta energy: -71.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -864.783961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.783961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.783961 (E_RNA)
where:
Base-Base interactions energy: -410.973
where: short stacking energy: -251.894
Base-Backbone interact. energy: 5.421
local terms energy: -459.231640
where:
bonds (distance) C4'-P energy: -119.774
bonds (distance) P-C4' energy: -122.190
flat angles C4'-P-C4' energy: -128.804
flat angles P-C4'-P energy: -83.880
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -683.816889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.816889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.816889 (E_RNA)
where:
Base-Base interactions energy: -276.318
where: short stacking energy: -202.772
Base-Backbone interact. energy: 4.512
local terms energy: -412.010836
where:
bonds (distance) C4'-P energy: -128.503
bonds (distance) P-C4' energy: -130.265
flat angles C4'-P-C4' energy: -108.241
flat angles P-C4'-P energy: -62.504
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: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2595.930082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.930082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.930082 (E_RNA)
where:
Base-Base interactions energy: -1743.891
where: short stacking energy: -768.463
Base-Backbone interact. energy: 0.320
local terms energy: -852.359311
where:
bonds (distance) C4'-P energy: -161.390
bonds (distance) P-C4' energy: -149.915
flat angles C4'-P-C4' energy: -192.638
flat angles P-C4'-P energy: -121.117
tors. eta vs tors. theta energy: -227.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2522.101865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.101865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.101865 (E_RNA)
where:
Base-Base interactions energy: -1663.820
where: short stacking energy: -742.012
Base-Backbone interact. energy: -3.597
local terms energy: -854.684254
where:
bonds (distance) C4'-P energy: -169.622
bonds (distance) P-C4' energy: -166.595
flat angles C4'-P-C4' energy: -173.320
flat angles P-C4'-P energy: -117.825
tors. eta vs tors. theta energy: -227.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2236.736907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.736907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.736907 (E_RNA)
where:
Base-Base interactions energy: -1493.095
where: short stacking energy: -679.697
Base-Backbone interact. energy: -1.390
local terms energy: -742.251898
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -159.221
flat angles C4'-P-C4' energy: -161.284
flat angles P-C4'-P energy: -105.666
tors. eta vs tors. theta energy: -192.605
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: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2133.461514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.461514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.461514 (E_RNA)
where:
Base-Base interactions energy: -1385.902
where: short stacking energy: -613.381
Base-Backbone interact. energy: -2.788
local terms energy: -744.771611
where:
bonds (distance) C4'-P energy: -149.300
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -157.024
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -170.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1977.830953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.830953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.830953 (E_RNA)
where:
Base-Base interactions energy: -1319.256
where: short stacking energy: -567.538
Base-Backbone interact. energy: -1.429
local terms energy: -657.146243
where:
bonds (distance) C4'-P energy: -148.065
bonds (distance) P-C4' energy: -150.739
flat angles C4'-P-C4' energy: -134.612
flat angles P-C4'-P energy: -96.958
tors. eta vs tors. theta energy: -126.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1853.984522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.984522 (E_RNA)
where:
Base-Base interactions energy: -1218.273
where: short stacking energy: -571.348
Base-Backbone interact. energy: -1.837
local terms energy: -633.874763
where:
bonds (distance) C4'-P energy: -136.327
bonds (distance) P-C4' energy: -145.062
flat angles C4'-P-C4' energy: -139.061
flat angles P-C4'-P energy: -90.441
tors. eta vs tors. theta energy: -122.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1637.237477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.237477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.237477 (E_RNA)
where:
Base-Base interactions energy: -1060.803
where: short stacking energy: -490.062
Base-Backbone interact. energy: 5.769
local terms energy: -582.203498
where:
bonds (distance) C4'-P energy: -115.682
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -121.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1281.055738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.055738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.055738 (E_RNA)
where:
Base-Base interactions energy: -755.764
where: short stacking energy: -366.673
Base-Backbone interact. energy: -4.061
local terms energy: -521.230325
where:
bonds (distance) C4'-P energy: -128.507
bonds (distance) P-C4' energy: -146.281
flat angles C4'-P-C4' energy: -119.750
flat angles P-C4'-P energy: -75.204
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: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -867.406250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.406250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.406250 (E_RNA)
where:
Base-Base interactions energy: -459.267
where: short stacking energy: -280.375
Base-Backbone interact. energy: 0.769
local terms energy: -408.907921
where:
bonds (distance) C4'-P energy: -106.306
bonds (distance) P-C4' energy: -141.396
flat angles C4'-P-C4' energy: -103.279
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -687.555361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.555361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.555361 (E_RNA)
where:
Base-Base interactions energy: -300.584
where: short stacking energy: -199.413
Base-Backbone interact. energy: 3.178
local terms energy: -390.150284
where:
bonds (distance) C4'-P energy: -116.900
bonds (distance) P-C4' energy: -120.935
flat angles C4'-P-C4' energy: -93.016
flat angles P-C4'-P energy: -80.128
tors. eta vs tors. theta energy: 20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2627.513536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.513536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.513536 (E_RNA)
where:
Base-Base interactions energy: -1748.709
where: short stacking energy: -793.215
Base-Backbone interact. energy: -2.686
local terms energy: -876.118670
where:
bonds (distance) C4'-P energy: -170.059
bonds (distance) P-C4' energy: -162.455
flat angles C4'-P-C4' energy: -178.449
flat angles P-C4'-P energy: -121.109
tors. eta vs tors. theta energy: -244.047
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: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2496.950766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.950766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.950766 (E_RNA)
where:
Base-Base interactions energy: -1668.804
where: short stacking energy: -718.423
Base-Backbone interact. energy: -5.834
local terms energy: -822.312864
where:
bonds (distance) C4'-P energy: -158.439
bonds (distance) P-C4' energy: -176.342
flat angles C4'-P-C4' energy: -170.836
flat angles P-C4'-P energy: -111.504
tors. eta vs tors. theta energy: -205.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2254.981092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.981092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.981092 (E_RNA)
where:
Base-Base interactions energy: -1473.121
where: short stacking energy: -666.326
Base-Backbone interact. energy: -2.252
local terms energy: -779.608309
where:
bonds (distance) C4'-P energy: -159.299
bonds (distance) P-C4' energy: -168.523
flat angles C4'-P-C4' energy: -179.390
flat angles P-C4'-P energy: -97.004
tors. eta vs tors. theta energy: -175.392
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2185.075530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.075530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.075530 (E_RNA)
where:
Base-Base interactions energy: -1437.597
where: short stacking energy: -677.085
Base-Backbone interact. energy: -3.421
local terms energy: -744.057521
where:
bonds (distance) C4'-P energy: -148.153
bonds (distance) P-C4' energy: -145.105
flat angles C4'-P-C4' energy: -160.230
flat angles P-C4'-P energy: -105.116
tors. eta vs tors. theta energy: -185.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2002.705562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.705562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.705562 (E_RNA)
where:
Base-Base interactions energy: -1305.771
where: short stacking energy: -570.716
Base-Backbone interact. energy: 0.523
local terms energy: -697.458346
where:
bonds (distance) C4'-P energy: -145.787
bonds (distance) P-C4' energy: -149.936
flat angles C4'-P-C4' energy: -157.000
flat angles P-C4'-P energy: -99.324
tors. eta vs tors. theta energy: -145.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1804.059941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.059941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.059941 (E_RNA)
where:
Base-Base interactions energy: -1136.497
where: short stacking energy: -503.184
Base-Backbone interact. energy: 0.274
local terms energy: -667.836780
where:
bonds (distance) C4'-P energy: -151.788
bonds (distance) P-C4' energy: -147.792
flat angles C4'-P-C4' energy: -139.895
flat angles P-C4'-P energy: -93.058
tors. eta vs tors. theta energy: -135.303
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: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1582.394219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.394219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.394219 (E_RNA)
where:
Base-Base interactions energy: -992.282
where: short stacking energy: -452.213
Base-Backbone interact. energy: 2.867
local terms energy: -592.979299
where:
bonds (distance) C4'-P energy: -124.340
bonds (distance) P-C4' energy: -130.590
flat angles C4'-P-C4' energy: -142.661
flat angles P-C4'-P energy: -94.689
tors. eta vs tors. theta energy: -100.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1221.732691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.732691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.732691 (E_RNA)
where:
Base-Base interactions energy: -684.356
where: short stacking energy: -331.719
Base-Backbone interact. energy: 2.046
local terms energy: -539.422700
where:
bonds (distance) C4'-P energy: -131.884
bonds (distance) P-C4' energy: -157.001
flat angles C4'-P-C4' energy: -122.217
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -39.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -896.461490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.461490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.461490 (E_RNA)
where:
Base-Base interactions energy: -434.236
where: short stacking energy: -269.664
Base-Backbone interact. energy: 5.935
local terms energy: -468.160076
where:
bonds (distance) C4'-P energy: -140.596
bonds (distance) P-C4' energy: -123.058
flat angles C4'-P-C4' energy: -131.188
flat angles P-C4'-P energy: -78.564
tors. eta vs tors. theta energy: 5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -716.452005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.452005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.452005 (E_RNA)
where:
Base-Base interactions energy: -298.123
where: short stacking energy: -189.961
Base-Backbone interact. energy: 4.003
local terms energy: -422.331933
where:
bonds (distance) C4'-P energy: -148.224
bonds (distance) P-C4' energy: -140.298
flat angles C4'-P-C4' energy: -80.109
flat angles P-C4'-P energy: -68.484
tors. eta vs tors. theta energy: 14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2588.261486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.261486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.261486 (E_RNA)
where:
Base-Base interactions energy: -1727.675
where: short stacking energy: -761.146
Base-Backbone interact. energy: -2.622
local terms energy: -857.964069
where:
bonds (distance) C4'-P energy: -161.314
bonds (distance) P-C4' energy: -153.485
flat angles C4'-P-C4' energy: -190.320
flat angles P-C4'-P energy: -120.491
tors. eta vs tors. theta energy: -232.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2490.415348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.415348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.415348 (E_RNA)
where:
Base-Base interactions energy: -1682.261
where: short stacking energy: -725.660
Base-Backbone interact. energy: -2.342
local terms energy: -805.812474
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -165.315
flat angles C4'-P-C4' energy: -176.365
flat angles P-C4'-P energy: -131.379
tors. eta vs tors. theta energy: -194.208
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2304.133250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.133250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.133250 (E_RNA)
where:
Base-Base interactions energy: -1482.201
where: short stacking energy: -692.757
Base-Backbone interact. energy: -1.996
local terms energy: -819.937031
where:
bonds (distance) C4'-P energy: -166.269
bonds (distance) P-C4' energy: -160.256
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -117.883
tors. eta vs tors. theta energy: -208.447
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: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2204.148637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.148637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.148637 (E_RNA)
where:
Base-Base interactions energy: -1433.094
where: short stacking energy: -648.994
Base-Backbone interact. energy: -3.318
local terms energy: -767.736730
where:
bonds (distance) C4'-P energy: -148.030
bonds (distance) P-C4' energy: -157.876
flat angles C4'-P-C4' energy: -167.212
flat angles P-C4'-P energy: -116.213
tors. eta vs tors. theta energy: -178.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1960.081571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.081571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.081571 (E_RNA)
where:
Base-Base interactions energy: -1291.376
where: short stacking energy: -552.083
Base-Backbone interact. energy: 2.783
local terms energy: -671.488926
where:
bonds (distance) C4'-P energy: -135.664
bonds (distance) P-C4' energy: -143.091
flat angles C4'-P-C4' energy: -159.822
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -147.545
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: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1849.023286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.023286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.023286 (E_RNA)
where:
Base-Base interactions energy: -1184.934
where: short stacking energy: -533.788
Base-Backbone interact. energy: -2.915
local terms energy: -661.174285
where:
bonds (distance) C4'-P energy: -151.967
bonds (distance) P-C4' energy: -138.609
flat angles C4'-P-C4' energy: -144.198
flat angles P-C4'-P energy: -90.951
tors. eta vs tors. theta energy: -135.449
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: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1550.844242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.844242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.844242 (E_RNA)
where:
Base-Base interactions energy: -943.985
where: short stacking energy: -452.914
Base-Backbone interact. energy: 1.262
local terms energy: -608.121156
where:
bonds (distance) C4'-P energy: -129.486
bonds (distance) P-C4' energy: -149.838
flat angles C4'-P-C4' energy: -133.906
flat angles P-C4'-P energy: -90.966
tors. eta vs tors. theta energy: -103.925
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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1271.737019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.737019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.737019 (E_RNA)
where:
Base-Base interactions energy: -742.152
where: short stacking energy: -347.939
Base-Backbone interact. energy: 3.386
local terms energy: -532.971085
where:
bonds (distance) C4'-P energy: -131.276
bonds (distance) P-C4' energy: -132.795
flat angles C4'-P-C4' energy: -132.023
flat angles P-C4'-P energy: -86.258
tors. eta vs tors. theta energy: -50.619
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: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -904.396785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.396785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.396785 (E_RNA)
where:
Base-Base interactions energy: -453.168
where: short stacking energy: -287.144
Base-Backbone interact. energy: 1.969
local terms energy: -453.198153
where:
bonds (distance) C4'-P energy: -125.308
bonds (distance) P-C4' energy: -132.490
flat angles C4'-P-C4' energy: -107.518
flat angles P-C4'-P energy: -67.758
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -714.189440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.189440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.189440 (E_RNA)
where:
Base-Base interactions energy: -310.423
where: short stacking energy: -199.759
Base-Backbone interact. energy: 3.619
local terms energy: -407.385012
where:
bonds (distance) C4'-P energy: -117.596
bonds (distance) P-C4' energy: -138.147
flat angles C4'-P-C4' energy: -99.337
flat angles P-C4'-P energy: -61.291
tors. eta vs tors. theta energy: 8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2597.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.988556 (E_RNA)
where:
Base-Base interactions energy: -1739.073
where: short stacking energy: -768.463
Base-Backbone interact. energy: 0.221
local terms energy: -859.135657
where:
bonds (distance) C4'-P energy: -155.358
bonds (distance) P-C4' energy: -166.059
flat angles C4'-P-C4' energy: -189.774
flat angles P-C4'-P energy: -124.748
tors. eta vs tors. theta energy: -223.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2473.519026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.519026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.519026 (E_RNA)
where:
Base-Base interactions energy: -1677.495
where: short stacking energy: -713.810
Base-Backbone interact. energy: -0.679
local terms energy: -795.345025
where:
bonds (distance) C4'-P energy: -147.011
bonds (distance) P-C4' energy: -166.206
flat angles C4'-P-C4' energy: -169.033
flat angles P-C4'-P energy: -115.691
tors. eta vs tors. theta energy: -197.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2311.556424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.556424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.556424 (E_RNA)
where:
Base-Base interactions energy: -1508.338
where: short stacking energy: -694.656
Base-Backbone interact. energy: 1.580
local terms energy: -804.798876
where:
bonds (distance) C4'-P energy: -155.347
bonds (distance) P-C4' energy: -153.655
flat angles C4'-P-C4' energy: -171.377
flat angles P-C4'-P energy: -123.281
tors. eta vs tors. theta energy: -201.139
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2166.221339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.221339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.221339 (E_RNA)
where:
Base-Base interactions energy: -1412.387
where: short stacking energy: -628.768
Base-Backbone interact. energy: -4.063
local terms energy: -749.770763
where:
bonds (distance) C4'-P energy: -154.709
bonds (distance) P-C4' energy: -140.755
flat angles C4'-P-C4' energy: -174.335
flat angles P-C4'-P energy: -107.084
tors. eta vs tors. theta energy: -172.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1983.431543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.431543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.431543 (E_RNA)
where:
Base-Base interactions energy: -1290.497
where: short stacking energy: -590.565
Base-Backbone interact. energy: -3.571
local terms energy: -689.363898
where:
bonds (distance) C4'-P energy: -132.183
bonds (distance) P-C4' energy: -155.438
flat angles C4'-P-C4' energy: -167.357
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -132.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1875.282685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.282685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.282685 (E_RNA)
where:
Base-Base interactions energy: -1188.883
where: short stacking energy: -545.691
Base-Backbone interact. energy: -3.065
local terms energy: -683.335136
where:
bonds (distance) C4'-P energy: -142.833
bonds (distance) P-C4' energy: -162.563
flat angles C4'-P-C4' energy: -161.162
flat angles P-C4'-P energy: -73.894
tors. eta vs tors. theta energy: -142.883
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: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1575.331047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.331047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.331047 (E_RNA)
where:
Base-Base interactions energy: -1004.973
where: short stacking energy: -441.024
Base-Backbone interact. energy: -0.749
local terms energy: -569.608793
where:
bonds (distance) C4'-P energy: -133.199
bonds (distance) P-C4' energy: -146.243
flat angles C4'-P-C4' energy: -122.286
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -78.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1256.911147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.911147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.911147 (E_RNA)
where:
Base-Base interactions energy: -752.763
where: short stacking energy: -361.787
Base-Backbone interact. energy: -0.106
local terms energy: -504.042214
where:
bonds (distance) C4'-P energy: -141.561
bonds (distance) P-C4' energy: -126.974
flat angles C4'-P-C4' energy: -121.782
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -45.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -869.756390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.756390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.756390 (E_RNA)
where:
Base-Base interactions energy: -414.088
where: short stacking energy: -231.067
Base-Backbone interact. energy: 0.887
local terms energy: -456.555611
where:
bonds (distance) C4'-P energy: -131.895
bonds (distance) P-C4' energy: -153.577
flat angles C4'-P-C4' energy: -122.266
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: 13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -706.560683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.560683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.560683 (E_RNA)
where:
Base-Base interactions energy: -331.268
where: short stacking energy: -186.084
Base-Backbone interact. energy: -2.711
local terms energy: -372.582122
where:
bonds (distance) C4'-P energy: -136.922
bonds (distance) P-C4' energy: -125.342
flat angles C4'-P-C4' energy: -93.629
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: 35.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2612.446424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.446424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.446424 (E_RNA)
where:
Base-Base interactions energy: -1756.969
where: short stacking energy: -799.069
Base-Backbone interact. energy: -3.840
local terms energy: -851.636815
where:
bonds (distance) C4'-P energy: -156.635
bonds (distance) P-C4' energy: -155.706
flat angles C4'-P-C4' energy: -176.000
flat angles P-C4'-P energy: -130.514
tors. eta vs tors. theta energy: -232.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2514.395702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.395702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.395702 (E_RNA)
where:
Base-Base interactions energy: -1705.616
where: short stacking energy: -761.648
Base-Backbone interact. energy: -3.319
local terms energy: -805.460796
where:
bonds (distance) C4'-P energy: -155.461
bonds (distance) P-C4' energy: -160.209
flat angles C4'-P-C4' energy: -181.377
flat angles P-C4'-P energy: -100.778
tors. eta vs tors. theta energy: -207.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2308.420121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.420121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.420121 (E_RNA)
where:
Base-Base interactions energy: -1525.158
where: short stacking energy: -699.055
Base-Backbone interact. energy: -1.846
local terms energy: -781.416178
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -161.726
flat angles C4'-P-C4' energy: -167.393
flat angles P-C4'-P energy: -110.383
tors. eta vs tors. theta energy: -203.216
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: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2186.318531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.318531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.318531 (E_RNA)
where:
Base-Base interactions energy: -1442.717
where: short stacking energy: -633.305
Base-Backbone interact. energy: -3.550
local terms energy: -740.051167
where:
bonds (distance) C4'-P energy: -149.354
bonds (distance) P-C4' energy: -159.824
flat angles C4'-P-C4' energy: -159.412
flat angles P-C4'-P energy: -90.461
tors. eta vs tors. theta energy: -180.999
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: 119
Temperature: 1.100000
Total energy: -1954.566899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.566899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.566899 (E_RNA)
where:
Base-Base interactions energy: -1278.616
where: short stacking energy: -543.368
Base-Backbone interact. energy: -2.976
local terms energy: -673.010187
where:
bonds (distance) C4'-P energy: -137.194
bonds (distance) P-C4' energy: -149.026
flat angles C4'-P-C4' energy: -161.198
flat angles P-C4'-P energy: -99.633
tors. eta vs tors. theta energy: -125.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.035 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1884.134812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.134812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.134812 (E_RNA)
where:
Base-Base interactions energy: -1240.811
where: short stacking energy: -553.752
Base-Backbone interact. energy: -1.727
local terms energy: -641.597433
where:
bonds (distance) C4'-P energy: -136.199
bonds (distance) P-C4' energy: -136.398
flat angles C4'-P-C4' energy: -156.566
flat angles P-C4'-P energy: -84.524
tors. eta vs tors. theta energy: -127.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1642.222589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.222589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.222589 (E_RNA)
where:
Base-Base interactions energy: -1012.258
where: short stacking energy: -468.563
Base-Backbone interact. energy: -2.093
local terms energy: -627.872520
where:
bonds (distance) C4'-P energy: -137.505
bonds (distance) P-C4' energy: -146.606
flat angles C4'-P-C4' energy: -147.046
flat angles P-C4'-P energy: -79.628
tors. eta vs tors. theta energy: -117.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1236.572565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.572565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.572565 (E_RNA)
where:
Base-Base interactions energy: -700.718
where: short stacking energy: -326.488
Base-Backbone interact. energy: -3.712
local terms energy: -532.143101
where:
bonds (distance) C4'-P energy: -131.193
bonds (distance) P-C4' energy: -140.725
flat angles C4'-P-C4' energy: -141.477
flat angles P-C4'-P energy: -65.488
tors. eta vs tors. theta energy: -53.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -823.732704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.732704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.732704 (E_RNA)
where:
Base-Base interactions energy: -380.919
where: short stacking energy: -226.380
Base-Backbone interact. energy: -2.030
local terms energy: -440.783872
where:
bonds (distance) C4'-P energy: -134.827
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -127.379
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: 10.871
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -725.353101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.353101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.353101 (E_RNA)
where:
Base-Base interactions energy: -333.590
where: short stacking energy: -224.949
Base-Backbone interact. energy: 0.960
local terms energy: -392.722944
where:
bonds (distance) C4'-P energy: -127.164
bonds (distance) P-C4' energy: -117.023
flat angles C4'-P-C4' energy: -108.062
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: 21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2637.995151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.995151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.995151 (E_RNA)
where:
Base-Base interactions energy: -1795.006
where: short stacking energy: -806.280
Base-Backbone interact. energy: -1.010
local terms energy: -841.978898
where:
bonds (distance) C4'-P energy: -150.357
bonds (distance) P-C4' energy: -161.274
flat angles C4'-P-C4' energy: -188.451
flat angles P-C4'-P energy: -109.126
tors. eta vs tors. theta energy: -232.771
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: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2480.715945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.715945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.715945 (E_RNA)
where:
Base-Base interactions energy: -1700.514
where: short stacking energy: -737.986
Base-Backbone interact. energy: 2.401
local terms energy: -782.602989
where:
bonds (distance) C4'-P energy: -150.259
bonds (distance) P-C4' energy: -153.178
flat angles C4'-P-C4' energy: -167.358
flat angles P-C4'-P energy: -110.012
tors. eta vs tors. theta energy: -201.796
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: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2285.963291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.963291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.963291 (E_RNA)
where:
Base-Base interactions energy: -1488.870
where: short stacking energy: -687.006
Base-Backbone interact. energy: -2.850
local terms energy: -794.243587
where:
bonds (distance) C4'-P energy: -148.260
bonds (distance) P-C4' energy: -153.588
flat angles C4'-P-C4' energy: -171.957
flat angles P-C4'-P energy: -120.113
tors. eta vs tors. theta energy: -200.325
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2130.463134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.463134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.463134 (E_RNA)
where:
Base-Base interactions energy: -1381.230
where: short stacking energy: -626.155
Base-Backbone interact. energy: -2.728
local terms energy: -746.505299
where:
bonds (distance) C4'-P energy: -134.023
bonds (distance) P-C4' energy: -163.863
flat angles C4'-P-C4' energy: -176.975
flat angles P-C4'-P energy: -95.858
tors. eta vs tors. theta energy: -175.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1928.905721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.905721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.905721 (E_RNA)
where:
Base-Base interactions energy: -1263.355
where: short stacking energy: -535.765
Base-Backbone interact. energy: 5.775
local terms energy: -671.325494
where:
bonds (distance) C4'-P energy: -137.979
bonds (distance) P-C4' energy: -155.408
flat angles C4'-P-C4' energy: -148.508
flat angles P-C4'-P energy: -95.373
tors. eta vs tors. theta energy: -134.057
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1914.712086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.712086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.712086 (E_RNA)
where:
Base-Base interactions energy: -1246.488
where: short stacking energy: -536.086
Base-Backbone interact. energy: 0.928
local terms energy: -669.152549
where:
bonds (distance) C4'-P energy: -119.886
bonds (distance) P-C4' energy: -159.141
flat angles C4'-P-C4' energy: -156.342
flat angles P-C4'-P energy: -106.121
tors. eta vs tors. theta energy: -127.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1658.223141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.223141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.223141 (E_RNA)
where:
Base-Base interactions energy: -1047.046
where: short stacking energy: -464.633
Base-Backbone interact. energy: 0.095
local terms energy: -611.272303
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -148.772
flat angles P-C4'-P energy: -95.841
tors. eta vs tors. theta energy: -109.082
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: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1254.115134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.115134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.115134 (E_RNA)
where:
Base-Base interactions energy: -732.681
where: short stacking energy: -364.741
Base-Backbone interact. energy: 6.987
local terms energy: -528.420405
where:
bonds (distance) C4'-P energy: -125.990
bonds (distance) P-C4' energy: -133.133
flat angles C4'-P-C4' energy: -122.014
flat angles P-C4'-P energy: -81.043
tors. eta vs tors. theta energy: -66.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -894.392935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.392935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.392935 (E_RNA)
where:
Base-Base interactions energy: -462.341
where: short stacking energy: -268.721
Base-Backbone interact. energy: 4.414
local terms energy: -436.465852
where:
bonds (distance) C4'-P energy: -125.516
bonds (distance) P-C4' energy: -134.689
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -70.053
tors. eta vs tors. theta energy: 5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -696.206318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.206318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.206318 (E_RNA)
where:
Base-Base interactions energy: -308.293
where: short stacking energy: -183.913
Base-Backbone interact. energy: 0.989
local terms energy: -388.901795
where:
bonds (distance) C4'-P energy: -139.566
bonds (distance) P-C4' energy: -133.614
flat angles C4'-P-C4' energy: -84.460
flat angles P-C4'-P energy: -50.395
tors. eta vs tors. theta energy: 19.133
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: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2608.593128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.593128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.593128 (E_RNA)
where:
Base-Base interactions energy: -1746.463
where: short stacking energy: -781.924
Base-Backbone interact. energy: -0.549
local terms energy: -861.580759
where:
bonds (distance) C4'-P energy: -162.601
bonds (distance) P-C4' energy: -165.269
flat angles C4'-P-C4' energy: -185.548
flat angles P-C4'-P energy: -131.952
tors. eta vs tors. theta energy: -216.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2475.198743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.198743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.198743 (E_RNA)
where:
Base-Base interactions energy: -1632.105
where: short stacking energy: -699.258
Base-Backbone interact. energy: -3.251
local terms energy: -839.842261
where:
bonds (distance) C4'-P energy: -165.587
bonds (distance) P-C4' energy: -153.289
flat angles C4'-P-C4' energy: -189.592
flat angles P-C4'-P energy: -117.246
tors. eta vs tors. theta energy: -214.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2286.083431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.083431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.083431 (E_RNA)
where:
Base-Base interactions energy: -1509.262
where: short stacking energy: -657.735
Base-Backbone interact. energy: -2.604
local terms energy: -774.217511
where:
bonds (distance) C4'-P energy: -154.065
bonds (distance) P-C4' energy: -159.755
flat angles C4'-P-C4' energy: -162.136
flat angles P-C4'-P energy: -114.659
tors. eta vs tors. theta energy: -183.603
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2135.584891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.584891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.584891 (E_RNA)
where:
Base-Base interactions energy: -1402.085
where: short stacking energy: -603.839
Base-Backbone interact. energy: -1.197
local terms energy: -732.302653
where:
bonds (distance) C4'-P energy: -139.264
bonds (distance) P-C4' energy: -154.931
flat angles C4'-P-C4' energy: -169.067
flat angles P-C4'-P energy: -97.939
tors. eta vs tors. theta energy: -171.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1936.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.929431 (E_RNA)
where:
Base-Base interactions energy: -1258.590
where: short stacking energy: -549.405
Base-Backbone interact. energy: -1.794
local terms energy: -676.545981
where:
bonds (distance) C4'-P energy: -155.038
bonds (distance) P-C4' energy: -160.635
flat angles C4'-P-C4' energy: -147.780
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -126.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1824.287471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.287471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.287471 (E_RNA)
where:
Base-Base interactions energy: -1195.578
where: short stacking energy: -524.240
Base-Backbone interact. energy: 5.375
local terms energy: -634.085043
where:
bonds (distance) C4'-P energy: -132.098
bonds (distance) P-C4' energy: -137.984
flat angles C4'-P-C4' energy: -144.351
flat angles P-C4'-P energy: -101.532
tors. eta vs tors. theta energy: -118.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1586.481119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.481119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.481119 (E_RNA)
where:
Base-Base interactions energy: -985.259
where: short stacking energy: -447.543
Base-Backbone interact. energy: -2.342
local terms energy: -598.879768
where:
bonds (distance) C4'-P energy: -127.509
bonds (distance) P-C4' energy: -146.710
flat angles C4'-P-C4' energy: -133.867
flat angles P-C4'-P energy: -91.160
tors. eta vs tors. theta energy: -99.634
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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1326.482355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.482355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.482355 (E_RNA)
where:
Base-Base interactions energy: -778.102
where: short stacking energy: -392.227
Base-Backbone interact. energy: -3.003
local terms energy: -545.377603
where:
bonds (distance) C4'-P energy: -141.485
bonds (distance) P-C4' energy: -143.348
flat angles C4'-P-C4' energy: -126.482
flat angles P-C4'-P energy: -64.627
tors. eta vs tors. theta energy: -69.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -870.098160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.098160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.098160 (E_RNA)
where:
Base-Base interactions energy: -404.883
where: short stacking energy: -246.356
Base-Backbone interact. energy: -0.506
local terms energy: -464.709523
where:
bonds (distance) C4'-P energy: -129.346
bonds (distance) P-C4' energy: -141.616
flat angles C4'-P-C4' energy: -117.143
flat angles P-C4'-P energy: -75.294
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -725.058507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.058507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.058507 (E_RNA)
where:
Base-Base interactions energy: -323.145
where: short stacking energy: -207.692
Base-Backbone interact. energy: -1.883
local terms energy: -400.030859
where:
bonds (distance) C4'-P energy: -124.449
bonds (distance) P-C4' energy: -118.422
flat angles C4'-P-C4' energy: -110.910
flat angles P-C4'-P energy: -77.074
tors. eta vs tors. theta energy: 30.825
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: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2625.594926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.594926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.594926 (E_RNA)
where:
Base-Base interactions energy: -1768.147
where: short stacking energy: -784.974
Base-Backbone interact. energy: -4.244
local terms energy: -853.204258
where:
bonds (distance) C4'-P energy: -169.697
bonds (distance) P-C4' energy: -146.326
flat angles C4'-P-C4' energy: -181.301
flat angles P-C4'-P energy: -120.552
tors. eta vs tors. theta energy: -235.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2509.224818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.224818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.224818 (E_RNA)
where:
Base-Base interactions energy: -1694.958
where: short stacking energy: -725.470
Base-Backbone interact. energy: -3.035
local terms energy: -811.231901
where:
bonds (distance) C4'-P energy: -153.607
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -173.704
flat angles P-C4'-P energy: -122.080
tors. eta vs tors. theta energy: -210.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2308.490570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.490570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.490570 (E_RNA)
where:
Base-Base interactions energy: -1521.725
where: short stacking energy: -699.576
Base-Backbone interact. energy: -2.670
local terms energy: -784.095915
where:
bonds (distance) C4'-P energy: -152.180
bonds (distance) P-C4' energy: -156.407
flat angles C4'-P-C4' energy: -177.577
flat angles P-C4'-P energy: -94.379
tors. eta vs tors. theta energy: -203.553
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: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2121.241223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.241223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.241223 (E_RNA)
where:
Base-Base interactions energy: -1376.376
where: short stacking energy: -622.614
Base-Backbone interact. energy: -1.474
local terms energy: -743.390283
where:
bonds (distance) C4'-P energy: -144.571
bonds (distance) P-C4' energy: -145.859
flat angles C4'-P-C4' energy: -175.299
flat angles P-C4'-P energy: -109.195
tors. eta vs tors. theta energy: -168.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1943.421694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.421694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.421694 (E_RNA)
where:
Base-Base interactions energy: -1287.767
where: short stacking energy: -526.695
Base-Backbone interact. energy: -0.338
local terms energy: -655.316399
where:
bonds (distance) C4'-P energy: -150.750
bonds (distance) P-C4' energy: -131.907
flat angles C4'-P-C4' energy: -149.840
flat angles P-C4'-P energy: -104.650
tors. eta vs tors. theta energy: -118.170
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: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1844.627467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.627467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.627467 (E_RNA)
where:
Base-Base interactions energy: -1191.571
where: short stacking energy: -510.915
Base-Backbone interact. energy: -1.960
local terms energy: -651.096111
where:
bonds (distance) C4'-P energy: -148.482
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -155.154
flat angles P-C4'-P energy: -87.971
tors. eta vs tors. theta energy: -122.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1612.632432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.632432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.632432 (E_RNA)
where:
Base-Base interactions energy: -1021.722
where: short stacking energy: -445.710
Base-Backbone interact. energy: -1.388
local terms energy: -589.522688
where:
bonds (distance) C4'-P energy: -122.188
bonds (distance) P-C4' energy: -148.420
flat angles C4'-P-C4' energy: -132.350
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -98.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1314.022449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.022449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.022449 (E_RNA)
where:
Base-Base interactions energy: -788.048
where: short stacking energy: -399.455
Base-Backbone interact. energy: 3.314
local terms energy: -529.288495
where:
bonds (distance) C4'-P energy: -115.564
bonds (distance) P-C4' energy: -147.941
flat angles C4'-P-C4' energy: -142.996
flat angles P-C4'-P energy: -50.509
tors. eta vs tors. theta energy: -72.278
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: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -858.526549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.526549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.526549 (E_RNA)
where:
Base-Base interactions energy: -395.849
where: short stacking energy: -229.518
Base-Backbone interact. energy: 1.224
local terms energy: -463.901238
where:
bonds (distance) C4'-P energy: -124.169
bonds (distance) P-C4' energy: -147.271
flat angles C4'-P-C4' energy: -133.989
flat angles P-C4'-P energy: -59.594
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -786.168782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.168782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.168782 (E_RNA)
where:
Base-Base interactions energy: -380.066
where: short stacking energy: -230.465
Base-Backbone interact. energy: 1.659
local terms energy: -407.761590
where:
bonds (distance) C4'-P energy: -126.436
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -120.942
flat angles P-C4'-P energy: -64.931
tors. eta vs tors. theta energy: 22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2601.378337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.378337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.378337 (E_RNA)
where:
Base-Base interactions energy: -1741.579
where: short stacking energy: -758.096
Base-Backbone interact. energy: 0.415
local terms energy: -860.214000
where:
bonds (distance) C4'-P energy: -164.838
bonds (distance) P-C4' energy: -171.572
flat angles C4'-P-C4' energy: -178.504
flat angles P-C4'-P energy: -127.977
tors. eta vs tors. theta energy: -217.324
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: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2498.004518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.004518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.004518 (E_RNA)
where:
Base-Base interactions energy: -1695.451
where: short stacking energy: -717.436
Base-Backbone interact. energy: -2.182
local terms energy: -800.372061
where:
bonds (distance) C4'-P energy: -152.954
bonds (distance) P-C4' energy: -161.794
flat angles C4'-P-C4' energy: -168.711
flat angles P-C4'-P energy: -117.744
tors. eta vs tors. theta energy: -199.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2327.741562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.741562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.741562 (E_RNA)
where:
Base-Base interactions energy: -1544.284
where: short stacking energy: -690.282
Base-Backbone interact. energy: -0.764
local terms energy: -782.693376
where:
bonds (distance) C4'-P energy: -155.755
bonds (distance) P-C4' energy: -164.031
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -95.220
tors. eta vs tors. theta energy: -201.182
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2173.329650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.329650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.329650 (E_RNA)
where:
Base-Base interactions energy: -1415.056
where: short stacking energy: -628.288
Base-Backbone interact. energy: -4.520
local terms energy: -753.753295
where:
bonds (distance) C4'-P energy: -156.621
bonds (distance) P-C4' energy: -147.865
flat angles C4'-P-C4' energy: -162.103
flat angles P-C4'-P energy: -108.657
tors. eta vs tors. theta energy: -178.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1986.341590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.341590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.341590 (E_RNA)
where:
Base-Base interactions energy: -1321.789
where: short stacking energy: -573.058
Base-Backbone interact. energy: 10.900
local terms energy: -675.452363
where:
bonds (distance) C4'-P energy: -140.329
bonds (distance) P-C4' energy: -154.814
flat angles C4'-P-C4' energy: -149.802
flat angles P-C4'-P energy: -100.687
tors. eta vs tors. theta energy: -129.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1900.006643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.006643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.006643 (E_RNA)
where:
Base-Base interactions energy: -1231.886
where: short stacking energy: -554.158
Base-Backbone interact. energy: -0.863
local terms energy: -667.257016
where:
bonds (distance) C4'-P energy: -143.150
bonds (distance) P-C4' energy: -136.426
flat angles C4'-P-C4' energy: -152.786
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -142.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1633.151936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.151936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.151936 (E_RNA)
where:
Base-Base interactions energy: -1028.255
where: short stacking energy: -456.505
Base-Backbone interact. energy: 1.298
local terms energy: -606.195147
where:
bonds (distance) C4'-P energy: -136.016
bonds (distance) P-C4' energy: -135.853
flat angles C4'-P-C4' energy: -147.612
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -109.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1277.497612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.497612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.497612 (E_RNA)
where:
Base-Base interactions energy: -720.801
where: short stacking energy: -349.475
Base-Backbone interact. energy: 1.114
local terms energy: -557.810082
where:
bonds (distance) C4'-P energy: -145.359
bonds (distance) P-C4' energy: -149.450
flat angles C4'-P-C4' energy: -123.657
flat angles P-C4'-P energy: -79.239
tors. eta vs tors. theta energy: -60.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -900.163271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.163271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.163271 (E_RNA)
where:
Base-Base interactions energy: -442.457
where: short stacking energy: -264.089
Base-Backbone interact. energy: -3.328
local terms energy: -454.378744
where:
bonds (distance) C4'-P energy: -122.421
bonds (distance) P-C4' energy: -139.741
flat angles C4'-P-C4' energy: -114.792
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -778.734085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.734085 (E_RNA)
where:
Base-Base interactions energy: -377.319
where: short stacking energy: -204.568
Base-Backbone interact. energy: -0.687
local terms energy: -400.727365
where:
bonds (distance) C4'-P energy: -137.570
bonds (distance) P-C4' energy: -124.639
flat angles C4'-P-C4' energy: -107.665
flat angles P-C4'-P energy: -59.009
tors. eta vs tors. theta energy: 28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2621.906084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.906084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.906084 (E_RNA)
where:
Base-Base interactions energy: -1735.496
where: short stacking energy: -796.576
Base-Backbone interact. energy: -4.331
local terms energy: -882.078427
where:
bonds (distance) C4'-P energy: -170.205
bonds (distance) P-C4' energy: -162.930
flat angles C4'-P-C4' energy: -174.138
flat angles P-C4'-P energy: -140.120
tors. eta vs tors. theta energy: -234.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2496.570674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.570674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.570674 (E_RNA)
where:
Base-Base interactions energy: -1697.726
where: short stacking energy: -705.568
Base-Backbone interact. energy: -3.506
local terms energy: -795.338217
where:
bonds (distance) C4'-P energy: -152.199
bonds (distance) P-C4' energy: -168.996
flat angles C4'-P-C4' energy: -169.684
flat angles P-C4'-P energy: -117.896
tors. eta vs tors. theta energy: -186.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2296.152569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.152569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.152569 (E_RNA)
where:
Base-Base interactions energy: -1558.029
where: short stacking energy: -710.978
Base-Backbone interact. energy: -1.972
local terms energy: -736.151679
where:
bonds (distance) C4'-P energy: -126.491
bonds (distance) P-C4' energy: -166.371
flat angles C4'-P-C4' energy: -152.292
flat angles P-C4'-P energy: -107.367
tors. eta vs tors. theta energy: -183.631
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2173.711324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.711324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.711324 (E_RNA)
where:
Base-Base interactions energy: -1414.572
where: short stacking energy: -643.305
Base-Backbone interact. energy: 0.926
local terms energy: -760.065221
where:
bonds (distance) C4'-P energy: -162.780
bonds (distance) P-C4' energy: -159.085
flat angles C4'-P-C4' energy: -159.280
flat angles P-C4'-P energy: -99.193
tors. eta vs tors. theta energy: -179.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1984.730652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.730652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.730652 (E_RNA)
where:
Base-Base interactions energy: -1313.909
where: short stacking energy: -569.019
Base-Backbone interact. energy: 0.918
local terms energy: -671.738821
where:
bonds (distance) C4'-P energy: -139.235
bonds (distance) P-C4' energy: -150.579
flat angles C4'-P-C4' energy: -154.419
flat angles P-C4'-P energy: -94.382
tors. eta vs tors. theta energy: -133.123
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: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1875.490463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.490463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.490463 (E_RNA)
where:
Base-Base interactions energy: -1243.920
where: short stacking energy: -519.252
Base-Backbone interact. energy: 0.563
local terms energy: -632.133501
where:
bonds (distance) C4'-P energy: -138.447
bonds (distance) P-C4' energy: -117.569
flat angles C4'-P-C4' energy: -135.529
flat angles P-C4'-P energy: -108.379
tors. eta vs tors. theta energy: -132.209
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: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1602.420994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.420994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.420994 (E_RNA)
where:
Base-Base interactions energy: -1008.728
where: short stacking energy: -466.799
Base-Backbone interact. energy: 0.734
local terms energy: -594.427604
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -123.254
flat angles C4'-P-C4' energy: -138.799
flat angles P-C4'-P energy: -90.396
tors. eta vs tors. theta energy: -106.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1322.592110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.592110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.592110 (E_RNA)
where:
Base-Base interactions energy: -791.815
where: short stacking energy: -357.906
Base-Backbone interact. energy: 0.100
local terms energy: -530.877418
where:
bonds (distance) C4'-P energy: -143.767
bonds (distance) P-C4' energy: -141.511
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -68.467
tors. eta vs tors. theta energy: -59.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -959.594396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.594396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.594396 (E_RNA)
where:
Base-Base interactions energy: -493.101
where: short stacking energy: -281.381
Base-Backbone interact. energy: -2.389
local terms energy: -464.104731
where:
bonds (distance) C4'-P energy: -140.045
bonds (distance) P-C4' energy: -145.006
flat angles C4'-P-C4' energy: -90.872
flat angles P-C4'-P energy: -69.513
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -800.406986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.406986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.406986 (E_RNA)
where:
Base-Base interactions energy: -407.329
where: short stacking energy: -243.408
Base-Backbone interact. energy: 13.214
local terms energy: -406.292106
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -125.872
flat angles C4'-P-C4' energy: -112.447
flat angles P-C4'-P energy: -73.231
tors. eta vs tors. theta energy: 4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2599.139782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.139782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.139782 (E_RNA)
where:
Base-Base interactions energy: -1755.682
where: short stacking energy: -730.396
Base-Backbone interact. energy: -1.588
local terms energy: -841.869251
where:
bonds (distance) C4'-P energy: -155.951
bonds (distance) P-C4' energy: -163.315
flat angles C4'-P-C4' energy: -184.018
flat angles P-C4'-P energy: -124.798
tors. eta vs tors. theta energy: -213.786
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: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2506.431123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.431123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.431123 (E_RNA)
where:
Base-Base interactions energy: -1710.069
where: short stacking energy: -715.124
Base-Backbone interact. energy: -0.225
local terms energy: -796.136815
where:
bonds (distance) C4'-P energy: -166.532
bonds (distance) P-C4' energy: -162.082
flat angles C4'-P-C4' energy: -155.600
flat angles P-C4'-P energy: -112.848
tors. eta vs tors. theta energy: -199.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2336.830968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.830968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.830968 (E_RNA)
where:
Base-Base interactions energy: -1540.173
where: short stacking energy: -716.020
Base-Backbone interact. energy: -1.449
local terms energy: -795.209415
where:
bonds (distance) C4'-P energy: -154.072
bonds (distance) P-C4' energy: -173.043
flat angles C4'-P-C4' energy: -162.844
flat angles P-C4'-P energy: -104.389
tors. eta vs tors. theta energy: -200.862
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2156.607143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.607143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.607143 (E_RNA)
where:
Base-Base interactions energy: -1395.466
where: short stacking energy: -645.689
Base-Backbone interact. energy: 0.719
local terms energy: -761.860637
where:
bonds (distance) C4'-P energy: -147.753
bonds (distance) P-C4' energy: -151.147
flat angles C4'-P-C4' energy: -164.915
flat angles P-C4'-P energy: -101.486
tors. eta vs tors. theta energy: -196.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2033.557056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.557056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.557056 (E_RNA)
where:
Base-Base interactions energy: -1328.568
where: short stacking energy: -560.948
Base-Backbone interact. energy: 1.050
local terms energy: -706.038575
where:
bonds (distance) C4'-P energy: -158.512
bonds (distance) P-C4' energy: -144.785
flat angles C4'-P-C4' energy: -152.832
flat angles P-C4'-P energy: -107.802
tors. eta vs tors. theta energy: -142.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1909.668365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.668365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.668365 (E_RNA)
where:
Base-Base interactions energy: -1264.432
where: short stacking energy: -536.575
Base-Backbone interact. energy: -2.734
local terms energy: -642.501594
where:
bonds (distance) C4'-P energy: -122.177
bonds (distance) P-C4' energy: -153.354
flat angles C4'-P-C4' energy: -153.501
flat angles P-C4'-P energy: -81.149
tors. eta vs tors. theta energy: -132.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1599.589570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.589570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.589570 (E_RNA)
where:
Base-Base interactions energy: -996.201
where: short stacking energy: -433.324
Base-Backbone interact. energy: -2.230
local terms energy: -601.158434
where:
bonds (distance) C4'-P energy: -116.740
bonds (distance) P-C4' energy: -127.105
flat angles C4'-P-C4' energy: -165.346
flat angles P-C4'-P energy: -98.198
tors. eta vs tors. theta energy: -93.769
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: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1310.705430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.705430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.705430 (E_RNA)
where:
Base-Base interactions energy: -757.152
where: short stacking energy: -351.923
Base-Backbone interact. energy: -3.540
local terms energy: -550.012752
where:
bonds (distance) C4'-P energy: -148.225
bonds (distance) P-C4' energy: -125.331
flat angles C4'-P-C4' energy: -116.956
flat angles P-C4'-P energy: -101.461
tors. eta vs tors. theta energy: -58.039
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: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -995.750606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.750606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.750606 (E_RNA)
where:
Base-Base interactions energy: -514.197
where: short stacking energy: -270.803
Base-Backbone interact. energy: 1.668
local terms energy: -483.222027
where:
bonds (distance) C4'-P energy: -122.567
bonds (distance) P-C4' energy: -163.202
flat angles C4'-P-C4' energy: -114.223
flat angles P-C4'-P energy: -67.734
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -773.845911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.845911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.845911 (E_RNA)
where:
Base-Base interactions energy: -353.586
where: short stacking energy: -229.394
Base-Backbone interact. energy: 0.688
local terms energy: -420.947920
where:
bonds (distance) C4'-P energy: -109.884
bonds (distance) P-C4' energy: -137.326
flat angles C4'-P-C4' energy: -100.523
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2629.060471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.060471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.060471 (E_RNA)
where:
Base-Base interactions energy: -1739.861
where: short stacking energy: -775.086
Base-Backbone interact. energy: -3.909
local terms energy: -885.290582
where:
bonds (distance) C4'-P energy: -149.813
bonds (distance) P-C4' energy: -164.143
flat angles C4'-P-C4' energy: -196.159
flat angles P-C4'-P energy: -135.194
tors. eta vs tors. theta energy: -239.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2508.440429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.440429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.440429 (E_RNA)
where:
Base-Base interactions energy: -1705.881
where: short stacking energy: -713.214
Base-Backbone interact. energy: 1.415
local terms energy: -803.975115
where:
bonds (distance) C4'-P energy: -164.793
bonds (distance) P-C4' energy: -150.961
flat angles C4'-P-C4' energy: -169.808
flat angles P-C4'-P energy: -108.399
tors. eta vs tors. theta energy: -210.014
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: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2325.753940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.753940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.753940 (E_RNA)
where:
Base-Base interactions energy: -1533.245
where: short stacking energy: -685.733
Base-Backbone interact. energy: -1.292
local terms energy: -791.216916
where:
bonds (distance) C4'-P energy: -146.418
bonds (distance) P-C4' energy: -160.761
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -113.738
tors. eta vs tors. theta energy: -205.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2160.523231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.523231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.523231 (E_RNA)
where:
Base-Base interactions energy: -1413.300
where: short stacking energy: -655.526
Base-Backbone interact. energy: -4.433
local terms energy: -742.790649
where:
bonds (distance) C4'-P energy: -143.445
bonds (distance) P-C4' energy: -141.870
flat angles C4'-P-C4' energy: -170.448
flat angles P-C4'-P energy: -101.567
tors. eta vs tors. theta energy: -185.461
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2005.414921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.414921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.414921 (E_RNA)
where:
Base-Base interactions energy: -1336.851
where: short stacking energy: -583.290
Base-Backbone interact. energy: -2.027
local terms energy: -666.537436
where:
bonds (distance) C4'-P energy: -126.690
bonds (distance) P-C4' energy: -145.825
flat angles C4'-P-C4' energy: -146.803
flat angles P-C4'-P energy: -106.871
tors. eta vs tors. theta energy: -140.349
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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1964.786431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.786431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.786431 (E_RNA)
where:
Base-Base interactions energy: -1270.666
where: short stacking energy: -568.956
Base-Backbone interact. energy: -0.144
local terms energy: -693.976169
where:
bonds (distance) C4'-P energy: -130.606
bonds (distance) P-C4' energy: -153.659
flat angles C4'-P-C4' energy: -171.644
flat angles P-C4'-P energy: -99.492
tors. eta vs tors. theta energy: -138.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1636.018504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.018504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.018504 (E_RNA)
where:
Base-Base interactions energy: -1055.083
where: short stacking energy: -476.745
Base-Backbone interact. energy: -0.843
local terms energy: -580.092490
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -134.940
flat angles C4'-P-C4' energy: -148.620
flat angles P-C4'-P energy: -80.272
tors. eta vs tors. theta energy: -102.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1305.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.811291 (E_RNA)
where:
Base-Base interactions energy: -770.825
where: short stacking energy: -387.195
Base-Backbone interact. energy: -0.595
local terms energy: -534.391005
where:
bonds (distance) C4'-P energy: -118.702
bonds (distance) P-C4' energy: -126.760
flat angles C4'-P-C4' energy: -134.432
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: -64.345
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: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -987.024015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.024015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.024015 (E_RNA)
where:
Base-Base interactions energy: -542.449
where: short stacking energy: -285.175
Base-Backbone interact. energy: -3.256
local terms energy: -441.319692
where:
bonds (distance) C4'-P energy: -116.110
bonds (distance) P-C4' energy: -144.569
flat angles C4'-P-C4' energy: -107.628
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -694.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.009675 (E_RNA)
where:
Base-Base interactions energy: -321.399
where: short stacking energy: -214.573
Base-Backbone interact. energy: 3.693
local terms energy: -376.303857
where:
bonds (distance) C4'-P energy: -130.735
bonds (distance) P-C4' energy: -111.997
flat angles C4'-P-C4' energy: -109.757
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: 28.262
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: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2632.272669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.272669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.272669 (E_RNA)
where:
Base-Base interactions energy: -1766.164
where: short stacking energy: -772.749
Base-Backbone interact. energy: -1.635
local terms energy: -864.473462
where:
bonds (distance) C4'-P energy: -152.838
bonds (distance) P-C4' energy: -169.781
flat angles C4'-P-C4' energy: -181.073
flat angles P-C4'-P energy: -124.821
tors. eta vs tors. theta energy: -235.961
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: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2557.413374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.413374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.413374 (E_RNA)
where:
Base-Base interactions energy: -1743.662
where: short stacking energy: -727.928
Base-Backbone interact. energy: -5.154
local terms energy: -808.597473
where:
bonds (distance) C4'-P energy: -161.112
bonds (distance) P-C4' energy: -162.357
flat angles C4'-P-C4' energy: -170.963
flat angles P-C4'-P energy: -109.554
tors. eta vs tors. theta energy: -204.611
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2346.607754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.607754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.607754 (E_RNA)
where:
Base-Base interactions energy: -1563.165
where: short stacking energy: -712.953
Base-Backbone interact. energy: 2.270
local terms energy: -785.712746
where:
bonds (distance) C4'-P energy: -158.472
bonds (distance) P-C4' energy: -163.552
flat angles C4'-P-C4' energy: -161.590
flat angles P-C4'-P energy: -101.586
tors. eta vs tors. theta energy: -200.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2132.649100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.649100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.649100 (E_RNA)
where:
Base-Base interactions energy: -1384.551
where: short stacking energy: -625.449
Base-Backbone interact. energy: -2.137
local terms energy: -745.961125
where:
bonds (distance) C4'-P energy: -162.795
bonds (distance) P-C4' energy: -151.258
flat angles C4'-P-C4' energy: -173.373
flat angles P-C4'-P energy: -96.671
tors. eta vs tors. theta energy: -161.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2071.118816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.118816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.118816 (E_RNA)
where:
Base-Base interactions energy: -1363.566
where: short stacking energy: -604.594
Base-Backbone interact. energy: 4.149
local terms energy: -711.701783
where:
bonds (distance) C4'-P energy: -148.339
bonds (distance) P-C4' energy: -150.518
flat angles C4'-P-C4' energy: -165.133
flat angles P-C4'-P energy: -106.314
tors. eta vs tors. theta energy: -141.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1945.556719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.556719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.556719 (E_RNA)
where:
Base-Base interactions energy: -1284.269
where: short stacking energy: -579.799
Base-Backbone interact. energy: -0.611
local terms energy: -660.676537
where:
bonds (distance) C4'-P energy: -135.858
bonds (distance) P-C4' energy: -138.252
flat angles C4'-P-C4' energy: -162.585
flat angles P-C4'-P energy: -89.845
tors. eta vs tors. theta energy: -134.137
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1617.847348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.847348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.847348 (E_RNA)
where:
Base-Base interactions energy: -1032.350
where: short stacking energy: -473.547
Base-Backbone interact. energy: 0.731
local terms energy: -586.228112
where:
bonds (distance) C4'-P energy: -125.285
bonds (distance) P-C4' energy: -133.906
flat angles C4'-P-C4' energy: -134.278
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -93.364
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: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1372.974262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.974262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.974262 (E_RNA)
where:
Base-Base interactions energy: -825.196
where: short stacking energy: -380.624
Base-Backbone interact. energy: 3.568
local terms energy: -551.346116
where:
bonds (distance) C4'-P energy: -112.581
bonds (distance) P-C4' energy: -152.013
flat angles C4'-P-C4' energy: -141.052
flat angles P-C4'-P energy: -84.861
tors. eta vs tors. theta energy: -60.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1030.102452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.102452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.102452 (E_RNA)
where:
Base-Base interactions energy: -541.118
where: short stacking energy: -277.142
Base-Backbone interact. energy: 0.465
local terms energy: -489.448908
where:
bonds (distance) C4'-P energy: -148.404
bonds (distance) P-C4' energy: -129.398
flat angles C4'-P-C4' energy: -122.435
flat angles P-C4'-P energy: -73.208
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -702.427001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.427001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.427001 (E_RNA)
where:
Base-Base interactions energy: -313.503
where: short stacking energy: -196.303
Base-Backbone interact. energy: 4.758
local terms energy: -393.682275
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -134.544
flat angles C4'-P-C4' energy: -108.804
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: 13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2632.411128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.411128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.411128 (E_RNA)
where:
Base-Base interactions energy: -1767.430
where: short stacking energy: -790.362
Base-Backbone interact. energy: -4.022
local terms energy: -860.959587
where:
bonds (distance) C4'-P energy: -162.989
bonds (distance) P-C4' energy: -157.028
flat angles C4'-P-C4' energy: -185.806
flat angles P-C4'-P energy: -129.864
tors. eta vs tors. theta energy: -225.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2508.722234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.722234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.722234 (E_RNA)
where:
Base-Base interactions energy: -1695.691
where: short stacking energy: -725.078
Base-Backbone interact. energy: -2.514
local terms energy: -810.517350
where:
bonds (distance) C4'-P energy: -146.532
bonds (distance) P-C4' energy: -173.264
flat angles C4'-P-C4' energy: -174.865
flat angles P-C4'-P energy: -113.329
tors. eta vs tors. theta energy: -202.528
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: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2307.674745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.674745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.674745 (E_RNA)
where:
Base-Base interactions energy: -1539.331
where: short stacking energy: -691.957
Base-Backbone interact. energy: -0.187
local terms energy: -768.156765
where:
bonds (distance) C4'-P energy: -139.058
bonds (distance) P-C4' energy: -145.024
flat angles C4'-P-C4' energy: -173.911
flat angles P-C4'-P energy: -112.795
tors. eta vs tors. theta energy: -197.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2172.832483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.832483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.832483 (E_RNA)
where:
Base-Base interactions energy: -1408.558
where: short stacking energy: -637.294
Base-Backbone interact. energy: -0.969
local terms energy: -763.304669
where:
bonds (distance) C4'-P energy: -145.998
bonds (distance) P-C4' energy: -154.212
flat angles C4'-P-C4' energy: -177.251
flat angles P-C4'-P energy: -101.047
tors. eta vs tors. theta energy: -184.797
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: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2029.508759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.508759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.508759 (E_RNA)
where:
Base-Base interactions energy: -1349.558
where: short stacking energy: -576.656
Base-Backbone interact. energy: 2.026
local terms energy: -681.976331
where:
bonds (distance) C4'-P energy: -135.590
bonds (distance) P-C4' energy: -145.292
flat angles C4'-P-C4' energy: -169.989
flat angles P-C4'-P energy: -96.770
tors. eta vs tors. theta energy: -134.335
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: 128
Temperature: 1.150000
Total energy: -1968.354737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.354737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.354737 (E_RNA)
where:
Base-Base interactions energy: -1302.506
where: short stacking energy: -540.369
Base-Backbone interact. energy: 5.159
local terms energy: -671.007618
where:
bonds (distance) C4'-P energy: -124.825
bonds (distance) P-C4' energy: -159.263
flat angles C4'-P-C4' energy: -159.701
flat angles P-C4'-P energy: -95.180
tors. eta vs tors. theta energy: -132.039
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1633.640694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.640694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.640694 (E_RNA)
where:
Base-Base interactions energy: -1059.432
where: short stacking energy: -480.291
Base-Backbone interact. energy: 4.030
local terms energy: -578.238680
where:
bonds (distance) C4'-P energy: -152.833
bonds (distance) P-C4' energy: -104.724
flat angles C4'-P-C4' energy: -143.956
flat angles P-C4'-P energy: -77.941
tors. eta vs tors. theta energy: -98.784
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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1389.266807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.266807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.266807 (E_RNA)
where:
Base-Base interactions energy: -834.768
where: short stacking energy: -412.242
Base-Backbone interact. energy: -0.215
local terms energy: -554.284219
where:
bonds (distance) C4'-P energy: -129.832
bonds (distance) P-C4' energy: -135.742
flat angles C4'-P-C4' energy: -149.344
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -76.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -967.931030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.931030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.931030 (E_RNA)
where:
Base-Base interactions energy: -490.628
where: short stacking energy: -250.762
Base-Backbone interact. energy: -2.663
local terms energy: -474.639960
where:
bonds (distance) C4'-P energy: -127.545
bonds (distance) P-C4' energy: -137.560
flat angles C4'-P-C4' energy: -125.851
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -723.971557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.971557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.971557 (E_RNA)
where:
Base-Base interactions energy: -298.924
where: short stacking energy: -201.547
Base-Backbone interact. energy: 4.556
local terms energy: -429.603581
where:
bonds (distance) C4'-P energy: -143.186
bonds (distance) P-C4' energy: -143.604
flat angles C4'-P-C4' energy: -122.000
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: 33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2608.657318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.657318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.657318 (E_RNA)
where:
Base-Base interactions energy: -1741.707
where: short stacking energy: -775.818
Base-Backbone interact. energy: -2.701
local terms energy: -864.249081
where:
bonds (distance) C4'-P energy: -158.282
bonds (distance) P-C4' energy: -159.702
flat angles C4'-P-C4' energy: -185.161
flat angles P-C4'-P energy: -125.531
tors. eta vs tors. theta energy: -235.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2548.277337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.277337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.277337 (E_RNA)
where:
Base-Base interactions energy: -1757.238
where: short stacking energy: -749.009
Base-Backbone interact. energy: 1.241
local terms energy: -792.280916
where:
bonds (distance) C4'-P energy: -133.608
bonds (distance) P-C4' energy: -168.574
flat angles C4'-P-C4' energy: -174.368
flat angles P-C4'-P energy: -106.793
tors. eta vs tors. theta energy: -208.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2279.777076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.777076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.777076 (E_RNA)
where:
Base-Base interactions energy: -1506.469
where: short stacking energy: -679.775
Base-Backbone interact. energy: -2.428
local terms energy: -770.879732
where:
bonds (distance) C4'-P energy: -146.019
bonds (distance) P-C4' energy: -157.950
flat angles C4'-P-C4' energy: -167.888
flat angles P-C4'-P energy: -101.080
tors. eta vs tors. theta energy: -197.942
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2195.076424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.076424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.076424 (E_RNA)
where:
Base-Base interactions energy: -1438.749
where: short stacking energy: -633.026
Base-Backbone interact. energy: 1.502
local terms energy: -757.829806
where:
bonds (distance) C4'-P energy: -153.885
bonds (distance) P-C4' energy: -163.396
flat angles C4'-P-C4' energy: -159.173
flat angles P-C4'-P energy: -106.706
tors. eta vs tors. theta energy: -174.670
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2002.735186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.735186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.735186 (E_RNA)
where:
Base-Base interactions energy: -1300.968
where: short stacking energy: -557.184
Base-Backbone interact. energy: -1.835
local terms energy: -699.932020
where:
bonds (distance) C4'-P energy: -134.811
bonds (distance) P-C4' energy: -147.541
flat angles C4'-P-C4' energy: -160.015
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -150.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2035.697903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.697903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.697903 (E_RNA)
where:
Base-Base interactions energy: -1326.262
where: short stacking energy: -561.014
Base-Backbone interact. energy: -4.052
local terms energy: -705.383693
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -136.120
flat angles C4'-P-C4' energy: -174.188
flat angles P-C4'-P energy: -107.395
tors. eta vs tors. theta energy: -146.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1601.226674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.226674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.226674 (E_RNA)
where:
Base-Base interactions energy: -1019.389
where: short stacking energy: -448.753
Base-Backbone interact. energy: -4.253
local terms energy: -577.585327
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -142.250
flat angles C4'-P-C4' energy: -132.417
flat angles P-C4'-P energy: -86.804
tors. eta vs tors. theta energy: -93.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1290.556473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.556473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.556473 (E_RNA)
where:
Base-Base interactions energy: -775.023
where: short stacking energy: -370.575
Base-Backbone interact. energy: 0.355
local terms energy: -515.888276
where:
bonds (distance) C4'-P energy: -111.010
bonds (distance) P-C4' energy: -141.984
flat angles C4'-P-C4' energy: -133.871
flat angles P-C4'-P energy: -72.363
tors. eta vs tors. theta energy: -56.660
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: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -918.709121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.709121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.709121 (E_RNA)
where:
Base-Base interactions energy: -454.581
where: short stacking energy: -256.482
Base-Backbone interact. energy: 2.203
local terms energy: -466.330392
where:
bonds (distance) C4'-P energy: -139.054
bonds (distance) P-C4' energy: -146.451
flat angles C4'-P-C4' energy: -113.490
flat angles P-C4'-P energy: -58.145
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -715.448214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.448214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.448214 (E_RNA)
where:
Base-Base interactions energy: -320.619
where: short stacking energy: -218.824
Base-Backbone interact. energy: -1.301
local terms energy: -393.527854
where:
bonds (distance) C4'-P energy: -102.071
bonds (distance) P-C4' energy: -117.268
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -76.735
tors. eta vs tors. theta energy: 5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2621.132877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.132877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.132877 (E_RNA)
where:
Base-Base interactions energy: -1735.185
where: short stacking energy: -786.068
Base-Backbone interact. energy: -2.907
local terms energy: -883.041318
where:
bonds (distance) C4'-P energy: -170.386
bonds (distance) P-C4' energy: -164.698
flat angles C4'-P-C4' energy: -187.120
flat angles P-C4'-P energy: -127.582
tors. eta vs tors. theta energy: -233.256
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2525.694252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.694252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.694252 (E_RNA)
where:
Base-Base interactions energy: -1733.803
where: short stacking energy: -696.216
Base-Backbone interact. energy: -3.047
local terms energy: -788.843347
where:
bonds (distance) C4'-P energy: -142.381
bonds (distance) P-C4' energy: -162.449
flat angles C4'-P-C4' energy: -168.478
flat angles P-C4'-P energy: -120.999
tors. eta vs tors. theta energy: -194.535
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: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2308.465959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.465959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.465959 (E_RNA)
where:
Base-Base interactions energy: -1537.601
where: short stacking energy: -698.907
Base-Backbone interact. energy: -2.691
local terms energy: -768.173656
where:
bonds (distance) C4'-P energy: -139.072
bonds (distance) P-C4' energy: -158.148
flat angles C4'-P-C4' energy: -173.624
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -201.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2147.368404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.368404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.368404 (E_RNA)
where:
Base-Base interactions energy: -1381.846
where: short stacking energy: -659.176
Base-Backbone interact. energy: -2.176
local terms energy: -763.346338
where:
bonds (distance) C4'-P energy: -147.852
bonds (distance) P-C4' energy: -147.321
flat angles C4'-P-C4' energy: -165.508
flat angles P-C4'-P energy: -115.904
tors. eta vs tors. theta energy: -186.760
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: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1951.629334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.629334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.629334 (E_RNA)
where:
Base-Base interactions energy: -1290.298
where: short stacking energy: -582.774
Base-Backbone interact. energy: -4.065
local terms energy: -657.266294
where:
bonds (distance) C4'-P energy: -144.587
bonds (distance) P-C4' energy: -117.905
flat angles C4'-P-C4' energy: -160.076
flat angles P-C4'-P energy: -102.663
tors. eta vs tors. theta energy: -132.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2061.477873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.477873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.477873 (E_RNA)
where:
Base-Base interactions energy: -1361.109
where: short stacking energy: -584.501
Base-Backbone interact. energy: 0.049
local terms energy: -700.417425
where:
bonds (distance) C4'-P energy: -149.989
bonds (distance) P-C4' energy: -144.214
flat angles C4'-P-C4' energy: -156.210
flat angles P-C4'-P energy: -105.550
tors. eta vs tors. theta energy: -144.455
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1605.720434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.720434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.720434 (E_RNA)
where:
Base-Base interactions energy: -1005.575
where: short stacking energy: -440.167
Base-Backbone interact. energy: -3.929
local terms energy: -596.216594
where:
bonds (distance) C4'-P energy: -131.685
bonds (distance) P-C4' energy: -148.833
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -85.110
tors. eta vs tors. theta energy: -90.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1277.464166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.464166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.464166 (E_RNA)
where:
Base-Base interactions energy: -740.187
where: short stacking energy: -354.939
Base-Backbone interact. energy: 1.025
local terms energy: -538.301982
where:
bonds (distance) C4'-P energy: -123.547
bonds (distance) P-C4' energy: -138.674
flat angles C4'-P-C4' energy: -139.533
flat angles P-C4'-P energy: -83.332
tors. eta vs tors. theta energy: -53.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -932.618081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.618081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.618081 (E_RNA)
where:
Base-Base interactions energy: -451.834
where: short stacking energy: -244.278
Base-Backbone interact. energy: -1.436
local terms energy: -479.348726
where:
bonds (distance) C4'-P energy: -110.312
bonds (distance) P-C4' energy: -136.413
flat angles C4'-P-C4' energy: -138.606
flat angles P-C4'-P energy: -71.138
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -774.851820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.851820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.851820 (E_RNA)
where:
Base-Base interactions energy: -369.250
where: short stacking energy: -214.107
Base-Backbone interact. energy: 10.537
local terms energy: -416.138566
where:
bonds (distance) C4'-P energy: -136.290
bonds (distance) P-C4' energy: -134.822
flat angles C4'-P-C4' energy: -119.912
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: 22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2699.825871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.825871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.825871 (E_RNA)
where:
Base-Base interactions energy: -1801.930
where: short stacking energy: -814.044
Base-Backbone interact. energy: 1.053
local terms energy: -898.948960
where:
bonds (distance) C4'-P energy: -160.164
bonds (distance) P-C4' energy: -181.709
flat angles C4'-P-C4' energy: -190.438
flat angles P-C4'-P energy: -128.335
tors. eta vs tors. theta energy: -238.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2573.236647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.236647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.236647 (E_RNA)
where:
Base-Base interactions energy: -1749.564
where: short stacking energy: -744.608
Base-Backbone interact. energy: -5.313
local terms energy: -818.358751
where:
bonds (distance) C4'-P energy: -148.878
bonds (distance) P-C4' energy: -158.862
flat angles C4'-P-C4' energy: -187.864
flat angles P-C4'-P energy: -115.936
tors. eta vs tors. theta energy: -206.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2339.128501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.128501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.128501 (E_RNA)
where:
Base-Base interactions energy: -1550.735
where: short stacking energy: -700.855
Base-Backbone interact. energy: -2.241
local terms energy: -786.153316
where:
bonds (distance) C4'-P energy: -155.631
bonds (distance) P-C4' energy: -151.670
flat angles C4'-P-C4' energy: -177.583
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -195.108
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: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2119.804371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.804371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.804371 (E_RNA)
where:
Base-Base interactions energy: -1358.723
where: short stacking energy: -591.549
Base-Backbone interact. energy: -2.625
local terms energy: -758.455735
where:
bonds (distance) C4'-P energy: -152.330
bonds (distance) P-C4' energy: -156.072
flat angles C4'-P-C4' energy: -169.684
flat angles P-C4'-P energy: -104.048
tors. eta vs tors. theta energy: -176.323
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: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2014.625854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.625854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.625854 (E_RNA)
where:
Base-Base interactions energy: -1339.569
where: short stacking energy: -587.011
Base-Backbone interact. energy: -4.587
local terms energy: -670.469768
where:
bonds (distance) C4'-P energy: -128.962
bonds (distance) P-C4' energy: -152.118
flat angles C4'-P-C4' energy: -154.292
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -147.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2018.882617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.882617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.882617 (E_RNA)
where:
Base-Base interactions energy: -1343.080
where: short stacking energy: -606.777
Base-Backbone interact. energy: 0.676
local terms energy: -676.478135
where:
bonds (distance) C4'-P energy: -104.647
bonds (distance) P-C4' energy: -159.860
flat angles C4'-P-C4' energy: -154.820
flat angles P-C4'-P energy: -101.251
tors. eta vs tors. theta energy: -155.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1695.139119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.139119 (E_RNA)
where:
Base-Base interactions energy: -1063.497
where: short stacking energy: -473.280
Base-Backbone interact. energy: 1.544
local terms energy: -633.185940
where:
bonds (distance) C4'-P energy: -143.318
bonds (distance) P-C4' energy: -148.997
flat angles C4'-P-C4' energy: -152.069
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -108.648
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1312.148905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.148905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.148905 (E_RNA)
where:
Base-Base interactions energy: -776.270
where: short stacking energy: -390.786
Base-Backbone interact. energy: -1.246
local terms energy: -534.632825
where:
bonds (distance) C4'-P energy: -126.574
bonds (distance) P-C4' energy: -138.158
flat angles C4'-P-C4' energy: -143.595
flat angles P-C4'-P energy: -64.225
tors. eta vs tors. theta energy: -62.080
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: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -966.801896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.801896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.801896 (E_RNA)
where:
Base-Base interactions energy: -515.626
where: short stacking energy: -306.483
Base-Backbone interact. energy: 0.251
local terms energy: -451.426520
where:
bonds (distance) C4'-P energy: -118.679
bonds (distance) P-C4' energy: -97.628
flat angles C4'-P-C4' energy: -132.219
flat angles P-C4'-P energy: -58.574
tors. eta vs tors. theta energy: -44.327
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: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -736.230259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.230259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.230259 (E_RNA)
where:
Base-Base interactions energy: -315.867
where: short stacking energy: -218.496
Base-Backbone interact. energy: 1.538
local terms energy: -421.901109
where:
bonds (distance) C4'-P energy: -114.053
bonds (distance) P-C4' energy: -141.336
flat angles C4'-P-C4' energy: -121.964
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2707.281210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.281210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.281210 (E_RNA)
where:
Base-Base interactions energy: -1820.639
where: short stacking energy: -822.743
Base-Backbone interact. energy: -1.123
local terms energy: -885.518884
where:
bonds (distance) C4'-P energy: -175.237
bonds (distance) P-C4' energy: -158.798
flat angles C4'-P-C4' energy: -178.960
flat angles P-C4'-P energy: -123.687
tors. eta vs tors. theta energy: -248.837
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2548.977812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.977812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.977812 (E_RNA)
where:
Base-Base interactions energy: -1742.703
where: short stacking energy: -741.776
Base-Backbone interact. energy: -3.243
local terms energy: -803.032053
where:
bonds (distance) C4'-P energy: -144.191
bonds (distance) P-C4' energy: -165.486
flat angles C4'-P-C4' energy: -181.211
flat angles P-C4'-P energy: -111.939
tors. eta vs tors. theta energy: -200.204
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2315.969390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.969390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.969390 (E_RNA)
where:
Base-Base interactions energy: -1531.042
where: short stacking energy: -690.934
Base-Backbone interact. energy: -2.821
local terms energy: -782.105942
where:
bonds (distance) C4'-P energy: -134.112
bonds (distance) P-C4' energy: -173.679
flat angles C4'-P-C4' energy: -166.790
flat angles P-C4'-P energy: -109.657
tors. eta vs tors. theta energy: -197.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2138.214009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.214009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.214009 (E_RNA)
where:
Base-Base interactions energy: -1376.686
where: short stacking energy: -635.615
Base-Backbone interact. energy: -1.698
local terms energy: -759.830095
where:
bonds (distance) C4'-P energy: -143.283
bonds (distance) P-C4' energy: -160.692
flat angles C4'-P-C4' energy: -172.772
flat angles P-C4'-P energy: -116.826
tors. eta vs tors. theta energy: -166.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2103.593042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.593042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.593042 (E_RNA)
where:
Base-Base interactions energy: -1385.024
where: short stacking energy: -597.367
Base-Backbone interact. energy: 0.812
local terms energy: -719.380340
where:
bonds (distance) C4'-P energy: -158.511
bonds (distance) P-C4' energy: -155.952
flat angles C4'-P-C4' energy: -158.550
flat angles P-C4'-P energy: -97.807
tors. eta vs tors. theta energy: -148.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1988.849457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.849457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.849457 (E_RNA)
where:
Base-Base interactions energy: -1311.938
where: short stacking energy: -585.505
Base-Backbone interact. energy: -2.844
local terms energy: -674.067603
where:
bonds (distance) C4'-P energy: -141.199
bonds (distance) P-C4' energy: -154.957
flat angles C4'-P-C4' energy: -140.680
flat angles P-C4'-P energy: -100.501
tors. eta vs tors. theta energy: -136.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1679.891415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.891415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.891415 (E_RNA)
where:
Base-Base interactions energy: -1093.159
where: short stacking energy: -512.974
Base-Backbone interact. energy: 2.669
local terms energy: -589.401257
where:
bonds (distance) C4'-P energy: -130.373
bonds (distance) P-C4' energy: -136.378
flat angles C4'-P-C4' energy: -134.714
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: -111.583
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1341.492881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.492881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.492881 (E_RNA)
where:
Base-Base interactions energy: -772.328
where: short stacking energy: -386.071
Base-Backbone interact. energy: -1.265
local terms energy: -567.900174
where:
bonds (distance) C4'-P energy: -122.957
bonds (distance) P-C4' energy: -162.316
flat angles C4'-P-C4' energy: -139.868
flat angles P-C4'-P energy: -69.410
tors. eta vs tors. theta energy: -73.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -989.349183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.349183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.349183 (E_RNA)
where:
Base-Base interactions energy: -526.387
where: short stacking energy: -265.724
Base-Backbone interact. energy: -1.702
local terms energy: -461.260723
where:
bonds (distance) C4'-P energy: -129.998
bonds (distance) P-C4' energy: -140.174
flat angles C4'-P-C4' energy: -120.755
flat angles P-C4'-P energy: -54.853
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -752.734429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.734429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.734429 (E_RNA)
where:
Base-Base interactions energy: -326.602
where: short stacking energy: -199.114
Base-Backbone interact. energy: -1.321
local terms energy: -424.811341
where:
bonds (distance) C4'-P energy: -143.585
bonds (distance) P-C4' energy: -130.193
flat angles C4'-P-C4' energy: -127.812
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: 29.389
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: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2669.908676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.908676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.908676 (E_RNA)
where:
Base-Base interactions energy: -1787.942
where: short stacking energy: -821.031
Base-Backbone interact. energy: -1.726
local terms energy: -880.240469
where:
bonds (distance) C4'-P energy: -162.725
bonds (distance) P-C4' energy: -158.201
flat angles C4'-P-C4' energy: -179.917
flat angles P-C4'-P energy: -134.256
tors. eta vs tors. theta energy: -245.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2577.118413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.118413 (E_RNA)
where:
Base-Base interactions energy: -1764.459
where: short stacking energy: -759.452
Base-Backbone interact. energy: -4.593
local terms energy: -808.066633
where:
bonds (distance) C4'-P energy: -144.683
bonds (distance) P-C4' energy: -159.743
flat angles C4'-P-C4' energy: -183.577
flat angles P-C4'-P energy: -105.407
tors. eta vs tors. theta energy: -214.656
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: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2322.224282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.224282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.224282 (E_RNA)
where:
Base-Base interactions energy: -1531.830
where: short stacking energy: -662.701
Base-Backbone interact. energy: -4.118
local terms energy: -786.276991
where:
bonds (distance) C4'-P energy: -160.980
bonds (distance) P-C4' energy: -154.360
flat angles C4'-P-C4' energy: -182.246
flat angles P-C4'-P energy: -101.520
tors. eta vs tors. theta energy: -187.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2188.811161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.811161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.811161 (E_RNA)
where:
Base-Base interactions energy: -1465.829
where: short stacking energy: -633.321
Base-Backbone interact. energy: 2.047
local terms energy: -725.029893
where:
bonds (distance) C4'-P energy: -139.842
bonds (distance) P-C4' energy: -156.377
flat angles C4'-P-C4' energy: -160.382
flat angles P-C4'-P energy: -100.413
tors. eta vs tors. theta energy: -168.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2061.335050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.335050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.335050 (E_RNA)
where:
Base-Base interactions energy: -1330.644
where: short stacking energy: -617.189
Base-Backbone interact. energy: -2.970
local terms energy: -727.721742
where:
bonds (distance) C4'-P energy: -139.920
bonds (distance) P-C4' energy: -144.752
flat angles C4'-P-C4' energy: -170.582
flat angles P-C4'-P energy: -110.910
tors. eta vs tors. theta energy: -161.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1884.248413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.248413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.248413 (E_RNA)
where:
Base-Base interactions energy: -1246.698
where: short stacking energy: -537.537
Base-Backbone interact. energy: 6.610
local terms energy: -644.160489
where:
bonds (distance) C4'-P energy: -139.353
bonds (distance) P-C4' energy: -138.822
flat angles C4'-P-C4' energy: -156.463
flat angles P-C4'-P energy: -84.754
tors. eta vs tors. theta energy: -124.768
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1701.509767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.509767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.509767 (E_RNA)
where:
Base-Base interactions energy: -1065.599
where: short stacking energy: -495.209
Base-Backbone interact. energy: -0.498
local terms energy: -635.412274
where:
bonds (distance) C4'-P energy: -142.471
bonds (distance) P-C4' energy: -150.356
flat angles C4'-P-C4' energy: -140.322
flat angles P-C4'-P energy: -97.649
tors. eta vs tors. theta energy: -104.614
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: 133
Temperature: 1.250000
Total energy: -1279.845467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.845467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.845467 (E_RNA)
where:
Base-Base interactions energy: -743.350
where: short stacking energy: -365.287
Base-Backbone interact. energy: -1.057
local terms energy: -535.438947
where:
bonds (distance) C4'-P energy: -158.100
bonds (distance) P-C4' energy: -143.039
flat angles C4'-P-C4' energy: -114.047
flat angles P-C4'-P energy: -64.586
tors. eta vs tors. theta energy: -55.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -997.968162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.968162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.968162 (E_RNA)
where:
Base-Base interactions energy: -522.725
where: short stacking energy: -251.286
Base-Backbone interact. energy: 0.533
local terms energy: -475.776566
where:
bonds (distance) C4'-P energy: -136.024
bonds (distance) P-C4' energy: -133.640
flat angles C4'-P-C4' energy: -103.117
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -742.511794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.511794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.511794 (E_RNA)
where:
Base-Base interactions energy: -327.421
where: short stacking energy: -209.909
Base-Backbone interact. energy: 1.515
local terms energy: -416.605230
where:
bonds (distance) C4'-P energy: -126.313
bonds (distance) P-C4' energy: -138.881
flat angles C4'-P-C4' energy: -124.328
flat angles P-C4'-P energy: -49.626
tors. eta vs tors. theta energy: 22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2621.565842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.565842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.565842 (E_RNA)
where:
Base-Base interactions energy: -1786.866
where: short stacking energy: -784.448
Base-Backbone interact. energy: -1.294
local terms energy: -833.405852
where:
bonds (distance) C4'-P energy: -149.556
bonds (distance) P-C4' energy: -156.964
flat angles C4'-P-C4' energy: -178.456
flat angles P-C4'-P energy: -101.031
tors. eta vs tors. theta energy: -247.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2622.241776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.241776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.241776 (E_RNA)
where:
Base-Base interactions energy: -1810.458
where: short stacking energy: -742.266
Base-Backbone interact. energy: -5.330
local terms energy: -806.453136
where:
bonds (distance) C4'-P energy: -137.064
bonds (distance) P-C4' energy: -161.199
flat angles C4'-P-C4' energy: -182.998
flat angles P-C4'-P energy: -114.574
tors. eta vs tors. theta energy: -210.617
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: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2288.395030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.395030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.395030 (E_RNA)
where:
Base-Base interactions energy: -1513.568
where: short stacking energy: -668.670
Base-Backbone interact. energy: -5.049
local terms energy: -769.777418
where:
bonds (distance) C4'-P energy: -148.063
bonds (distance) P-C4' energy: -155.705
flat angles C4'-P-C4' energy: -167.491
flat angles P-C4'-P energy: -114.178
tors. eta vs tors. theta energy: -184.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2228.373629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.373629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.373629 (E_RNA)
where:
Base-Base interactions energy: -1484.344
where: short stacking energy: -656.204
Base-Backbone interact. energy: -2.396
local terms energy: -741.634029
where:
bonds (distance) C4'-P energy: -150.977
bonds (distance) P-C4' energy: -142.208
flat angles C4'-P-C4' energy: -161.502
flat angles P-C4'-P energy: -106.811
tors. eta vs tors. theta energy: -180.137
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2090.959371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.959371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.959371 (E_RNA)
where:
Base-Base interactions energy: -1385.078
where: short stacking energy: -622.480
Base-Backbone interact. energy: -2.513
local terms energy: -703.368263
where:
bonds (distance) C4'-P energy: -118.382
bonds (distance) P-C4' energy: -140.123
flat angles C4'-P-C4' energy: -178.821
flat angles P-C4'-P energy: -88.027
tors. eta vs tors. theta energy: -178.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1926.035195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.035195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.035195 (E_RNA)
where:
Base-Base interactions energy: -1288.974
where: short stacking energy: -558.509
Base-Backbone interact. energy: -4.896
local terms energy: -632.165026
where:
bonds (distance) C4'-P energy: -134.069
bonds (distance) P-C4' energy: -140.713
flat angles C4'-P-C4' energy: -149.727
flat angles P-C4'-P energy: -79.486
tors. eta vs tors. theta energy: -128.170
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1692.511278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.511278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.511278 (E_RNA)
where:
Base-Base interactions energy: -1088.201
where: short stacking energy: -488.189
Base-Backbone interact. energy: -1.415
local terms energy: -602.895441
where:
bonds (distance) C4'-P energy: -124.757
bonds (distance) P-C4' energy: -132.905
flat angles C4'-P-C4' energy: -140.665
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -124.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1311.996830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.996830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.996830 (E_RNA)
where:
Base-Base interactions energy: -763.372
where: short stacking energy: -357.531
Base-Backbone interact. energy: -3.882
local terms energy: -544.742991
where:
bonds (distance) C4'-P energy: -136.556
bonds (distance) P-C4' energy: -115.067
flat angles C4'-P-C4' energy: -137.120
flat angles P-C4'-P energy: -82.586
tors. eta vs tors. theta energy: -73.414
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: 134
Temperature: 1.300000
Total energy: -897.573477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.573477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.573477 (E_RNA)
where:
Base-Base interactions energy: -430.903
where: short stacking energy: -233.470
Base-Backbone interact. energy: 0.025
local terms energy: -466.695039
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -147.999
flat angles C4'-P-C4' energy: -121.510
flat angles P-C4'-P energy: -64.940
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -724.859206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.859206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.859206 (E_RNA)
where:
Base-Base interactions energy: -334.859
where: short stacking energy: -197.367
Base-Backbone interact. energy: 0.749
local terms energy: -390.749074
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -133.760
flat angles C4'-P-C4' energy: -102.077
flat angles P-C4'-P energy: -57.826
tors. eta vs tors. theta energy: 15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2608.371376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.371376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.371376 (E_RNA)
where:
Base-Base interactions energy: -1738.023
where: short stacking energy: -773.267
Base-Backbone interact. energy: -1.186
local terms energy: -869.162756
where:
bonds (distance) C4'-P energy: -163.508
bonds (distance) P-C4' energy: -149.223
flat angles C4'-P-C4' energy: -196.328
flat angles P-C4'-P energy: -125.684
tors. eta vs tors. theta energy: -234.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2603.516944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.516944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.516944 (E_RNA)
where:
Base-Base interactions energy: -1815.094
where: short stacking energy: -727.840
Base-Backbone interact. energy: -3.498
local terms energy: -784.925194
where:
bonds (distance) C4'-P energy: -154.578
bonds (distance) P-C4' energy: -146.173
flat angles C4'-P-C4' energy: -184.513
flat angles P-C4'-P energy: -91.602
tors. eta vs tors. theta energy: -208.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2301.826761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.826761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.826761 (E_RNA)
where:
Base-Base interactions energy: -1535.613
where: short stacking energy: -640.267
Base-Backbone interact. energy: -1.355
local terms energy: -764.858379
where:
bonds (distance) C4'-P energy: -161.192
bonds (distance) P-C4' energy: -149.175
flat angles C4'-P-C4' energy: -166.405
flat angles P-C4'-P energy: -114.537
tors. eta vs tors. theta energy: -173.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2224.450887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.450887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.450887 (E_RNA)
where:
Base-Base interactions energy: -1480.734
where: short stacking energy: -655.193
Base-Backbone interact. energy: -0.858
local terms energy: -742.858628
where:
bonds (distance) C4'-P energy: -134.908
bonds (distance) P-C4' energy: -150.849
flat angles C4'-P-C4' energy: -162.657
flat angles P-C4'-P energy: -106.032
tors. eta vs tors. theta energy: -188.413
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2067.691761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.691761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.691761 (E_RNA)
where:
Base-Base interactions energy: -1346.837
where: short stacking energy: -587.082
Base-Backbone interact. energy: 0.741
local terms energy: -721.596027
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -149.506
flat angles C4'-P-C4' energy: -168.344
flat angles P-C4'-P energy: -102.989
tors. eta vs tors. theta energy: -177.510
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: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1933.968675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.968675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.968675 (E_RNA)
where:
Base-Base interactions energy: -1256.602
where: short stacking energy: -531.083
Base-Backbone interact. energy: -1.812
local terms energy: -675.554758
where:
bonds (distance) C4'-P energy: -139.387
bonds (distance) P-C4' energy: -161.709
flat angles C4'-P-C4' energy: -147.056
flat angles P-C4'-P energy: -89.742
tors. eta vs tors. theta energy: -137.661
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: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1698.505559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.505559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.505559 (E_RNA)
where:
Base-Base interactions energy: -1039.870
where: short stacking energy: -472.403
Base-Backbone interact. energy: -0.957
local terms energy: -658.075486
where:
bonds (distance) C4'-P energy: -143.291
bonds (distance) P-C4' energy: -145.646
flat angles C4'-P-C4' energy: -148.357
flat angles P-C4'-P energy: -95.595
tors. eta vs tors. theta energy: -125.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1357.695558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.695558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.695558 (E_RNA)
where:
Base-Base interactions energy: -824.819
where: short stacking energy: -403.993
Base-Backbone interact. energy: 0.991
local terms energy: -533.867990
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -118.598
flat angles C4'-P-C4' energy: -145.807
flat angles P-C4'-P energy: -89.385
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -902.659327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.659327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.659327 (E_RNA)
where:
Base-Base interactions energy: -458.597
where: short stacking energy: -276.064
Base-Backbone interact. energy: 1.633
local terms energy: -445.695001
where:
bonds (distance) C4'-P energy: -119.505
bonds (distance) P-C4' energy: -139.164
flat angles C4'-P-C4' energy: -117.657
flat angles P-C4'-P energy: -69.942
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -740.068423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.068423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.068423 (E_RNA)
where:
Base-Base interactions energy: -308.486
where: short stacking energy: -190.716
Base-Backbone interact. energy: 4.364
local terms energy: -435.946138
where:
bonds (distance) C4'-P energy: -144.218
bonds (distance) P-C4' energy: -127.136
flat angles C4'-P-C4' energy: -116.942
flat angles P-C4'-P energy: -69.919
tors. eta vs tors. theta energy: 22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2639.623928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.623928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.623928 (E_RNA)
where:
Base-Base interactions energy: -1769.969
where: short stacking energy: -774.914
Base-Backbone interact. energy: -3.817
local terms energy: -865.837758
where:
bonds (distance) C4'-P energy: -165.881
bonds (distance) P-C4' energy: -156.586
flat angles C4'-P-C4' energy: -182.807
flat angles P-C4'-P energy: -127.328
tors. eta vs tors. theta energy: -233.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2618.282261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.282261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.282261 (E_RNA)
where:
Base-Base interactions energy: -1821.523
where: short stacking energy: -746.456
Base-Backbone interact. energy: -0.610
local terms energy: -796.149452
where:
bonds (distance) C4'-P energy: -149.533
bonds (distance) P-C4' energy: -165.672
flat angles C4'-P-C4' energy: -166.757
flat angles P-C4'-P energy: -113.767
tors. eta vs tors. theta energy: -200.421
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2301.386146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.386146 (E_RNA)
where:
Base-Base interactions energy: -1515.741
where: short stacking energy: -690.329
Base-Backbone interact. energy: -4.944
local terms energy: -780.701557
where:
bonds (distance) C4'-P energy: -154.049
bonds (distance) P-C4' energy: -150.485
flat angles C4'-P-C4' energy: -164.201
flat angles P-C4'-P energy: -109.504
tors. eta vs tors. theta energy: -202.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2248.491494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.491494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.491494 (E_RNA)
where:
Base-Base interactions energy: -1498.621
where: short stacking energy: -647.058
Base-Backbone interact. energy: -4.946
local terms energy: -744.924513
where:
bonds (distance) C4'-P energy: -140.435
bonds (distance) P-C4' energy: -146.780
flat angles C4'-P-C4' energy: -175.234
flat angles P-C4'-P energy: -110.866
tors. eta vs tors. theta energy: -171.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2017.178047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.178047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.178047 (E_RNA)
where:
Base-Base interactions energy: -1295.907
where: short stacking energy: -598.771
Base-Backbone interact. energy: -1.023
local terms energy: -720.248116
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -162.870
flat angles C4'-P-C4' energy: -155.160
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -156.095
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: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1927.858323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.858323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.858323 (E_RNA)
where:
Base-Base interactions energy: -1239.766
where: short stacking energy: -515.045
Base-Backbone interact. energy: -0.645
local terms energy: -687.446673
where:
bonds (distance) C4'-P energy: -150.248
bonds (distance) P-C4' energy: -146.711
flat angles C4'-P-C4' energy: -151.995
flat angles P-C4'-P energy: -100.837
tors. eta vs tors. theta energy: -137.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1735.588266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.588266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.588266 (E_RNA)
where:
Base-Base interactions energy: -1083.418
where: short stacking energy: -494.445
Base-Backbone interact. energy: -2.570
local terms energy: -649.600776
where:
bonds (distance) C4'-P energy: -138.667
bonds (distance) P-C4' energy: -149.092
flat angles C4'-P-C4' energy: -152.072
flat angles P-C4'-P energy: -77.888
tors. eta vs tors. theta energy: -131.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1352.203482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.203482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.203482 (E_RNA)
where:
Base-Base interactions energy: -795.638
where: short stacking energy: -380.237
Base-Backbone interact. energy: 2.069
local terms energy: -558.634489
where:
bonds (distance) C4'-P energy: -135.388
bonds (distance) P-C4' energy: -140.711
flat angles C4'-P-C4' energy: -140.802
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -72.767
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -934.988253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.988253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.988253 (E_RNA)
where:
Base-Base interactions energy: -499.557
where: short stacking energy: -290.251
Base-Backbone interact. energy: -3.529
local terms energy: -431.902111
where:
bonds (distance) C4'-P energy: -128.221
bonds (distance) P-C4' energy: -109.298
flat angles C4'-P-C4' energy: -127.060
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -763.890944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.890944 (E_RNA)
where:
Base-Base interactions energy: -361.850
where: short stacking energy: -206.020
Base-Backbone interact. energy: 2.271
local terms energy: -404.312631
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -108.047
flat angles C4'-P-C4' energy: -138.142
flat angles P-C4'-P energy: -78.074
tors. eta vs tors. theta energy: 40.879
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: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2617.700626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.700626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.700626 (E_RNA)
where:
Base-Base interactions energy: -1757.159
where: short stacking energy: -781.941
Base-Backbone interact. energy: -1.862
local terms energy: -858.679838
where:
bonds (distance) C4'-P energy: -159.021
bonds (distance) P-C4' energy: -161.814
flat angles C4'-P-C4' energy: -183.617
flat angles P-C4'-P energy: -117.487
tors. eta vs tors. theta energy: -236.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2605.153488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.153488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.153488 (E_RNA)
where:
Base-Base interactions energy: -1786.673
where: short stacking energy: -744.498
Base-Backbone interact. energy: -3.256
local terms energy: -815.224783
where:
bonds (distance) C4'-P energy: -150.573
bonds (distance) P-C4' energy: -172.628
flat angles C4'-P-C4' energy: -179.051
flat angles P-C4'-P energy: -101.290
tors. eta vs tors. theta energy: -211.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2287.282575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.282575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.282575 (E_RNA)
where:
Base-Base interactions energy: -1521.706
where: short stacking energy: -655.802
Base-Backbone interact. energy: 0.446
local terms energy: -766.023124
where:
bonds (distance) C4'-P energy: -162.634
bonds (distance) P-C4' energy: -138.043
flat angles C4'-P-C4' energy: -167.507
flat angles P-C4'-P energy: -104.306
tors. eta vs tors. theta energy: -193.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2223.889160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.889160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.889160 (E_RNA)
where:
Base-Base interactions energy: -1489.212
where: short stacking energy: -643.070
Base-Backbone interact. energy: -1.292
local terms energy: -733.384662
where:
bonds (distance) C4'-P energy: -149.362
bonds (distance) P-C4' energy: -145.212
flat angles C4'-P-C4' energy: -161.508
flat angles P-C4'-P energy: -100.348
tors. eta vs tors. theta energy: -176.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1977.262758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.262758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.262758 (E_RNA)
where:
Base-Base interactions energy: -1262.005
where: short stacking energy: -584.593
Base-Backbone interact. energy: -3.291
local terms energy: -711.967090
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -152.656
flat angles C4'-P-C4' energy: -168.229
flat angles P-C4'-P energy: -95.287
tors. eta vs tors. theta energy: -154.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1946.377658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.377658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.377658 (E_RNA)
where:
Base-Base interactions energy: -1275.519
where: short stacking energy: -555.922
Base-Backbone interact. energy: -1.667
local terms energy: -669.192383
where:
bonds (distance) C4'-P energy: -133.848
bonds (distance) P-C4' energy: -157.018
flat angles C4'-P-C4' energy: -148.121
flat angles P-C4'-P energy: -96.999
tors. eta vs tors. theta energy: -133.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1699.722805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.722805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.722805 (E_RNA)
where:
Base-Base interactions energy: -1072.382
where: short stacking energy: -507.915
Base-Backbone interact. energy: -2.268
local terms energy: -625.072453
where:
bonds (distance) C4'-P energy: -125.273
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -144.681
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -128.413
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: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1398.260181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.260181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.260181 (E_RNA)
where:
Base-Base interactions energy: -862.450
where: short stacking energy: -412.093
Base-Backbone interact. energy: -1.896
local terms energy: -533.913437
where:
bonds (distance) C4'-P energy: -119.250
bonds (distance) P-C4' energy: -128.006
flat angles C4'-P-C4' energy: -145.926
flat angles P-C4'-P energy: -91.535
tors. eta vs tors. theta energy: -49.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -953.165786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.165786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.165786 (E_RNA)
where:
Base-Base interactions energy: -458.339
where: short stacking energy: -256.699
Base-Backbone interact. energy: -2.271
local terms energy: -492.555264
where:
bonds (distance) C4'-P energy: -150.315
bonds (distance) P-C4' energy: -145.900
flat angles C4'-P-C4' energy: -119.966
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -738.321638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.321638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.321638 (E_RNA)
where:
Base-Base interactions energy: -318.975
where: short stacking energy: -194.643
Base-Backbone interact. energy: -0.015
local terms energy: -419.331560
where:
bonds (distance) C4'-P energy: -132.264
bonds (distance) P-C4' energy: -102.794
flat angles C4'-P-C4' energy: -131.266
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: 18.081
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2631.311287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.311287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.311287 (E_RNA)
where:
Base-Base interactions energy: -1758.434
where: short stacking energy: -782.745
Base-Backbone interact. energy: -2.389
local terms energy: -870.488320
where:
bonds (distance) C4'-P energy: -156.784
bonds (distance) P-C4' energy: -172.838
flat angles C4'-P-C4' energy: -192.804
flat angles P-C4'-P energy: -112.953
tors. eta vs tors. theta energy: -235.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2628.384352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.384352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.384352 (E_RNA)
where:
Base-Base interactions energy: -1829.416
where: short stacking energy: -774.973
Base-Backbone interact. energy: -3.396
local terms energy: -795.571728
where:
bonds (distance) C4'-P energy: -137.193
bonds (distance) P-C4' energy: -171.709
flat angles C4'-P-C4' energy: -178.896
flat angles P-C4'-P energy: -104.652
tors. eta vs tors. theta energy: -203.122
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: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2268.977622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.977622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.977622 (E_RNA)
where:
Base-Base interactions energy: -1526.668
where: short stacking energy: -681.671
Base-Backbone interact. energy: 7.810
local terms energy: -750.119927
where:
bonds (distance) C4'-P energy: -151.680
bonds (distance) P-C4' energy: -156.916
flat angles C4'-P-C4' energy: -162.569
flat angles P-C4'-P energy: -87.756
tors. eta vs tors. theta energy: -191.199
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2210.164885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.164885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.164885 (E_RNA)
where:
Base-Base interactions energy: -1466.398
where: short stacking energy: -611.877
Base-Backbone interact. energy: -1.764
local terms energy: -742.002954
where:
bonds (distance) C4'-P energy: -147.184
bonds (distance) P-C4' energy: -151.176
flat angles C4'-P-C4' energy: -178.953
flat angles P-C4'-P energy: -85.756
tors. eta vs tors. theta energy: -178.934
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2056.989469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.989469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.989469 (E_RNA)
where:
Base-Base interactions energy: -1365.978
where: short stacking energy: -583.409
Base-Backbone interact. energy: -4.077
local terms energy: -686.934525
where:
bonds (distance) C4'-P energy: -144.466
bonds (distance) P-C4' energy: -147.046
flat angles C4'-P-C4' energy: -162.545
flat angles P-C4'-P energy: -97.997
tors. eta vs tors. theta energy: -134.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1855.763018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.763018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.763018 (E_RNA)
where:
Base-Base interactions energy: -1208.124
where: short stacking energy: -544.110
Base-Backbone interact. energy: -0.656
local terms energy: -646.982936
where:
bonds (distance) C4'-P energy: -127.563
bonds (distance) P-C4' energy: -153.102
flat angles C4'-P-C4' energy: -133.257
flat angles P-C4'-P energy: -93.404
tors. eta vs tors. theta energy: -139.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1713.789706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.789706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.789706 (E_RNA)
where:
Base-Base interactions energy: -1098.721
where: short stacking energy: -497.659
Base-Backbone interact. energy: -0.590
local terms energy: -614.478867
where:
bonds (distance) C4'-P energy: -115.518
bonds (distance) P-C4' energy: -158.409
flat angles C4'-P-C4' energy: -143.272
flat angles P-C4'-P energy: -83.646
tors. eta vs tors. theta energy: -113.634
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: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1499.910336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.910336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.910336 (E_RNA)
where:
Base-Base interactions energy: -930.125
where: short stacking energy: -428.231
Base-Backbone interact. energy: 1.510
local terms energy: -571.295275
where:
bonds (distance) C4'-P energy: -132.785
bonds (distance) P-C4' energy: -127.335
flat angles C4'-P-C4' energy: -148.309
flat angles P-C4'-P energy: -83.105
tors. eta vs tors. theta energy: -79.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -897.578263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.578263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.578263 (E_RNA)
where:
Base-Base interactions energy: -443.699
where: short stacking energy: -253.726
Base-Backbone interact. energy: 2.384
local terms energy: -456.262322
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -143.944
flat angles C4'-P-C4' energy: -111.554
flat angles P-C4'-P energy: -60.385
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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -748.015321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.015321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.015321 (E_RNA)
where:
Base-Base interactions energy: -349.911
where: short stacking energy: -245.491
Base-Backbone interact. energy: 13.118
local terms energy: -411.223005
where:
bonds (distance) C4'-P energy: -121.992
bonds (distance) P-C4' energy: -126.338
flat angles C4'-P-C4' energy: -107.843
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: 9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2626.492489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.492489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.492489 (E_RNA)
where:
Base-Base interactions energy: -1773.738
where: short stacking energy: -800.390
Base-Backbone interact. energy: -2.622
local terms energy: -850.131729
where:
bonds (distance) C4'-P energy: -159.732
bonds (distance) P-C4' energy: -160.752
flat angles C4'-P-C4' energy: -187.051
flat angles P-C4'-P energy: -113.540
tors. eta vs tors. theta energy: -229.057
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2616.228237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.228237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.228237 (E_RNA)
where:
Base-Base interactions energy: -1808.943
where: short stacking energy: -746.653
Base-Backbone interact. energy: -5.128
local terms energy: -802.157168
where:
bonds (distance) C4'-P energy: -148.317
bonds (distance) P-C4' energy: -156.475
flat angles C4'-P-C4' energy: -173.164
flat angles P-C4'-P energy: -119.603
tors. eta vs tors. theta energy: -204.598
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2240.423782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.423782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.423782 (E_RNA)
where:
Base-Base interactions energy: -1468.972
where: short stacking energy: -646.906
Base-Backbone interact. energy: -0.898
local terms energy: -770.553113
where:
bonds (distance) C4'-P energy: -159.924
bonds (distance) P-C4' energy: -158.328
flat angles C4'-P-C4' energy: -159.836
flat angles P-C4'-P energy: -114.561
tors. eta vs tors. theta energy: -177.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2244.626651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.626651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.626651 (E_RNA)
where:
Base-Base interactions energy: -1508.770
where: short stacking energy: -648.488
Base-Backbone interact. energy: -5.882
local terms energy: -729.974912
where:
bonds (distance) C4'-P energy: -132.589
bonds (distance) P-C4' energy: -158.416
flat angles C4'-P-C4' energy: -175.883
flat angles P-C4'-P energy: -90.252
tors. eta vs tors. theta energy: -172.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2027.085060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.085060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.085060 (E_RNA)
where:
Base-Base interactions energy: -1341.903
where: short stacking energy: -575.947
Base-Backbone interact. energy: -1.525
local terms energy: -683.656689
where:
bonds (distance) C4'-P energy: -154.072
bonds (distance) P-C4' energy: -134.516
flat angles C4'-P-C4' energy: -148.530
flat angles P-C4'-P energy: -102.358
tors. eta vs tors. theta energy: -144.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1887.134092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.134092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.134092 (E_RNA)
where:
Base-Base interactions energy: -1226.825
where: short stacking energy: -541.709
Base-Backbone interact. energy: -3.934
local terms energy: -656.374863
where:
bonds (distance) C4'-P energy: -130.143
bonds (distance) P-C4' energy: -136.673
flat angles C4'-P-C4' energy: -153.084
flat angles P-C4'-P energy: -93.203
tors. eta vs tors. theta energy: -143.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1736.207599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.207599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.207599 (E_RNA)
where:
Base-Base interactions energy: -1142.813
where: short stacking energy: -530.835
Base-Backbone interact. energy: 0.392
local terms energy: -593.786251
where:
bonds (distance) C4'-P energy: -118.635
bonds (distance) P-C4' energy: -133.760
flat angles C4'-P-C4' energy: -138.796
flat angles P-C4'-P energy: -79.367
tors. eta vs tors. theta energy: -123.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1512.935580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.935580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.935580 (E_RNA)
where:
Base-Base interactions energy: -922.902
where: short stacking energy: -411.618
Base-Backbone interact. energy: -1.135
local terms energy: -588.898508
where:
bonds (distance) C4'-P energy: -125.772
bonds (distance) P-C4' energy: -143.623
flat angles C4'-P-C4' energy: -141.273
flat angles P-C4'-P energy: -96.070
tors. eta vs tors. theta energy: -82.160
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: 139
Temperature: 1.300000
Total energy: -953.198396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.198396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.198396 (E_RNA)
where:
Base-Base interactions energy: -504.705
where: short stacking energy: -265.104
Base-Backbone interact. energy: 2.679
local terms energy: -451.172383
where:
bonds (distance) C4'-P energy: -136.959
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -28.140
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: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -709.697359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.697359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.697359 (E_RNA)
where:
Base-Base interactions energy: -290.742
where: short stacking energy: -206.030
Base-Backbone interact. energy: 0.656
local terms energy: -419.610734
where:
bonds (distance) C4'-P energy: -140.666
bonds (distance) P-C4' energy: -114.478
flat angles C4'-P-C4' energy: -111.093
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: 17.791
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: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2691.913266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.913266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.913266 (E_RNA)
where:
Base-Base interactions energy: -1836.418
where: short stacking energy: -755.104
Base-Backbone interact. energy: -1.904
local terms energy: -853.591682
where:
bonds (distance) C4'-P energy: -159.539
bonds (distance) P-C4' energy: -173.072
flat angles C4'-P-C4' energy: -178.608
flat angles P-C4'-P energy: -129.975
tors. eta vs tors. theta energy: -212.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2550.502468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.502468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.502468 (E_RNA)
where:
Base-Base interactions energy: -1708.694
where: short stacking energy: -759.306
Base-Backbone interact. energy: -0.999
local terms energy: -840.808865
where:
bonds (distance) C4'-P energy: -143.333
bonds (distance) P-C4' energy: -166.638
flat angles C4'-P-C4' energy: -175.313
flat angles P-C4'-P energy: -122.375
tors. eta vs tors. theta energy: -233.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2301.091824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.091824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.091824 (E_RNA)
where:
Base-Base interactions energy: -1535.588
where: short stacking energy: -695.810
Base-Backbone interact. energy: -4.103
local terms energy: -761.401122
where:
bonds (distance) C4'-P energy: -148.633
bonds (distance) P-C4' energy: -150.523
flat angles C4'-P-C4' energy: -164.099
flat angles P-C4'-P energy: -108.356
tors. eta vs tors. theta energy: -189.791
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2197.120709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.120709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.120709 (E_RNA)
where:
Base-Base interactions energy: -1478.352
where: short stacking energy: -635.832
Base-Backbone interact. energy: -2.291
local terms energy: -716.477063
where:
bonds (distance) C4'-P energy: -142.649
bonds (distance) P-C4' energy: -134.045
flat angles C4'-P-C4' energy: -158.200
flat angles P-C4'-P energy: -105.928
tors. eta vs tors. theta energy: -175.654
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2043.015673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.015673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.015673 (E_RNA)
where:
Base-Base interactions energy: -1358.059
where: short stacking energy: -603.360
Base-Backbone interact. energy: -0.668
local terms energy: -684.288469
where:
bonds (distance) C4'-P energy: -143.662
bonds (distance) P-C4' energy: -131.277
flat angles C4'-P-C4' energy: -150.978
flat angles P-C4'-P energy: -106.487
tors. eta vs tors. theta energy: -151.885
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: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1890.356107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.356107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.356107 (E_RNA)
where:
Base-Base interactions energy: -1224.674
where: short stacking energy: -565.508
Base-Backbone interact. energy: 2.412
local terms energy: -668.094303
where:
bonds (distance) C4'-P energy: -134.088
bonds (distance) P-C4' energy: -139.268
flat angles C4'-P-C4' energy: -142.928
flat angles P-C4'-P energy: -99.930
tors. eta vs tors. theta energy: -151.881
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: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1747.994361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.994361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.994361 (E_RNA)
where:
Base-Base interactions energy: -1132.349
where: short stacking energy: -494.965
Base-Backbone interact. energy: -2.041
local terms energy: -613.604201
where:
bonds (distance) C4'-P energy: -121.456
bonds (distance) P-C4' energy: -129.337
flat angles C4'-P-C4' energy: -156.211
flat angles P-C4'-P energy: -82.064
tors. eta vs tors. theta energy: -124.536
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: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1472.724201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.724201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.724201 (E_RNA)
where:
Base-Base interactions energy: -891.036
where: short stacking energy: -449.217
Base-Backbone interact. energy: 4.854
local terms energy: -586.542351
where:
bonds (distance) C4'-P energy: -115.349
bonds (distance) P-C4' energy: -145.222
flat angles C4'-P-C4' energy: -151.931
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -94.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -998.542793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.542793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.542793 (E_RNA)
where:
Base-Base interactions energy: -516.040
where: short stacking energy: -271.616
Base-Backbone interact. energy: -1.245
local terms energy: -481.257666
where:
bonds (distance) C4'-P energy: -120.911
bonds (distance) P-C4' energy: -149.219
flat angles C4'-P-C4' energy: -123.322
flat angles P-C4'-P energy: -68.299
tors. eta vs tors. theta energy: -19.507
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: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -763.456799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.456799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.456799 (E_RNA)
where:
Base-Base interactions energy: -340.436
where: short stacking energy: -218.525
Base-Backbone interact. energy: -2.210
local terms energy: -420.810996
where:
bonds (distance) C4'-P energy: -113.370
bonds (distance) P-C4' energy: -143.946
flat angles C4'-P-C4' energy: -114.205
flat angles P-C4'-P energy: -60.648
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: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2668.303877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.303877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.303877 (E_RNA)
where:
Base-Base interactions energy: -1833.865
where: short stacking energy: -794.533
Base-Backbone interact. energy: -1.349
local terms energy: -833.089725
where:
bonds (distance) C4'-P energy: -156.691
bonds (distance) P-C4' energy: -161.922
flat angles C4'-P-C4' energy: -177.079
flat angles P-C4'-P energy: -108.465
tors. eta vs tors. theta energy: -228.933
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: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2555.832685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.832685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.832685 (E_RNA)
where:
Base-Base interactions energy: -1711.858
where: short stacking energy: -771.021
Base-Backbone interact. energy: -1.424
local terms energy: -842.580200
where:
bonds (distance) C4'-P energy: -158.455
bonds (distance) P-C4' energy: -173.793
flat angles C4'-P-C4' energy: -171.320
flat angles P-C4'-P energy: -114.964
tors. eta vs tors. theta energy: -224.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2263.763232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.763232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.763232 (E_RNA)
where:
Base-Base interactions energy: -1517.922
where: short stacking energy: -674.158
Base-Backbone interact. energy: -4.393
local terms energy: -741.447963
where:
bonds (distance) C4'-P energy: -128.600
bonds (distance) P-C4' energy: -137.471
flat angles C4'-P-C4' energy: -159.315
flat angles P-C4'-P energy: -116.596
tors. eta vs tors. theta energy: -199.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2192.621830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.621830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.621830 (E_RNA)
where:
Base-Base interactions energy: -1453.080
where: short stacking energy: -627.385
Base-Backbone interact. energy: -3.766
local terms energy: -735.775777
where:
bonds (distance) C4'-P energy: -143.469
bonds (distance) P-C4' energy: -148.838
flat angles C4'-P-C4' energy: -175.642
flat angles P-C4'-P energy: -96.820
tors. eta vs tors. theta energy: -171.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2007.412923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.412923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.412923 (E_RNA)
where:
Base-Base interactions energy: -1324.044
where: short stacking energy: -584.045
Base-Backbone interact. energy: -1.115
local terms energy: -682.253816
where:
bonds (distance) C4'-P energy: -144.811
bonds (distance) P-C4' energy: -148.510
flat angles C4'-P-C4' energy: -146.971
flat angles P-C4'-P energy: -86.255
tors. eta vs tors. theta energy: -155.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1910.900414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.900414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.900414 (E_RNA)
where:
Base-Base interactions energy: -1227.805
where: short stacking energy: -545.894
Base-Backbone interact. energy: -1.085
local terms energy: -682.010767
where:
bonds (distance) C4'-P energy: -140.202
bonds (distance) P-C4' energy: -140.766
flat angles C4'-P-C4' energy: -149.018
flat angles P-C4'-P energy: -108.726
tors. eta vs tors. theta energy: -143.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1649.276667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.276667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.276667 (E_RNA)
where:
Base-Base interactions energy: -1048.560
where: short stacking energy: -459.532
Base-Backbone interact. energy: -2.645
local terms energy: -598.071753
where:
bonds (distance) C4'-P energy: -148.769
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -142.433
flat angles P-C4'-P energy: -77.753
tors. eta vs tors. theta energy: -103.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1447.430556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.430556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.430556 (E_RNA)
where:
Base-Base interactions energy: -896.169
where: short stacking energy: -394.395
Base-Backbone interact. energy: 1.274
local terms energy: -552.535805
where:
bonds (distance) C4'-P energy: -136.419
bonds (distance) P-C4' energy: -151.343
flat angles C4'-P-C4' energy: -118.578
flat angles P-C4'-P energy: -77.499
tors. eta vs tors. theta energy: -68.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1012.609669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.609669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.609669 (E_RNA)
where:
Base-Base interactions energy: -525.549
where: short stacking energy: -291.813
Base-Backbone interact. energy: 0.833
local terms energy: -487.893276
where:
bonds (distance) C4'-P energy: -134.947
bonds (distance) P-C4' energy: -133.045
flat angles C4'-P-C4' energy: -126.710
flat angles P-C4'-P energy: -69.629
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -755.739586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.739586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.739586 (E_RNA)
where:
Base-Base interactions energy: -330.420
where: short stacking energy: -204.491
Base-Backbone interact. energy: -0.635
local terms energy: -424.684636
where:
bonds (distance) C4'-P energy: -126.841
bonds (distance) P-C4' energy: -145.555
flat angles C4'-P-C4' energy: -120.463
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: 46.863
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: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2684.972970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.972970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.972970 (E_RNA)
where:
Base-Base interactions energy: -1865.925
where: short stacking energy: -781.235
Base-Backbone interact. energy: -4.625
local terms energy: -814.423075
where:
bonds (distance) C4'-P energy: -163.398
bonds (distance) P-C4' energy: -151.286
flat angles C4'-P-C4' energy: -176.586
flat angles P-C4'-P energy: -103.042
tors. eta vs tors. theta energy: -220.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2560.175434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.175434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.175434 (E_RNA)
where:
Base-Base interactions energy: -1710.507
where: short stacking energy: -774.137
Base-Backbone interact. energy: -1.107
local terms energy: -848.561427
where:
bonds (distance) C4'-P energy: -164.837
bonds (distance) P-C4' energy: -160.518
flat angles C4'-P-C4' energy: -178.747
flat angles P-C4'-P energy: -108.317
tors. eta vs tors. theta energy: -236.142
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: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2297.955722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.955722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.955722 (E_RNA)
where:
Base-Base interactions energy: -1526.101
where: short stacking energy: -706.712
Base-Backbone interact. energy: -3.771
local terms energy: -768.083042
where:
bonds (distance) C4'-P energy: -142.812
bonds (distance) P-C4' energy: -159.854
flat angles C4'-P-C4' energy: -160.382
flat angles P-C4'-P energy: -108.262
tors. eta vs tors. theta energy: -196.774
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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2205.665364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.665364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.665364 (E_RNA)
where:
Base-Base interactions energy: -1445.899
where: short stacking energy: -627.184
Base-Backbone interact. energy: -1.187
local terms energy: -758.579129
where:
bonds (distance) C4'-P energy: -153.886
bonds (distance) P-C4' energy: -145.947
flat angles C4'-P-C4' energy: -172.485
flat angles P-C4'-P energy: -111.294
tors. eta vs tors. theta energy: -174.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2020.196977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.196977 (E_RNA)
where:
Base-Base interactions energy: -1333.475
where: short stacking energy: -621.356
Base-Backbone interact. energy: 1.977
local terms energy: -688.698717
where:
bonds (distance) C4'-P energy: -143.176
bonds (distance) P-C4' energy: -142.201
flat angles C4'-P-C4' energy: -158.571
flat angles P-C4'-P energy: -82.161
tors. eta vs tors. theta energy: -162.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1857.432949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.432949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.432949 (E_RNA)
where:
Base-Base interactions energy: -1205.497
where: short stacking energy: -511.942
Base-Backbone interact. energy: -2.578
local terms energy: -649.358018
where:
bonds (distance) C4'-P energy: -120.553
bonds (distance) P-C4' energy: -139.936
flat angles C4'-P-C4' energy: -166.511
flat angles P-C4'-P energy: -98.082
tors. eta vs tors. theta energy: -124.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1690.238914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.238914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.238914 (E_RNA)
where:
Base-Base interactions energy: -1091.757
where: short stacking energy: -501.686
Base-Backbone interact. energy: -1.916
local terms energy: -596.565381
where:
bonds (distance) C4'-P energy: -111.596
bonds (distance) P-C4' energy: -139.143
flat angles C4'-P-C4' energy: -144.056
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -122.357
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: 142
Temperature: 1.250000
Total energy: -1359.177285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.177285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.177285 (E_RNA)
where:
Base-Base interactions energy: -831.386
where: short stacking energy: -396.468
Base-Backbone interact. energy: 0.302
local terms energy: -528.093649
where:
bonds (distance) C4'-P energy: -128.320
bonds (distance) P-C4' energy: -129.838
flat angles C4'-P-C4' energy: -120.066
flat angles P-C4'-P energy: -77.131
tors. eta vs tors. theta energy: -72.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1030.333324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.333324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.333324 (E_RNA)
where:
Base-Base interactions energy: -600.818
where: short stacking energy: -308.683
Base-Backbone interact. energy: 6.159
local terms energy: -435.674519
where:
bonds (distance) C4'-P energy: -129.680
bonds (distance) P-C4' energy: -101.130
flat angles C4'-P-C4' energy: -121.253
flat angles P-C4'-P energy: -71.659
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -731.102124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.102124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.102124 (E_RNA)
where:
Base-Base interactions energy: -323.777
where: short stacking energy: -218.629
Base-Backbone interact. energy: -1.890
local terms energy: -405.434991
where:
bonds (distance) C4'-P energy: -117.414
bonds (distance) P-C4' energy: -133.444
flat angles C4'-P-C4' energy: -97.189
flat angles P-C4'-P energy: -71.877
tors. eta vs tors. theta energy: 14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2681.238520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.238520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.238520 (E_RNA)
where:
Base-Base interactions energy: -1836.952
where: short stacking energy: -768.717
Base-Backbone interact. energy: 5.635
local terms energy: -849.920657
where:
bonds (distance) C4'-P energy: -157.323
bonds (distance) P-C4' energy: -170.113
flat angles C4'-P-C4' energy: -187.111
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -218.064
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: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2557.725709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.725709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.725709 (E_RNA)
where:
Base-Base interactions energy: -1716.988
where: short stacking energy: -777.585
Base-Backbone interact. energy: -1.363
local terms energy: -839.375206
where:
bonds (distance) C4'-P energy: -148.173
bonds (distance) P-C4' energy: -158.500
flat angles C4'-P-C4' energy: -186.457
flat angles P-C4'-P energy: -121.732
tors. eta vs tors. theta energy: -224.514
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: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2267.198203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.198203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.198203 (E_RNA)
where:
Base-Base interactions energy: -1479.931
where: short stacking energy: -671.963
Base-Backbone interact. energy: -2.145
local terms energy: -785.122460
where:
bonds (distance) C4'-P energy: -143.699
bonds (distance) P-C4' energy: -169.313
flat angles C4'-P-C4' energy: -173.183
flat angles P-C4'-P energy: -104.646
tors. eta vs tors. theta energy: -194.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2251.107170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.107170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.107170 (E_RNA)
where:
Base-Base interactions energy: -1512.771
where: short stacking energy: -634.504
Base-Backbone interact. energy: -3.179
local terms energy: -735.157500
where:
bonds (distance) C4'-P energy: -137.888
bonds (distance) P-C4' energy: -159.450
flat angles C4'-P-C4' energy: -166.276
flat angles P-C4'-P energy: -99.886
tors. eta vs tors. theta energy: -171.658
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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1966.841030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.841030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.841030 (E_RNA)
where:
Base-Base interactions energy: -1274.298
where: short stacking energy: -543.794
Base-Backbone interact. energy: 0.644
local terms energy: -693.187838
where:
bonds (distance) C4'-P energy: -141.261
bonds (distance) P-C4' energy: -163.950
flat angles C4'-P-C4' energy: -158.446
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -128.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1916.745840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.745840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.745840 (E_RNA)
where:
Base-Base interactions energy: -1246.394
where: short stacking energy: -523.508
Base-Backbone interact. energy: 0.285
local terms energy: -670.637290
where:
bonds (distance) C4'-P energy: -132.534
bonds (distance) P-C4' energy: -144.116
flat angles C4'-P-C4' energy: -160.962
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -139.312
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1697.415626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.415626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.415626 (E_RNA)
where:
Base-Base interactions energy: -1077.585
where: short stacking energy: -497.020
Base-Backbone interact. energy: -2.145
local terms energy: -617.685557
where:
bonds (distance) C4'-P energy: -144.980
bonds (distance) P-C4' energy: -152.711
flat angles C4'-P-C4' energy: -149.062
flat angles P-C4'-P energy: -86.790
tors. eta vs tors. theta energy: -84.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1331.387469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.387469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.387469 (E_RNA)
where:
Base-Base interactions energy: -785.746
where: short stacking energy: -388.781
Base-Backbone interact. energy: -0.230
local terms energy: -545.411232
where:
bonds (distance) C4'-P energy: -122.226
bonds (distance) P-C4' energy: -153.936
flat angles C4'-P-C4' energy: -138.791
flat angles P-C4'-P energy: -64.555
tors. eta vs tors. theta energy: -65.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1123.642976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.642976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.642976 (E_RNA)
where:
Base-Base interactions energy: -639.848
where: short stacking energy: -303.541
Base-Backbone interact. energy: -3.131
local terms energy: -480.663246
where:
bonds (distance) C4'-P energy: -118.382
bonds (distance) P-C4' energy: -127.742
flat angles C4'-P-C4' energy: -124.325
flat angles P-C4'-P energy: -75.893
tors. eta vs tors. theta energy: -34.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -773.679709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.679709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.679709 (E_RNA)
where:
Base-Base interactions energy: -350.853
where: short stacking energy: -216.177
Base-Backbone interact. energy: -3.346
local terms energy: -419.480297
where:
bonds (distance) C4'-P energy: -138.333
bonds (distance) P-C4' energy: -130.154
flat angles C4'-P-C4' energy: -95.632
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: 24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2682.300969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.300969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.300969 (E_RNA)
where:
Base-Base interactions energy: -1842.607
where: short stacking energy: -778.893
Base-Backbone interact. energy: -7.125
local terms energy: -832.568386
where:
bonds (distance) C4'-P energy: -159.329
bonds (distance) P-C4' energy: -157.788
flat angles C4'-P-C4' energy: -170.560
flat angles P-C4'-P energy: -119.939
tors. eta vs tors. theta energy: -224.953
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: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2544.607838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.607838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.607838 (E_RNA)
where:
Base-Base interactions energy: -1719.383
where: short stacking energy: -758.439
Base-Backbone interact. energy: 3.758
local terms energy: -828.982208
where:
bonds (distance) C4'-P energy: -137.569
bonds (distance) P-C4' energy: -144.361
flat angles C4'-P-C4' energy: -179.143
flat angles P-C4'-P energy: -128.469
tors. eta vs tors. theta energy: -239.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2289.078374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.078374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.078374 (E_RNA)
where:
Base-Base interactions energy: -1538.364
where: short stacking energy: -675.554
Base-Backbone interact. energy: -5.408
local terms energy: -745.306283
where:
bonds (distance) C4'-P energy: -159.282
bonds (distance) P-C4' energy: -145.876
flat angles C4'-P-C4' energy: -150.284
flat angles P-C4'-P energy: -107.849
tors. eta vs tors. theta energy: -182.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2199.544974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.544974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.544974 (E_RNA)
where:
Base-Base interactions energy: -1476.237
where: short stacking energy: -622.836
Base-Backbone interact. energy: 2.771
local terms energy: -726.078461
where:
bonds (distance) C4'-P energy: -145.196
bonds (distance) P-C4' energy: -145.365
flat angles C4'-P-C4' energy: -177.058
flat angles P-C4'-P energy: -104.115
tors. eta vs tors. theta energy: -154.344
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: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1978.838763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.838763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.838763 (E_RNA)
where:
Base-Base interactions energy: -1271.215
where: short stacking energy: -577.062
Base-Backbone interact. energy: 0.270
local terms energy: -707.893890
where:
bonds (distance) C4'-P energy: -148.260
bonds (distance) P-C4' energy: -161.381
flat angles C4'-P-C4' energy: -148.811
flat angles P-C4'-P energy: -103.998
tors. eta vs tors. theta energy: -145.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1952.015343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.015343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.015343 (E_RNA)
where:
Base-Base interactions energy: -1264.093
where: short stacking energy: -575.248
Base-Backbone interact. energy: 5.194
local terms energy: -693.378341
where:
bonds (distance) C4'-P energy: -138.572
bonds (distance) P-C4' energy: -155.966
flat angles C4'-P-C4' energy: -162.236
flat angles P-C4'-P energy: -91.040
tors. eta vs tors. theta energy: -145.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1747.255671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.255671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.255671 (E_RNA)
where:
Base-Base interactions energy: -1135.058
where: short stacking energy: -509.012
Base-Backbone interact. energy: -3.353
local terms energy: -608.844187
where:
bonds (distance) C4'-P energy: -121.243
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -145.879
flat angles P-C4'-P energy: -90.860
tors. eta vs tors. theta energy: -115.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1258.265409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.265409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.265409 (E_RNA)
where:
Base-Base interactions energy: -753.967
where: short stacking energy: -355.599
Base-Backbone interact. energy: -0.652
local terms energy: -503.645917
where:
bonds (distance) C4'-P energy: -137.698
bonds (distance) P-C4' energy: -142.224
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -71.737
tors. eta vs tors. theta energy: -39.273
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: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1154.321091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.321091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.321091 (E_RNA)
where:
Base-Base interactions energy: -686.725
where: short stacking energy: -316.348
Base-Backbone interact. energy: 5.612
local terms energy: -473.208473
where:
bonds (distance) C4'-P energy: -133.873
bonds (distance) P-C4' energy: -121.970
flat angles C4'-P-C4' energy: -115.086
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -42.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -748.621956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.621956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.621956 (E_RNA)
where:
Base-Base interactions energy: -305.832
where: short stacking energy: -220.160
Base-Backbone interact. energy: -0.558
local terms energy: -442.231833
where:
bonds (distance) C4'-P energy: -145.502
bonds (distance) P-C4' energy: -143.109
flat angles C4'-P-C4' energy: -104.932
flat angles P-C4'-P energy: -62.335
tors. eta vs tors. theta energy: 13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2682.846660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.846660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.846660 (E_RNA)
where:
Base-Base interactions energy: -1859.920
where: short stacking energy: -784.353
Base-Backbone interact. energy: -4.617
local terms energy: -818.309449
where:
bonds (distance) C4'-P energy: -149.052
bonds (distance) P-C4' energy: -161.392
flat angles C4'-P-C4' energy: -173.767
flat angles P-C4'-P energy: -110.815
tors. eta vs tors. theta energy: -223.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2554.074387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.074387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.074387 (E_RNA)
where:
Base-Base interactions energy: -1712.685
where: short stacking energy: -767.548
Base-Backbone interact. energy: -4.288
local terms energy: -837.100657
where:
bonds (distance) C4'-P energy: -164.334
bonds (distance) P-C4' energy: -154.488
flat angles C4'-P-C4' energy: -175.996
flat angles P-C4'-P energy: -106.239
tors. eta vs tors. theta energy: -236.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2241.132770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.132770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.132770 (E_RNA)
where:
Base-Base interactions energy: -1440.943
where: short stacking energy: -642.404
Base-Backbone interact. energy: -3.736
local terms energy: -796.453726
where:
bonds (distance) C4'-P energy: -174.399
bonds (distance) P-C4' energy: -140.772
flat angles C4'-P-C4' energy: -167.098
flat angles P-C4'-P energy: -120.385
tors. eta vs tors. theta energy: -193.800
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2265.051117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.051117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.051117 (E_RNA)
where:
Base-Base interactions energy: -1497.850
where: short stacking energy: -664.563
Base-Backbone interact. energy: -0.723
local terms energy: -766.478818
where:
bonds (distance) C4'-P energy: -149.777
bonds (distance) P-C4' energy: -156.039
flat angles C4'-P-C4' energy: -152.070
flat angles P-C4'-P energy: -108.669
tors. eta vs tors. theta energy: -199.924
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: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2002.553634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.553634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.553634 (E_RNA)
where:
Base-Base interactions energy: -1339.299
where: short stacking energy: -608.037
Base-Backbone interact. energy: -1.074
local terms energy: -662.180678
where:
bonds (distance) C4'-P energy: -135.594
bonds (distance) P-C4' energy: -136.520
flat angles C4'-P-C4' energy: -158.606
flat angles P-C4'-P energy: -73.155
tors. eta vs tors. theta energy: -158.307
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: 145
Temperature: 1.150000
Total energy: -1861.138923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.138923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.138923 (E_RNA)
where:
Base-Base interactions energy: -1223.535
where: short stacking energy: -564.175
Base-Backbone interact. energy: 0.708
local terms energy: -638.311155
where:
bonds (distance) C4'-P energy: -151.854
bonds (distance) P-C4' energy: -134.615
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -84.075
tors. eta vs tors. theta energy: -131.728
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1801.869380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.869380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.869380 (E_RNA)
where:
Base-Base interactions energy: -1167.608
where: short stacking energy: -502.015
Base-Backbone interact. energy: 0.862
local terms energy: -635.123518
where:
bonds (distance) C4'-P energy: -137.124
bonds (distance) P-C4' energy: -132.293
flat angles C4'-P-C4' energy: -143.115
flat angles P-C4'-P energy: -90.021
tors. eta vs tors. theta energy: -132.570
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: 145
Temperature: 1.250000
Total energy: -1350.663945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.663945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.663945 (E_RNA)
where:
Base-Base interactions energy: -783.628
where: short stacking energy: -363.083
Base-Backbone interact. energy: -2.633
local terms energy: -564.402981
where:
bonds (distance) C4'-P energy: -137.967
bonds (distance) P-C4' energy: -152.468
flat angles C4'-P-C4' energy: -128.528
flat angles P-C4'-P energy: -81.092
tors. eta vs tors. theta energy: -64.348
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: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1179.433451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.433451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.433451 (E_RNA)
where:
Base-Base interactions energy: -694.706
where: short stacking energy: -339.036
Base-Backbone interact. energy: 5.195
local terms energy: -489.922231
where:
bonds (distance) C4'-P energy: -132.163
bonds (distance) P-C4' energy: -148.356
flat angles C4'-P-C4' energy: -90.601
flat angles P-C4'-P energy: -79.720
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: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -719.991203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.991203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.991203 (E_RNA)
where:
Base-Base interactions energy: -284.519
where: short stacking energy: -195.342
Base-Backbone interact. energy: -0.526
local terms energy: -434.946112
where:
bonds (distance) C4'-P energy: -139.157
bonds (distance) P-C4' energy: -146.476
flat angles C4'-P-C4' energy: -87.689
flat angles P-C4'-P energy: -63.132
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: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2663.442779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.442779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.442779 (E_RNA)
where:
Base-Base interactions energy: -1808.690
where: short stacking energy: -774.216
Base-Backbone interact. energy: -4.466
local terms energy: -850.285847
where:
bonds (distance) C4'-P energy: -160.932
bonds (distance) P-C4' energy: -168.945
flat angles C4'-P-C4' energy: -186.808
flat angles P-C4'-P energy: -110.989
tors. eta vs tors. theta energy: -222.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2564.693174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.693174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.693174 (E_RNA)
where:
Base-Base interactions energy: -1739.612
where: short stacking energy: -768.872
Base-Backbone interact. energy: -1.527
local terms energy: -823.553712
where:
bonds (distance) C4'-P energy: -134.979
bonds (distance) P-C4' energy: -166.019
flat angles C4'-P-C4' energy: -179.914
flat angles P-C4'-P energy: -109.610
tors. eta vs tors. theta energy: -233.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2258.244537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.244537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.244537 (E_RNA)
where:
Base-Base interactions energy: -1472.661
where: short stacking energy: -638.944
Base-Backbone interact. energy: 0.348
local terms energy: -785.931428
where:
bonds (distance) C4'-P energy: -154.879
bonds (distance) P-C4' energy: -157.362
flat angles C4'-P-C4' energy: -171.840
flat angles P-C4'-P energy: -117.307
tors. eta vs tors. theta energy: -184.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2290.120220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.120220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.120220 (E_RNA)
where:
Base-Base interactions energy: -1538.785
where: short stacking energy: -641.982
Base-Backbone interact. energy: 5.770
local terms energy: -757.105224
where:
bonds (distance) C4'-P energy: -146.554
bonds (distance) P-C4' energy: -162.932
flat angles C4'-P-C4' energy: -172.290
flat angles P-C4'-P energy: -97.723
tors. eta vs tors. theta energy: -177.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1990.647973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.647973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.647973 (E_RNA)
where:
Base-Base interactions energy: -1292.962
where: short stacking energy: -594.310
Base-Backbone interact. energy: 1.506
local terms energy: -699.192527
where:
bonds (distance) C4'-P energy: -144.315
bonds (distance) P-C4' energy: -136.208
flat angles C4'-P-C4' energy: -166.614
flat angles P-C4'-P energy: -101.495
tors. eta vs tors. theta energy: -150.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1904.866967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.866967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.866967 (E_RNA)
where:
Base-Base interactions energy: -1243.716
where: short stacking energy: -566.101
Base-Backbone interact. energy: -2.997
local terms energy: -658.154546
where:
bonds (distance) C4'-P energy: -135.572
bonds (distance) P-C4' energy: -141.860
flat angles C4'-P-C4' energy: -151.347
flat angles P-C4'-P energy: -94.172
tors. eta vs tors. theta energy: -135.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1739.062541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.062541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.062541 (E_RNA)
where:
Base-Base interactions energy: -1120.309
where: short stacking energy: -503.151
Base-Backbone interact. energy: -0.525
local terms energy: -618.228136
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -152.927
flat angles C4'-P-C4' energy: -150.631
flat angles P-C4'-P energy: -79.630
tors. eta vs tors. theta energy: -115.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1235.980893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.980893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.980893 (E_RNA)
where:
Base-Base interactions energy: -769.117
where: short stacking energy: -342.544
Base-Backbone interact. energy: 2.778
local terms energy: -469.641030
where:
bonds (distance) C4'-P energy: -130.144
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -31.613
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: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1145.332687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.332687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.332687 (E_RNA)
where:
Base-Base interactions energy: -647.920
where: short stacking energy: -303.587
Base-Backbone interact. energy: 3.362
local terms energy: -500.774485
where:
bonds (distance) C4'-P energy: -128.912
bonds (distance) P-C4' energy: -138.642
flat angles C4'-P-C4' energy: -129.909
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -28.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -729.128688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.128688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.128688 (E_RNA)
where:
Base-Base interactions energy: -308.314
where: short stacking energy: -199.872
Base-Backbone interact. energy: -0.223
local terms energy: -420.592023
where:
bonds (distance) C4'-P energy: -143.314
bonds (distance) P-C4' energy: -126.449
flat angles C4'-P-C4' energy: -108.376
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: 4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2678.078259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.078259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.078259 (E_RNA)
where:
Base-Base interactions energy: -1848.637
where: short stacking energy: -782.657
Base-Backbone interact. energy: -5.515
local terms energy: -823.926606
where:
bonds (distance) C4'-P energy: -146.365
bonds (distance) P-C4' energy: -173.836
flat angles C4'-P-C4' energy: -181.037
flat angles P-C4'-P energy: -103.577
tors. eta vs tors. theta energy: -219.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2550.217083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.217083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.217083 (E_RNA)
where:
Base-Base interactions energy: -1693.977
where: short stacking energy: -739.750
Base-Backbone interact. energy: -1.617
local terms energy: -854.623568
where:
bonds (distance) C4'-P energy: -166.886
bonds (distance) P-C4' energy: -173.380
flat angles C4'-P-C4' energy: -178.884
flat angles P-C4'-P energy: -112.751
tors. eta vs tors. theta energy: -222.722
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: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2313.302480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.302480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.302480 (E_RNA)
where:
Base-Base interactions energy: -1534.118
where: short stacking energy: -669.354
Base-Backbone interact. energy: -3.427
local terms energy: -775.757631
where:
bonds (distance) C4'-P energy: -156.198
bonds (distance) P-C4' energy: -157.586
flat angles C4'-P-C4' energy: -180.667
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -185.299
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2248.931366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.931366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.931366 (E_RNA)
where:
Base-Base interactions energy: -1511.416
where: short stacking energy: -672.329
Base-Backbone interact. energy: -2.006
local terms energy: -735.509520
where:
bonds (distance) C4'-P energy: -150.379
bonds (distance) P-C4' energy: -152.709
flat angles C4'-P-C4' energy: -161.415
flat angles P-C4'-P energy: -89.176
tors. eta vs tors. theta energy: -181.831
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1996.961851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.961851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.961851 (E_RNA)
where:
Base-Base interactions energy: -1280.825
where: short stacking energy: -580.040
Base-Backbone interact. energy: -0.247
local terms energy: -715.889455
where:
bonds (distance) C4'-P energy: -151.332
bonds (distance) P-C4' energy: -141.685
flat angles C4'-P-C4' energy: -157.661
flat angles P-C4'-P energy: -107.191
tors. eta vs tors. theta energy: -158.021
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: 147
Temperature: 1.150000
Total energy: -1831.727936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.727936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.727936 (E_RNA)
where:
Base-Base interactions energy: -1203.281
where: short stacking energy: -536.986
Base-Backbone interact. energy: 3.650
local terms energy: -632.096651
where:
bonds (distance) C4'-P energy: -132.694
bonds (distance) P-C4' energy: -143.203
flat angles C4'-P-C4' energy: -139.403
flat angles P-C4'-P energy: -86.601
tors. eta vs tors. theta energy: -130.196
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1812.567259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.567259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.567259 (E_RNA)
where:
Base-Base interactions energy: -1198.114
where: short stacking energy: -530.633
Base-Backbone interact. energy: -3.122
local terms energy: -611.330982
where:
bonds (distance) C4'-P energy: -131.976
bonds (distance) P-C4' energy: -140.632
flat angles C4'-P-C4' energy: -141.170
flat angles P-C4'-P energy: -64.180
tors. eta vs tors. theta energy: -133.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1274.266139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.266139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.266139 (E_RNA)
where:
Base-Base interactions energy: -750.251
where: short stacking energy: -352.760
Base-Backbone interact. energy: -0.881
local terms energy: -523.133990
where:
bonds (distance) C4'-P energy: -148.336
bonds (distance) P-C4' energy: -121.159
flat angles C4'-P-C4' energy: -123.157
flat angles P-C4'-P energy: -82.356
tors. eta vs tors. theta energy: -48.126
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: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1125.723508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.723508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.723508 (E_RNA)
where:
Base-Base interactions energy: -677.315
where: short stacking energy: -331.798
Base-Backbone interact. energy: 0.192
local terms energy: -448.600872
where:
bonds (distance) C4'-P energy: -114.640
bonds (distance) P-C4' energy: -122.731
flat angles C4'-P-C4' energy: -104.146
flat angles P-C4'-P energy: -68.786
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -718.348120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.348120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.348120 (E_RNA)
where:
Base-Base interactions energy: -313.039
where: short stacking energy: -213.582
Base-Backbone interact. energy: -1.321
local terms energy: -403.988126
where:
bonds (distance) C4'-P energy: -112.871
bonds (distance) P-C4' energy: -107.922
flat angles C4'-P-C4' energy: -121.472
flat angles P-C4'-P energy: -66.072
tors. eta vs tors. theta energy: 4.349
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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2666.006700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.006700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.006700 (E_RNA)
where:
Base-Base interactions energy: -1843.743
where: short stacking energy: -762.884
Base-Backbone interact. energy: 3.438
local terms energy: -825.700829
where:
bonds (distance) C4'-P energy: -165.409
bonds (distance) P-C4' energy: -164.904
flat angles C4'-P-C4' energy: -178.382
flat angles P-C4'-P energy: -111.510
tors. eta vs tors. theta energy: -205.496
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: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2532.295924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.295924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.295924 (E_RNA)
where:
Base-Base interactions energy: -1692.884
where: short stacking energy: -756.407
Base-Backbone interact. energy: 1.097
local terms energy: -840.509080
where:
bonds (distance) C4'-P energy: -147.531
bonds (distance) P-C4' energy: -170.990
flat angles C4'-P-C4' energy: -180.389
flat angles P-C4'-P energy: -109.896
tors. eta vs tors. theta energy: -231.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2290.925271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.925271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.925271 (E_RNA)
where:
Base-Base interactions energy: -1522.863
where: short stacking energy: -672.179
Base-Backbone interact. energy: -4.835
local terms energy: -763.227344
where:
bonds (distance) C4'-P energy: -153.923
bonds (distance) P-C4' energy: -161.833
flat angles C4'-P-C4' energy: -161.182
flat angles P-C4'-P energy: -97.048
tors. eta vs tors. theta energy: -189.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2224.001292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.001292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.001292 (E_RNA)
where:
Base-Base interactions energy: -1499.680
where: short stacking energy: -638.844
Base-Backbone interact. energy: 0.656
local terms energy: -724.977083
where:
bonds (distance) C4'-P energy: -143.151
bonds (distance) P-C4' energy: -140.484
flat angles C4'-P-C4' energy: -177.646
flat angles P-C4'-P energy: -93.901
tors. eta vs tors. theta energy: -169.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1988.514573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.514573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.514573 (E_RNA)
where:
Base-Base interactions energy: -1284.027
where: short stacking energy: -570.673
Base-Backbone interact. energy: 1.660
local terms energy: -706.147913
where:
bonds (distance) C4'-P energy: -138.933
bonds (distance) P-C4' energy: -139.786
flat angles C4'-P-C4' energy: -170.647
flat angles P-C4'-P energy: -98.407
tors. eta vs tors. theta energy: -158.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1952.757351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.757351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.757351 (E_RNA)
where:
Base-Base interactions energy: -1277.308
where: short stacking energy: -569.763
Base-Backbone interact. energy: -1.797
local terms energy: -673.652762
where:
bonds (distance) C4'-P energy: -147.443
bonds (distance) P-C4' energy: -146.846
flat angles C4'-P-C4' energy: -162.197
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -134.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1764.430319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.430319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.430319 (E_RNA)
where:
Base-Base interactions energy: -1173.003
where: short stacking energy: -524.902
Base-Backbone interact. energy: 2.964
local terms energy: -594.390790
where:
bonds (distance) C4'-P energy: -118.567
bonds (distance) P-C4' energy: -132.965
flat angles C4'-P-C4' energy: -126.603
flat angles P-C4'-P energy: -96.577
tors. eta vs tors. theta energy: -119.678
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: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1282.831644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.831644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.831644 (E_RNA)
where:
Base-Base interactions energy: -757.872
where: short stacking energy: -375.380
Base-Backbone interact. energy: -3.933
local terms energy: -521.027098
where:
bonds (distance) C4'-P energy: -129.085
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -69.335
tors. eta vs tors. theta energy: -56.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1107.638290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.638290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.638290 (E_RNA)
where:
Base-Base interactions energy: -612.046
where: short stacking energy: -304.517
Base-Backbone interact. energy: 0.180
local terms energy: -495.772057
where:
bonds (distance) C4'-P energy: -134.900
bonds (distance) P-C4' energy: -130.714
flat angles C4'-P-C4' energy: -121.312
flat angles P-C4'-P energy: -82.583
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -763.797118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.797118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.797118 (E_RNA)
where:
Base-Base interactions energy: -326.485
where: short stacking energy: -199.972
Base-Backbone interact. energy: 9.194
local terms energy: -446.506064
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -154.311
flat angles C4'-P-C4' energy: -104.670
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: 10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2700.469575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.469575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.469575 (E_RNA)
where:
Base-Base interactions energy: -1865.634
where: short stacking energy: -774.402
Base-Backbone interact. energy: -2.573
local terms energy: -832.261893
where:
bonds (distance) C4'-P energy: -165.109
bonds (distance) P-C4' energy: -170.614
flat angles C4'-P-C4' energy: -178.981
flat angles P-C4'-P energy: -105.670
tors. eta vs tors. theta energy: -211.888
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: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2551.659657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.659657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.659657 (E_RNA)
where:
Base-Base interactions energy: -1700.602
where: short stacking energy: -752.734
Base-Backbone interact. energy: -1.861
local terms energy: -849.196471
where:
bonds (distance) C4'-P energy: -140.389
bonds (distance) P-C4' energy: -165.982
flat angles C4'-P-C4' energy: -178.511
flat angles P-C4'-P energy: -127.914
tors. eta vs tors. theta energy: -236.401
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2356.634138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.634138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.634138 (E_RNA)
where:
Base-Base interactions energy: -1549.053
where: short stacking energy: -686.874
Base-Backbone interact. energy: -0.396
local terms energy: -807.184965
where:
bonds (distance) C4'-P energy: -160.672
bonds (distance) P-C4' energy: -159.147
flat angles C4'-P-C4' energy: -172.927
flat angles P-C4'-P energy: -107.177
tors. eta vs tors. theta energy: -207.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2280.371033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.371033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.371033 (E_RNA)
where:
Base-Base interactions energy: -1536.093
where: short stacking energy: -622.639
Base-Backbone interact. energy: -0.285
local terms energy: -743.992415
where:
bonds (distance) C4'-P energy: -159.753
bonds (distance) P-C4' energy: -145.654
flat angles C4'-P-C4' energy: -177.614
flat angles P-C4'-P energy: -91.910
tors. eta vs tors. theta energy: -169.061
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: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2019.228200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.228200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.228200 (E_RNA)
where:
Base-Base interactions energy: -1299.104
where: short stacking energy: -602.198
Base-Backbone interact. energy: -1.283
local terms energy: -718.841217
where:
bonds (distance) C4'-P energy: -157.895
bonds (distance) P-C4' energy: -155.289
flat angles C4'-P-C4' energy: -162.087
flat angles P-C4'-P energy: -88.344
tors. eta vs tors. theta energy: -155.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1926.984864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.984864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.984864 (E_RNA)
where:
Base-Base interactions energy: -1222.901
where: short stacking energy: -549.046
Base-Backbone interact. energy: -2.489
local terms energy: -701.594786
where:
bonds (distance) C4'-P energy: -140.823
bonds (distance) P-C4' energy: -156.327
flat angles C4'-P-C4' energy: -155.388
flat angles P-C4'-P energy: -89.344
tors. eta vs tors. theta energy: -159.714
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1784.444013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.444013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.444013 (E_RNA)
where:
Base-Base interactions energy: -1130.029
where: short stacking energy: -509.743
Base-Backbone interact. energy: -1.993
local terms energy: -652.421645
where:
bonds (distance) C4'-P energy: -123.726
bonds (distance) P-C4' energy: -140.609
flat angles C4'-P-C4' energy: -167.485
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -136.860
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: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1311.521491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.521491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.521491 (E_RNA)
where:
Base-Base interactions energy: -797.020
where: short stacking energy: -388.393
Base-Backbone interact. energy: 7.646
local terms energy: -522.146863
where:
bonds (distance) C4'-P energy: -124.973
bonds (distance) P-C4' energy: -135.729
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -79.692
tors. eta vs tors. theta energy: -48.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1120.113996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.113996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.113996 (E_RNA)
where:
Base-Base interactions energy: -665.437
where: short stacking energy: -319.415
Base-Backbone interact. energy: -1.244
local terms energy: -453.432652
where:
bonds (distance) C4'-P energy: -115.911
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -112.818
flat angles P-C4'-P energy: -67.487
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -717.988002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.988002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.988002 (E_RNA)
where:
Base-Base interactions energy: -284.396
where: short stacking energy: -193.318
Base-Backbone interact. energy: 1.262
local terms energy: -435.261625
where:
bonds (distance) C4'-P energy: -125.434
bonds (distance) P-C4' energy: -140.945
flat angles C4'-P-C4' energy: -113.803
flat angles P-C4'-P energy: -47.929
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2676.660600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.660600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.660600 (E_RNA)
where:
Base-Base interactions energy: -1848.689
where: short stacking energy: -753.920
Base-Backbone interact. energy: -8.037
local terms energy: -819.935465
where:
bonds (distance) C4'-P energy: -157.527
bonds (distance) P-C4' energy: -161.471
flat angles C4'-P-C4' energy: -176.465
flat angles P-C4'-P energy: -114.278
tors. eta vs tors. theta energy: -210.194
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: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2551.628579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.628579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.628579 (E_RNA)
where:
Base-Base interactions energy: -1707.519
where: short stacking energy: -742.330
Base-Backbone interact. energy: -3.539
local terms energy: -841.007878
where:
bonds (distance) C4'-P energy: -165.908
bonds (distance) P-C4' energy: -156.573
flat angles C4'-P-C4' energy: -172.283
flat angles P-C4'-P energy: -125.466
tors. eta vs tors. theta energy: -220.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.437 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2350.422693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.422693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.422693 (E_RNA)
where:
Base-Base interactions energy: -1579.369
where: short stacking energy: -689.571
Base-Backbone interact. energy: -4.258
local terms energy: -766.795558
where:
bonds (distance) C4'-P energy: -149.018
bonds (distance) P-C4' energy: -139.965
flat angles C4'-P-C4' energy: -171.097
flat angles P-C4'-P energy: -115.695
tors. eta vs tors. theta energy: -191.021
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: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2231.707520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.707520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.707520 (E_RNA)
where:
Base-Base interactions energy: -1535.182
where: short stacking energy: -626.545
Base-Backbone interact. energy: -2.761
local terms energy: -693.764680
where:
bonds (distance) C4'-P energy: -132.328
bonds (distance) P-C4' energy: -148.906
flat angles C4'-P-C4' energy: -156.616
flat angles P-C4'-P energy: -93.220
tors. eta vs tors. theta energy: -162.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2012.091378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.091378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.091378 (E_RNA)
where:
Base-Base interactions energy: -1330.100
where: short stacking energy: -584.485
Base-Backbone interact. energy: -2.807
local terms energy: -679.184865
where:
bonds (distance) C4'-P energy: -120.697
bonds (distance) P-C4' energy: -141.062
flat angles C4'-P-C4' energy: -164.225
flat angles P-C4'-P energy: -83.724
tors. eta vs tors. theta energy: -169.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1858.121233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.121233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.121233 (E_RNA)
where:
Base-Base interactions energy: -1184.577
where: short stacking energy: -533.217
Base-Backbone interact. energy: -7.294
local terms energy: -666.250819
where:
bonds (distance) C4'-P energy: -132.208
bonds (distance) P-C4' energy: -154.497
flat angles C4'-P-C4' energy: -145.921
flat angles P-C4'-P energy: -98.398
tors. eta vs tors. theta energy: -135.226
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1761.444700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.444700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.444700 (E_RNA)
where:
Base-Base interactions energy: -1128.883
where: short stacking energy: -515.337
Base-Backbone interact. energy: -3.171
local terms energy: -629.390376
where:
bonds (distance) C4'-P energy: -144.971
bonds (distance) P-C4' energy: -145.240
flat angles C4'-P-C4' energy: -132.740
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -116.168
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: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1306.655753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.655753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.655753 (E_RNA)
where:
Base-Base interactions energy: -776.654
where: short stacking energy: -360.894
Base-Backbone interact. energy: -1.145
local terms energy: -528.857176
where:
bonds (distance) C4'-P energy: -131.218
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -134.834
flat angles P-C4'-P energy: -87.254
tors. eta vs tors. theta energy: -51.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1108.773635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.773635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.773635 (E_RNA)
where:
Base-Base interactions energy: -609.591
where: short stacking energy: -301.955
Base-Backbone interact. energy: 1.863
local terms energy: -501.045560
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -149.003
flat angles C4'-P-C4' energy: -115.510
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -35.549
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: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -722.266026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.266026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.266026 (E_RNA)
where:
Base-Base interactions energy: -339.984
where: short stacking energy: -225.317
Base-Backbone interact. energy: -0.233
local terms energy: -382.048828
where:
bonds (distance) C4'-P energy: -107.435
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -119.180
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: 15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2653.336132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.336132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.336132 (E_RNA)
where:
Base-Base interactions energy: -1827.106
where: short stacking energy: -760.402
Base-Backbone interact. energy: -2.890
local terms energy: -823.340294
where:
bonds (distance) C4'-P energy: -168.040
bonds (distance) P-C4' energy: -164.942
flat angles C4'-P-C4' energy: -166.767
flat angles P-C4'-P energy: -113.432
tors. eta vs tors. theta energy: -210.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2495.536478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.536478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.536478 (E_RNA)
where:
Base-Base interactions energy: -1664.625
where: short stacking energy: -759.589
Base-Backbone interact. energy: 1.491
local terms energy: -832.401964
where:
bonds (distance) C4'-P energy: -153.408
bonds (distance) P-C4' energy: -158.016
flat angles C4'-P-C4' energy: -182.839
flat angles P-C4'-P energy: -117.038
tors. eta vs tors. theta energy: -221.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2339.313268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.313268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.313268 (E_RNA)
where:
Base-Base interactions energy: -1547.834
where: short stacking energy: -667.661
Base-Backbone interact. energy: 2.248
local terms energy: -793.727809
where:
bonds (distance) C4'-P energy: -164.095
bonds (distance) P-C4' energy: -158.685
flat angles C4'-P-C4' energy: -167.480
flat angles P-C4'-P energy: -108.012
tors. eta vs tors. theta energy: -195.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2183.426984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.426984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.426984 (E_RNA)
where:
Base-Base interactions energy: -1444.413
where: short stacking energy: -641.357
Base-Backbone interact. energy: -3.431
local terms energy: -735.582408
where:
bonds (distance) C4'-P energy: -155.292
bonds (distance) P-C4' energy: -144.098
flat angles C4'-P-C4' energy: -154.929
flat angles P-C4'-P energy: -115.308
tors. eta vs tors. theta energy: -165.956
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: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2002.177601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.177601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.177601 (E_RNA)
where:
Base-Base interactions energy: -1323.255
where: short stacking energy: -582.997
Base-Backbone interact. energy: -0.637
local terms energy: -678.285584
where:
bonds (distance) C4'-P energy: -134.758
bonds (distance) P-C4' energy: -152.647
flat angles C4'-P-C4' energy: -152.405
flat angles P-C4'-P energy: -85.573
tors. eta vs tors. theta energy: -152.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1885.545605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.545605 (E_RNA)
where:
Base-Base interactions energy: -1238.411
where: short stacking energy: -539.995
Base-Backbone interact. energy: -0.951
local terms energy: -646.184025
where:
bonds (distance) C4'-P energy: -124.545
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -152.517
flat angles P-C4'-P energy: -93.750
tors. eta vs tors. theta energy: -129.289
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1801.577591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.577591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.577591 (E_RNA)
where:
Base-Base interactions energy: -1140.619
where: short stacking energy: -513.520
Base-Backbone interact. energy: -1.932
local terms energy: -659.026624
where:
bonds (distance) C4'-P energy: -142.960
bonds (distance) P-C4' energy: -142.860
flat angles C4'-P-C4' energy: -151.784
flat angles P-C4'-P energy: -96.131
tors. eta vs tors. theta energy: -125.292
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: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1342.665142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.665142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.665142 (E_RNA)
where:
Base-Base interactions energy: -817.201
where: short stacking energy: -369.672
Base-Backbone interact. energy: 1.554
local terms energy: -527.017663
where:
bonds (distance) C4'-P energy: -139.837
bonds (distance) P-C4' energy: -121.300
flat angles C4'-P-C4' energy: -136.599
flat angles P-C4'-P energy: -61.784
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: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1082.485932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.485932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.485932 (E_RNA)
where:
Base-Base interactions energy: -583.383
where: short stacking energy: -311.272
Base-Backbone interact. energy: 1.604
local terms energy: -500.707517
where:
bonds (distance) C4'-P energy: -139.728
bonds (distance) P-C4' energy: -127.590
flat angles C4'-P-C4' energy: -125.897
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -31.040
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: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -742.856027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.856027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.856027 (E_RNA)
where:
Base-Base interactions energy: -336.656
where: short stacking energy: -210.503
Base-Backbone interact. energy: -2.991
local terms energy: -403.209119
where:
bonds (distance) C4'-P energy: -120.389
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -112.987
flat angles P-C4'-P energy: -81.871
tors. eta vs tors. theta energy: 25.179
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2695.036351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.036351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.036351 (E_RNA)
where:
Base-Base interactions energy: -1826.554
where: short stacking energy: -771.402
Base-Backbone interact. energy: -4.952
local terms energy: -863.530052
where:
bonds (distance) C4'-P energy: -162.267
bonds (distance) P-C4' energy: -174.580
flat angles C4'-P-C4' energy: -186.909
flat angles P-C4'-P energy: -126.023
tors. eta vs tors. theta energy: -213.752
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: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2496.050701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.050701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.050701 (E_RNA)
where:
Base-Base interactions energy: -1650.170
where: short stacking energy: -745.582
Base-Backbone interact. energy: -3.983
local terms energy: -841.898128
where:
bonds (distance) C4'-P energy: -159.365
bonds (distance) P-C4' energy: -162.545
flat angles C4'-P-C4' energy: -185.642
flat angles P-C4'-P energy: -104.015
tors. eta vs tors. theta energy: -230.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2338.560188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.560188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.560188 (E_RNA)
where:
Base-Base interactions energy: -1549.314
where: short stacking energy: -681.388
Base-Backbone interact. energy: 2.878
local terms energy: -792.123735
where:
bonds (distance) C4'-P energy: -159.374
bonds (distance) P-C4' energy: -148.979
flat angles C4'-P-C4' energy: -172.314
flat angles P-C4'-P energy: -104.483
tors. eta vs tors. theta energy: -206.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2224.462856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.462856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.462856 (E_RNA)
where:
Base-Base interactions energy: -1453.023
where: short stacking energy: -647.004
Base-Backbone interact. energy: -1.488
local terms energy: -769.951299
where:
bonds (distance) C4'-P energy: -156.618
bonds (distance) P-C4' energy: -157.669
flat angles C4'-P-C4' energy: -160.239
flat angles P-C4'-P energy: -112.978
tors. eta vs tors. theta energy: -182.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1977.080186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.080186 (E_RNA)
where:
Base-Base interactions energy: -1252.332
where: short stacking energy: -555.966
Base-Backbone interact. energy: -0.724
local terms energy: -724.023946
where:
bonds (distance) C4'-P energy: -151.357
bonds (distance) P-C4' energy: -153.348
flat angles C4'-P-C4' energy: -164.533
flat angles P-C4'-P energy: -109.841
tors. eta vs tors. theta energy: -144.945
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: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1863.091739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.091739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.091739 (E_RNA)
where:
Base-Base interactions energy: -1212.818
where: short stacking energy: -568.670
Base-Backbone interact. energy: -0.980
local terms energy: -649.293335
where:
bonds (distance) C4'-P energy: -133.654
bonds (distance) P-C4' energy: -137.449
flat angles C4'-P-C4' energy: -152.925
flat angles P-C4'-P energy: -81.607
tors. eta vs tors. theta energy: -143.658
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: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1708.430247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.430247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.430247 (E_RNA)
where:
Base-Base interactions energy: -1087.941
where: short stacking energy: -494.325
Base-Backbone interact. energy: -2.424
local terms energy: -618.065121
where:
bonds (distance) C4'-P energy: -119.849
bonds (distance) P-C4' energy: -152.178
flat angles C4'-P-C4' energy: -141.140
flat angles P-C4'-P energy: -85.521
tors. eta vs tors. theta energy: -119.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1296.628025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.628025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.628025 (E_RNA)
where:
Base-Base interactions energy: -772.991
where: short stacking energy: -368.944
Base-Backbone interact. energy: 3.293
local terms energy: -526.930260
where:
bonds (distance) C4'-P energy: -150.944
bonds (distance) P-C4' energy: -140.010
flat angles C4'-P-C4' energy: -125.028
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -44.709
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: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1068.242061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.242061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.242061 (E_RNA)
where:
Base-Base interactions energy: -605.883
where: short stacking energy: -324.659
Base-Backbone interact. energy: 3.110
local terms energy: -465.468853
where:
bonds (distance) C4'-P energy: -134.618
bonds (distance) P-C4' energy: -146.825
flat angles C4'-P-C4' energy: -110.753
flat angles P-C4'-P energy: -50.489
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -766.006528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.006528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.006528 (E_RNA)
where:
Base-Base interactions energy: -333.360
where: short stacking energy: -201.324
Base-Backbone interact. energy: -0.487
local terms energy: -432.159380
where:
bonds (distance) C4'-P energy: -139.580
bonds (distance) P-C4' energy: -127.211
flat angles C4'-P-C4' energy: -111.556
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: 5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2686.908512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.908512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.908512 (E_RNA)
where:
Base-Base interactions energy: -1858.610
where: short stacking energy: -795.495
Base-Backbone interact. energy: -2.039
local terms energy: -826.260016
where:
bonds (distance) C4'-P energy: -162.759
bonds (distance) P-C4' energy: -156.810
flat angles C4'-P-C4' energy: -175.611
flat angles P-C4'-P energy: -113.416
tors. eta vs tors. theta energy: -217.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2546.815096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.815096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.815096 (E_RNA)
where:
Base-Base interactions energy: -1683.946
where: short stacking energy: -753.000
Base-Backbone interact. energy: -3.691
local terms energy: -859.178401
where:
bonds (distance) C4'-P energy: -170.047
bonds (distance) P-C4' energy: -156.025
flat angles C4'-P-C4' energy: -179.453
flat angles P-C4'-P energy: -131.128
tors. eta vs tors. theta energy: -222.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2332.280897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.280897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.280897 (E_RNA)
where:
Base-Base interactions energy: -1533.046
where: short stacking energy: -699.520
Base-Backbone interact. energy: -1.591
local terms energy: -797.643910
where:
bonds (distance) C4'-P energy: -158.191
bonds (distance) P-C4' energy: -156.065
flat angles C4'-P-C4' energy: -161.852
flat angles P-C4'-P energy: -114.573
tors. eta vs tors. theta energy: -206.963
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: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2214.713794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.713794 (E_RNA)
where:
Base-Base interactions energy: -1482.337
where: short stacking energy: -637.357
Base-Backbone interact. energy: -2.529
local terms energy: -729.847377
where:
bonds (distance) C4'-P energy: -155.743
bonds (distance) P-C4' energy: -149.228
flat angles C4'-P-C4' energy: -159.998
flat angles P-C4'-P energy: -86.580
tors. eta vs tors. theta energy: -178.298
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: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2010.058762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.058762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.058762 (E_RNA)
where:
Base-Base interactions energy: -1298.904
where: short stacking energy: -603.898
Base-Backbone interact. energy: 2.327
local terms energy: -713.481409
where:
bonds (distance) C4'-P energy: -139.787
bonds (distance) P-C4' energy: -139.371
flat angles C4'-P-C4' energy: -155.403
flat angles P-C4'-P energy: -106.411
tors. eta vs tors. theta energy: -172.509
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1932.141297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.141297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.141297 (E_RNA)
where:
Base-Base interactions energy: -1266.076
where: short stacking energy: -545.238
Base-Backbone interact. energy: 3.199
local terms energy: -669.263983
where:
bonds (distance) C4'-P energy: -134.362
bonds (distance) P-C4' energy: -136.640
flat angles C4'-P-C4' energy: -164.206
flat angles P-C4'-P energy: -82.568
tors. eta vs tors. theta energy: -151.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1717.524208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.524208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.524208 (E_RNA)
where:
Base-Base interactions energy: -1081.550
where: short stacking energy: -508.258
Base-Backbone interact. energy: 2.247
local terms energy: -638.220785
where:
bonds (distance) C4'-P energy: -139.346
bonds (distance) P-C4' energy: -144.356
flat angles C4'-P-C4' energy: -151.150
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -116.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1225.212748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.212748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.212748 (E_RNA)
where:
Base-Base interactions energy: -694.271
where: short stacking energy: -343.464
Base-Backbone interact. energy: 0.759
local terms energy: -531.701496
where:
bonds (distance) C4'-P energy: -132.453
bonds (distance) P-C4' energy: -135.742
flat angles C4'-P-C4' energy: -131.010
flat angles P-C4'-P energy: -77.244
tors. eta vs tors. theta energy: -55.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1124.579876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.579876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.579876 (E_RNA)
where:
Base-Base interactions energy: -674.432
where: short stacking energy: -347.165
Base-Backbone interact. energy: 0.716
local terms energy: -450.863862
where:
bonds (distance) C4'-P energy: -92.677
bonds (distance) P-C4' energy: -139.506
flat angles C4'-P-C4' energy: -131.490
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -32.964
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: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -723.087657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.087657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.087657 (E_RNA)
where:
Base-Base interactions energy: -314.604
where: short stacking energy: -176.031
Base-Backbone interact. energy: 4.631
local terms energy: -413.114617
where:
bonds (distance) C4'-P energy: -108.757
bonds (distance) P-C4' energy: -145.662
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: 11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2695.956856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.956856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.956856 (E_RNA)
where:
Base-Base interactions energy: -1859.631
where: short stacking energy: -753.292
Base-Backbone interact. energy: -1.616
local terms energy: -834.710315
where:
bonds (distance) C4'-P energy: -154.043
bonds (distance) P-C4' energy: -174.055
flat angles C4'-P-C4' energy: -175.070
flat angles P-C4'-P energy: -125.976
tors. eta vs tors. theta energy: -205.566
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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2538.569202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.569202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.569202 (E_RNA)
where:
Base-Base interactions energy: -1730.902
where: short stacking energy: -777.400
Base-Backbone interact. energy: -3.582
local terms energy: -804.084999
where:
bonds (distance) C4'-P energy: -151.411
bonds (distance) P-C4' energy: -143.524
flat angles C4'-P-C4' energy: -172.508
flat angles P-C4'-P energy: -107.118
tors. eta vs tors. theta energy: -229.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2350.653268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.653268 (E_RNA)
where:
Base-Base interactions energy: -1556.259
where: short stacking energy: -698.711
Base-Backbone interact. energy: -3.254
local terms energy: -791.140278
where:
bonds (distance) C4'-P energy: -147.973
bonds (distance) P-C4' energy: -158.392
flat angles C4'-P-C4' energy: -170.298
flat angles P-C4'-P energy: -103.183
tors. eta vs tors. theta energy: -211.294
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: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2203.471922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.471922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.471922 (E_RNA)
where:
Base-Base interactions energy: -1452.889
where: short stacking energy: -664.441
Base-Backbone interact. energy: 2.313
local terms energy: -752.895899
where:
bonds (distance) C4'-P energy: -132.382
bonds (distance) P-C4' energy: -147.348
flat angles C4'-P-C4' energy: -182.592
flat angles P-C4'-P energy: -111.810
tors. eta vs tors. theta energy: -178.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1992.752601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.752601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.752601 (E_RNA)
where:
Base-Base interactions energy: -1323.873
where: short stacking energy: -581.845
Base-Backbone interact. energy: -3.686
local terms energy: -665.194156
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -140.553
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -105.287
tors. eta vs tors. theta energy: -154.703
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: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1919.176047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.176047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.176047 (E_RNA)
where:
Base-Base interactions energy: -1229.764
where: short stacking energy: -547.224
Base-Backbone interact. energy: 2.651
local terms energy: -692.062897
where:
bonds (distance) C4'-P energy: -138.588
bonds (distance) P-C4' energy: -144.126
flat angles C4'-P-C4' energy: -143.255
flat angles P-C4'-P energy: -109.542
tors. eta vs tors. theta energy: -156.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1750.867562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.867562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.867562 (E_RNA)
where:
Base-Base interactions energy: -1109.835
where: short stacking energy: -522.476
Base-Backbone interact. energy: -2.448
local terms energy: -638.584756
where:
bonds (distance) C4'-P energy: -137.799
bonds (distance) P-C4' energy: -164.843
flat angles C4'-P-C4' energy: -127.158
flat angles P-C4'-P energy: -82.062
tors. eta vs tors. theta energy: -126.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1247.474642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.474642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.474642 (E_RNA)
where:
Base-Base interactions energy: -705.512
where: short stacking energy: -350.763
Base-Backbone interact. energy: -2.287
local terms energy: -539.675640
where:
bonds (distance) C4'-P energy: -143.138
bonds (distance) P-C4' energy: -137.490
flat angles C4'-P-C4' energy: -124.975
flat angles P-C4'-P energy: -85.082
tors. eta vs tors. theta energy: -48.990
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: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1141.242540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.242540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.242540 (E_RNA)
where:
Base-Base interactions energy: -650.794
where: short stacking energy: -314.517
Base-Backbone interact. energy: 3.088
local terms energy: -493.537040
where:
bonds (distance) C4'-P energy: -112.859
bonds (distance) P-C4' energy: -146.232
flat angles C4'-P-C4' energy: -129.536
flat angles P-C4'-P energy: -60.956
tors. eta vs tors. theta energy: -43.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -831.263960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.263960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.263960 (E_RNA)
where:
Base-Base interactions energy: -407.874
where: short stacking energy: -220.010
Base-Backbone interact. energy: 4.929
local terms energy: -428.318285
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -138.072
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -67.305
tors. eta vs tors. theta energy: 14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2706.480037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.480037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.480037 (E_RNA)
where:
Base-Base interactions energy: -1855.655
where: short stacking energy: -781.553
Base-Backbone interact. energy: -4.839
local terms energy: -845.985941
where:
bonds (distance) C4'-P energy: -165.383
bonds (distance) P-C4' energy: -166.367
flat angles C4'-P-C4' energy: -176.668
flat angles P-C4'-P energy: -119.452
tors. eta vs tors. theta energy: -218.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2532.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.918538 (E_RNA)
where:
Base-Base interactions energy: -1724.837
where: short stacking energy: -759.550
Base-Backbone interact. energy: -1.061
local terms energy: -807.020568
where:
bonds (distance) C4'-P energy: -134.974
bonds (distance) P-C4' energy: -165.236
flat angles C4'-P-C4' energy: -176.752
flat angles P-C4'-P energy: -116.915
tors. eta vs tors. theta energy: -213.144
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2321.740988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.740988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.740988 (E_RNA)
where:
Base-Base interactions energy: -1537.933
where: short stacking energy: -675.856
Base-Backbone interact. energy: 2.471
local terms energy: -786.279554
where:
bonds (distance) C4'-P energy: -145.794
bonds (distance) P-C4' energy: -167.556
flat angles C4'-P-C4' energy: -172.837
flat angles P-C4'-P energy: -101.121
tors. eta vs tors. theta energy: -198.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2240.230148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.230148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.230148 (E_RNA)
where:
Base-Base interactions energy: -1499.269
where: short stacking energy: -652.134
Base-Backbone interact. energy: -2.121
local terms energy: -738.840937
where:
bonds (distance) C4'-P energy: -143.817
bonds (distance) P-C4' energy: -133.797
flat angles C4'-P-C4' energy: -174.087
flat angles P-C4'-P energy: -113.185
tors. eta vs tors. theta energy: -173.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2005.056932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.056932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.056932 (E_RNA)
where:
Base-Base interactions energy: -1305.855
where: short stacking energy: -578.698
Base-Backbone interact. energy: 1.274
local terms energy: -700.475862
where:
bonds (distance) C4'-P energy: -133.940
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -168.592
flat angles P-C4'-P energy: -105.510
tors. eta vs tors. theta energy: -150.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1978.176577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.176577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.176577 (E_RNA)
where:
Base-Base interactions energy: -1300.190
where: short stacking energy: -592.126
Base-Backbone interact. energy: -0.260
local terms energy: -677.725966
where:
bonds (distance) C4'-P energy: -144.753
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -161.078
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -156.887
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: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1779.628783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.628783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.628783 (E_RNA)
where:
Base-Base interactions energy: -1129.026
where: short stacking energy: -523.158
Base-Backbone interact. energy: -3.593
local terms energy: -647.009406
where:
bonds (distance) C4'-P energy: -143.644
bonds (distance) P-C4' energy: -148.431
flat angles C4'-P-C4' energy: -135.697
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -124.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1256.868642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.868642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.868642 (E_RNA)
where:
Base-Base interactions energy: -717.933
where: short stacking energy: -354.825
Base-Backbone interact. energy: -1.791
local terms energy: -537.144803
where:
bonds (distance) C4'-P energy: -147.693
bonds (distance) P-C4' energy: -130.610
flat angles C4'-P-C4' energy: -135.915
flat angles P-C4'-P energy: -72.923
tors. eta vs tors. theta energy: -50.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1127.787223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.787223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.787223 (E_RNA)
where:
Base-Base interactions energy: -656.606
where: short stacking energy: -322.961
Base-Backbone interact. energy: 2.670
local terms energy: -473.851052
where:
bonds (distance) C4'-P energy: -122.810
bonds (distance) P-C4' energy: -124.794
flat angles C4'-P-C4' energy: -136.359
flat angles P-C4'-P energy: -65.217
tors. eta vs tors. theta energy: -24.671
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: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -860.880864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.880864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.880864 (E_RNA)
where:
Base-Base interactions energy: -435.052
where: short stacking energy: -247.143
Base-Backbone interact. energy: 4.499
local terms energy: -430.327452
where:
bonds (distance) C4'-P energy: -124.396
bonds (distance) P-C4' energy: -125.917
flat angles C4'-P-C4' energy: -112.370
flat angles P-C4'-P energy: -60.459
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2695.804014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.804014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.804014 (E_RNA)
where:
Base-Base interactions energy: -1870.827
where: short stacking energy: -778.366
Base-Backbone interact. energy: -3.347
local terms energy: -821.629983
where:
bonds (distance) C4'-P energy: -153.402
bonds (distance) P-C4' energy: -159.777
flat angles C4'-P-C4' energy: -180.862
flat angles P-C4'-P energy: -106.429
tors. eta vs tors. theta energy: -221.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2545.158024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.158024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.158024 (E_RNA)
where:
Base-Base interactions energy: -1710.316
where: short stacking energy: -763.768
Base-Backbone interact. energy: -1.910
local terms energy: -832.932393
where:
bonds (distance) C4'-P energy: -165.777
bonds (distance) P-C4' energy: -165.636
flat angles C4'-P-C4' energy: -169.441
flat angles P-C4'-P energy: -106.906
tors. eta vs tors. theta energy: -225.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2372.195768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.195768 (E_RNA)
where:
Base-Base interactions energy: -1598.536
where: short stacking energy: -735.244
Base-Backbone interact. energy: 1.074
local terms energy: -774.733772
where:
bonds (distance) C4'-P energy: -146.637
bonds (distance) P-C4' energy: -151.745
flat angles C4'-P-C4' energy: -164.660
flat angles P-C4'-P energy: -109.820
tors. eta vs tors. theta energy: -201.871
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2257.123928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.123928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.123928 (E_RNA)
where:
Base-Base interactions energy: -1513.450
where: short stacking energy: -668.702
Base-Backbone interact. energy: -0.811
local terms energy: -742.863286
where:
bonds (distance) C4'-P energy: -147.180
bonds (distance) P-C4' energy: -145.086
flat angles C4'-P-C4' energy: -154.511
flat angles P-C4'-P energy: -112.080
tors. eta vs tors. theta energy: -184.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2121.067471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.067471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.067471 (E_RNA)
where:
Base-Base interactions energy: -1398.747
where: short stacking energy: -642.381
Base-Backbone interact. energy: 0.862
local terms energy: -723.182826
where:
bonds (distance) C4'-P energy: -139.265
bonds (distance) P-C4' energy: -147.165
flat angles C4'-P-C4' energy: -169.045
flat angles P-C4'-P energy: -85.432
tors. eta vs tors. theta energy: -182.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1897.026469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.026469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.026469 (E_RNA)
where:
Base-Base interactions energy: -1203.167
where: short stacking energy: -537.475
Base-Backbone interact. energy: -1.460
local terms energy: -692.399680
where:
bonds (distance) C4'-P energy: -152.492
bonds (distance) P-C4' energy: -137.251
flat angles C4'-P-C4' energy: -159.271
flat angles P-C4'-P energy: -101.881
tors. eta vs tors. theta energy: -141.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1785.188693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.188693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.188693 (E_RNA)
where:
Base-Base interactions energy: -1139.776
where: short stacking energy: -519.801
Base-Backbone interact. energy: -0.728
local terms energy: -644.685265
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -148.781
flat angles C4'-P-C4' energy: -148.866
flat angles P-C4'-P energy: -99.017
tors. eta vs tors. theta energy: -116.775
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: 156
Temperature: 1.250000
Total energy: -1322.075323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.075323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.075323 (E_RNA)
where:
Base-Base interactions energy: -769.621
where: short stacking energy: -338.233
Base-Backbone interact. energy: 0.611
local terms energy: -553.065504
where:
bonds (distance) C4'-P energy: -143.823
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -145.169
flat angles P-C4'-P energy: -82.501
tors. eta vs tors. theta energy: -49.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1076.415345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.415345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.415345 (E_RNA)
where:
Base-Base interactions energy: -594.106
where: short stacking energy: -285.980
Base-Backbone interact. energy: -1.357
local terms energy: -480.952668
where:
bonds (distance) C4'-P energy: -143.457
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -113.856
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -845.065597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.065597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.065597 (E_RNA)
where:
Base-Base interactions energy: -401.238
where: short stacking energy: -223.821
Base-Backbone interact. energy: 1.480
local terms energy: -445.307159
where:
bonds (distance) C4'-P energy: -125.618
bonds (distance) P-C4' energy: -159.954
flat angles C4'-P-C4' energy: -97.714
flat angles P-C4'-P energy: -61.781
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2693.127147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.127147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.127147 (E_RNA)
where:
Base-Base interactions energy: -1851.819
where: short stacking energy: -775.343
Base-Backbone interact. energy: -2.763
local terms energy: -838.545120
where:
bonds (distance) C4'-P energy: -140.282
bonds (distance) P-C4' energy: -157.705
flat angles C4'-P-C4' energy: -181.001
flat angles P-C4'-P energy: -132.491
tors. eta vs tors. theta energy: -227.065
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2571.703449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.703449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.703449 (E_RNA)
where:
Base-Base interactions energy: -1714.699
where: short stacking energy: -749.256
Base-Backbone interact. energy: 0.211
local terms energy: -857.215587
where:
bonds (distance) C4'-P energy: -156.720
bonds (distance) P-C4' energy: -168.357
flat angles C4'-P-C4' energy: -181.007
flat angles P-C4'-P energy: -120.954
tors. eta vs tors. theta energy: -230.178
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: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2354.163668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.163668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.163668 (E_RNA)
where:
Base-Base interactions energy: -1566.635
where: short stacking energy: -685.870
Base-Backbone interact. energy: 0.278
local terms energy: -787.806630
where:
bonds (distance) C4'-P energy: -137.901
bonds (distance) P-C4' energy: -174.965
flat angles C4'-P-C4' energy: -168.223
flat angles P-C4'-P energy: -111.599
tors. eta vs tors. theta energy: -195.119
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2301.737696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.737696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.737696 (E_RNA)
where:
Base-Base interactions energy: -1531.176
where: short stacking energy: -671.045
Base-Backbone interact. energy: -2.716
local terms energy: -767.845085
where:
bonds (distance) C4'-P energy: -149.565
bonds (distance) P-C4' energy: -139.407
flat angles C4'-P-C4' energy: -168.323
flat angles P-C4'-P energy: -113.279
tors. eta vs tors. theta energy: -197.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2075.990486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.990486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.990486 (E_RNA)
where:
Base-Base interactions energy: -1349.809
where: short stacking energy: -604.411
Base-Backbone interact. energy: 1.852
local terms energy: -728.033432
where:
bonds (distance) C4'-P energy: -144.547
bonds (distance) P-C4' energy: -153.003
flat angles C4'-P-C4' energy: -156.957
flat angles P-C4'-P energy: -98.653
tors. eta vs tors. theta energy: -174.873
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: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1949.067041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.067041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.067041 (E_RNA)
where:
Base-Base interactions energy: -1244.227
where: short stacking energy: -565.565
Base-Backbone interact. energy: -2.691
local terms energy: -702.149604
where:
bonds (distance) C4'-P energy: -125.430
bonds (distance) P-C4' energy: -157.315
flat angles C4'-P-C4' energy: -162.124
flat angles P-C4'-P energy: -95.430
tors. eta vs tors. theta energy: -161.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1801.018345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.018345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.018345 (E_RNA)
where:
Base-Base interactions energy: -1128.626
where: short stacking energy: -482.429
Base-Backbone interact. energy: -4.489
local terms energy: -667.902772
where:
bonds (distance) C4'-P energy: -134.789
bonds (distance) P-C4' energy: -159.049
flat angles C4'-P-C4' energy: -150.119
flat angles P-C4'-P energy: -108.496
tors. eta vs tors. theta energy: -115.450
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: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1326.937457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.937457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.937457 (E_RNA)
where:
Base-Base interactions energy: -793.210
where: short stacking energy: -396.542
Base-Backbone interact. energy: -2.337
local terms energy: -531.390374
where:
bonds (distance) C4'-P energy: -104.390
bonds (distance) P-C4' energy: -129.511
flat angles C4'-P-C4' energy: -154.077
flat angles P-C4'-P energy: -74.322
tors. eta vs tors. theta energy: -69.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1097.511302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.511302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.511302 (E_RNA)
where:
Base-Base interactions energy: -614.219
where: short stacking energy: -298.592
Base-Backbone interact. energy: -1.385
local terms energy: -481.907770
where:
bonds (distance) C4'-P energy: -116.680
bonds (distance) P-C4' energy: -131.016
flat angles C4'-P-C4' energy: -119.621
flat angles P-C4'-P energy: -90.419
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -841.497920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.497920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.497920 (E_RNA)
where:
Base-Base interactions energy: -389.549
where: short stacking energy: -208.668
Base-Backbone interact. energy: -3.342
local terms energy: -448.606934
where:
bonds (distance) C4'-P energy: -132.086
bonds (distance) P-C4' energy: -134.824
flat angles C4'-P-C4' energy: -120.358
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: 16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2663.920621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.920621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.920621 (E_RNA)
where:
Base-Base interactions energy: -1837.041
where: short stacking energy: -781.561
Base-Backbone interact. energy: -1.252
local terms energy: -825.627337
where:
bonds (distance) C4'-P energy: -147.453
bonds (distance) P-C4' energy: -163.814
flat angles C4'-P-C4' energy: -174.673
flat angles P-C4'-P energy: -121.674
tors. eta vs tors. theta energy: -218.014
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: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2554.084989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.084989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.084989 (E_RNA)
where:
Base-Base interactions energy: -1756.372
where: short stacking energy: -773.081
Base-Backbone interact. energy: -2.752
local terms energy: -794.960873
where:
bonds (distance) C4'-P energy: -143.023
bonds (distance) P-C4' energy: -141.522
flat angles C4'-P-C4' energy: -172.134
flat angles P-C4'-P energy: -118.555
tors. eta vs tors. theta energy: -219.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2401.455596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.455596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.455596 (E_RNA)
where:
Base-Base interactions energy: -1610.173
where: short stacking energy: -735.443
Base-Backbone interact. energy: -4.056
local terms energy: -787.226714
where:
bonds (distance) C4'-P energy: -141.588
bonds (distance) P-C4' energy: -156.183
flat angles C4'-P-C4' energy: -176.359
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -202.592
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: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2248.018878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.018878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.018878 (E_RNA)
where:
Base-Base interactions energy: -1507.079
where: short stacking energy: -655.888
Base-Backbone interact. energy: -3.116
local terms energy: -737.823488
where:
bonds (distance) C4'-P energy: -133.335
bonds (distance) P-C4' energy: -132.862
flat angles C4'-P-C4' energy: -164.294
flat angles P-C4'-P energy: -118.379
tors. eta vs tors. theta energy: -188.953
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: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2078.162536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.162536 (E_RNA)
where:
Base-Base interactions energy: -1367.106
where: short stacking energy: -615.390
Base-Backbone interact. energy: -3.013
local terms energy: -708.044078
where:
bonds (distance) C4'-P energy: -153.474
bonds (distance) P-C4' energy: -153.241
flat angles C4'-P-C4' energy: -157.566
flat angles P-C4'-P energy: -87.097
tors. eta vs tors. theta energy: -156.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1873.411881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.411881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.411881 (E_RNA)
where:
Base-Base interactions energy: -1211.481
where: short stacking energy: -521.977
Base-Backbone interact. energy: -2.622
local terms energy: -659.309406
where:
bonds (distance) C4'-P energy: -139.118
bonds (distance) P-C4' energy: -141.635
flat angles C4'-P-C4' energy: -141.964
flat angles P-C4'-P energy: -95.153
tors. eta vs tors. theta energy: -141.440
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: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1773.067414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.067414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.067414 (E_RNA)
where:
Base-Base interactions energy: -1140.815
where: short stacking energy: -524.966
Base-Backbone interact. energy: -0.315
local terms energy: -631.936869
where:
bonds (distance) C4'-P energy: -152.122
bonds (distance) P-C4' energy: -139.492
flat angles C4'-P-C4' energy: -138.451
flat angles P-C4'-P energy: -85.057
tors. eta vs tors. theta energy: -116.815
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1305.120249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.120249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.120249 (E_RNA)
where:
Base-Base interactions energy: -756.266
where: short stacking energy: -361.393
Base-Backbone interact. energy: -1.240
local terms energy: -547.613981
where:
bonds (distance) C4'-P energy: -135.131
bonds (distance) P-C4' energy: -126.392
flat angles C4'-P-C4' energy: -128.862
flat angles P-C4'-P energy: -91.374
tors. eta vs tors. theta energy: -65.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1136.261611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.261611 (E_RNA)
where:
Base-Base interactions energy: -625.088
where: short stacking energy: -292.785
Base-Backbone interact. energy: 3.002
local terms energy: -514.175294
where:
bonds (distance) C4'-P energy: -121.700
bonds (distance) P-C4' energy: -151.611
flat angles C4'-P-C4' energy: -131.475
flat angles P-C4'-P energy: -77.622
tors. eta vs tors. theta energy: -31.768
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -932.523664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.523664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.523664 (E_RNA)
where:
Base-Base interactions energy: -466.775
where: short stacking energy: -244.320
Base-Backbone interact. energy: 0.250
local terms energy: -465.999187
where:
bonds (distance) C4'-P energy: -134.715
bonds (distance) P-C4' energy: -129.536
flat angles C4'-P-C4' energy: -117.176
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -11.026
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: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2681.381906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.381906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.381906 (E_RNA)
where:
Base-Base interactions energy: -1858.852
where: short stacking energy: -769.326
Base-Backbone interact. energy: -3.325
local terms energy: -819.204701
where:
bonds (distance) C4'-P energy: -158.242
bonds (distance) P-C4' energy: -149.806
flat angles C4'-P-C4' energy: -181.406
flat angles P-C4'-P energy: -101.300
tors. eta vs tors. theta energy: -228.451
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: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2564.832112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.832112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.832112 (E_RNA)
where:
Base-Base interactions energy: -1724.843
where: short stacking energy: -763.302
Base-Backbone interact. energy: -2.029
local terms energy: -837.960270
where:
bonds (distance) C4'-P energy: -152.141
bonds (distance) P-C4' energy: -155.734
flat angles C4'-P-C4' energy: -178.046
flat angles P-C4'-P energy: -120.000
tors. eta vs tors. theta energy: -232.039
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2366.839952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.839952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.839952 (E_RNA)
where:
Base-Base interactions energy: -1601.265
where: short stacking energy: -678.636
Base-Backbone interact. energy: -2.903
local terms energy: -762.672504
where:
bonds (distance) C4'-P energy: -156.853
bonds (distance) P-C4' energy: -153.276
flat angles C4'-P-C4' energy: -170.952
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -182.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2183.667315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.667315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.667315 (E_RNA)
where:
Base-Base interactions energy: -1461.537
where: short stacking energy: -627.386
Base-Backbone interact. energy: -2.602
local terms energy: -719.528785
where:
bonds (distance) C4'-P energy: -116.086
bonds (distance) P-C4' energy: -141.453
flat angles C4'-P-C4' energy: -170.279
flat angles P-C4'-P energy: -117.573
tors. eta vs tors. theta energy: -174.138
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: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2097.973645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.973645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.973645 (E_RNA)
where:
Base-Base interactions energy: -1362.146
where: short stacking energy: -607.352
Base-Backbone interact. energy: 3.469
local terms energy: -739.296505
where:
bonds (distance) C4'-P energy: -132.240
bonds (distance) P-C4' energy: -168.209
flat angles C4'-P-C4' energy: -165.161
flat angles P-C4'-P energy: -104.909
tors. eta vs tors. theta energy: -168.778
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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1841.407726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.407726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.407726 (E_RNA)
where:
Base-Base interactions energy: -1188.307
where: short stacking energy: -525.023
Base-Backbone interact. energy: 3.041
local terms energy: -656.142615
where:
bonds (distance) C4'-P energy: -146.897
bonds (distance) P-C4' energy: -136.211
flat angles C4'-P-C4' energy: -157.221
flat angles P-C4'-P energy: -91.112
tors. eta vs tors. theta energy: -124.701
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1810.007942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.007942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.007942 (E_RNA)
where:
Base-Base interactions energy: -1191.878
where: short stacking energy: -523.613
Base-Backbone interact. energy: -1.603
local terms energy: -616.526557
where:
bonds (distance) C4'-P energy: -118.240
bonds (distance) P-C4' energy: -135.459
flat angles C4'-P-C4' energy: -153.812
flat angles P-C4'-P energy: -91.125
tors. eta vs tors. theta energy: -117.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1314.151859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.151859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.151859 (E_RNA)
where:
Base-Base interactions energy: -791.489
where: short stacking energy: -358.853
Base-Backbone interact. energy: -2.519
local terms energy: -520.144041
where:
bonds (distance) C4'-P energy: -130.045
bonds (distance) P-C4' energy: -118.613
flat angles C4'-P-C4' energy: -143.991
flat angles P-C4'-P energy: -80.382
tors. eta vs tors. theta energy: -47.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1064.410436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.410436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.410436 (E_RNA)
where:
Base-Base interactions energy: -594.121
where: short stacking energy: -254.566
Base-Backbone interact. energy: 0.543
local terms energy: -470.832335
where:
bonds (distance) C4'-P energy: -109.900
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -128.011
flat angles P-C4'-P energy: -79.845
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -959.917968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.917968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.917968 (E_RNA)
where:
Base-Base interactions energy: -505.726
where: short stacking energy: -272.062
Base-Backbone interact. energy: 1.024
local terms energy: -455.215839
where:
bonds (distance) C4'-P energy: -126.811
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -116.775
flat angles P-C4'-P energy: -62.372
tors. eta vs tors. theta energy: -18.416
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: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2714.989363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.989363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.989363 (E_RNA)
where:
Base-Base interactions energy: -1869.458
where: short stacking energy: -764.805
Base-Backbone interact. energy: 0.582
local terms energy: -846.112580
where:
bonds (distance) C4'-P energy: -151.009
bonds (distance) P-C4' energy: -163.447
flat angles C4'-P-C4' energy: -182.299
flat angles P-C4'-P energy: -124.871
tors. eta vs tors. theta energy: -224.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2559.169294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.169294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.169294 (E_RNA)
where:
Base-Base interactions energy: -1723.369
where: short stacking energy: -770.907
Base-Backbone interact. energy: 1.910
local terms energy: -837.710152
where:
bonds (distance) C4'-P energy: -148.396
bonds (distance) P-C4' energy: -163.136
flat angles C4'-P-C4' energy: -182.019
flat angles P-C4'-P energy: -118.348
tors. eta vs tors. theta energy: -225.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2424.135446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.135446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.135446 (E_RNA)
where:
Base-Base interactions energy: -1623.060
where: short stacking energy: -697.748
Base-Backbone interact. energy: 2.217
local terms energy: -803.293138
where:
bonds (distance) C4'-P energy: -167.142
bonds (distance) P-C4' energy: -151.535
flat angles C4'-P-C4' energy: -180.407
flat angles P-C4'-P energy: -111.183
tors. eta vs tors. theta energy: -193.026
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2195.151786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.151786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.151786 (E_RNA)
where:
Base-Base interactions energy: -1455.010
where: short stacking energy: -613.409
Base-Backbone interact. energy: -1.816
local terms energy: -738.325296
where:
bonds (distance) C4'-P energy: -146.220
bonds (distance) P-C4' energy: -157.746
flat angles C4'-P-C4' energy: -160.087
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -162.821
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: 160
Temperature: 1.100000
Total energy: -2108.806287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.806287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.806287 (E_RNA)
where:
Base-Base interactions energy: -1409.921
where: short stacking energy: -602.127
Base-Backbone interact. energy: -0.489
local terms energy: -698.396344
where:
bonds (distance) C4'-P energy: -132.738
bonds (distance) P-C4' energy: -152.421
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -97.001
tors. eta vs tors. theta energy: -154.116
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1861.687106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.687106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.687106 (E_RNA)
where:
Base-Base interactions energy: -1187.347
where: short stacking energy: -540.222
Base-Backbone interact. energy: -2.289
local terms energy: -672.051180
where:
bonds (distance) C4'-P energy: -141.370
bonds (distance) P-C4' energy: -149.117
flat angles C4'-P-C4' energy: -144.859
flat angles P-C4'-P energy: -93.802
tors. eta vs tors. theta energy: -142.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1776.028720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.028720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.028720 (E_RNA)
where:
Base-Base interactions energy: -1145.993
where: short stacking energy: -516.217
Base-Backbone interact. energy: -1.904
local terms energy: -628.131946
where:
bonds (distance) C4'-P energy: -121.844
bonds (distance) P-C4' energy: -141.092
flat angles C4'-P-C4' energy: -157.718
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -129.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1421.737960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.737960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.737960 (E_RNA)
where:
Base-Base interactions energy: -881.740
where: short stacking energy: -408.038
Base-Backbone interact. energy: 4.034
local terms energy: -544.032074
where:
bonds (distance) C4'-P energy: -140.471
bonds (distance) P-C4' energy: -129.379
flat angles C4'-P-C4' energy: -127.804
flat angles P-C4'-P energy: -75.216
tors. eta vs tors. theta energy: -71.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1091.816825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.816825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.816825 (E_RNA)
where:
Base-Base interactions energy: -603.360
where: short stacking energy: -313.762
Base-Backbone interact. energy: 2.203
local terms energy: -490.660335
where:
bonds (distance) C4'-P energy: -126.651
bonds (distance) P-C4' energy: -145.990
flat angles C4'-P-C4' energy: -113.960
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -916.121494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.121494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.121494 (E_RNA)
where:
Base-Base interactions energy: -471.250
where: short stacking energy: -234.753
Base-Backbone interact. energy: 1.038
local terms energy: -445.908864
where:
bonds (distance) C4'-P energy: -140.788
bonds (distance) P-C4' energy: -130.401
flat angles C4'-P-C4' energy: -119.928
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: 0.048
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: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2678.075784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.075784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.075784 (E_RNA)
where:
Base-Base interactions energy: -1830.251
where: short stacking energy: -799.466
Base-Backbone interact. energy: -2.574
local terms energy: -845.250696
where:
bonds (distance) C4'-P energy: -150.458
bonds (distance) P-C4' energy: -167.038
flat angles C4'-P-C4' energy: -188.931
flat angles P-C4'-P energy: -112.957
tors. eta vs tors. theta energy: -225.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2531.865859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.865859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.865859 (E_RNA)
where:
Base-Base interactions energy: -1693.118
where: short stacking energy: -740.655
Base-Backbone interact. energy: -1.709
local terms energy: -837.039137
where:
bonds (distance) C4'-P energy: -168.066
bonds (distance) P-C4' energy: -152.895
flat angles C4'-P-C4' energy: -177.046
flat angles P-C4'-P energy: -117.730
tors. eta vs tors. theta energy: -221.302
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: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2391.202397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.202397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.202397 (E_RNA)
where:
Base-Base interactions energy: -1623.819
where: short stacking energy: -721.303
Base-Backbone interact. energy: -2.356
local terms energy: -765.027291
where:
bonds (distance) C4'-P energy: -149.252
bonds (distance) P-C4' energy: -145.779
flat angles C4'-P-C4' energy: -161.675
flat angles P-C4'-P energy: -102.641
tors. eta vs tors. theta energy: -205.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2275.044466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.044466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.044466 (E_RNA)
where:
Base-Base interactions energy: -1530.465
where: short stacking energy: -647.015
Base-Backbone interact. energy: -0.644
local terms energy: -743.936061
where:
bonds (distance) C4'-P energy: -139.617
bonds (distance) P-C4' energy: -147.343
flat angles C4'-P-C4' energy: -176.234
flat angles P-C4'-P energy: -105.836
tors. eta vs tors. theta energy: -174.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2144.118954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.118954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.118954 (E_RNA)
where:
Base-Base interactions energy: -1394.128
where: short stacking energy: -621.556
Base-Backbone interact. energy: -3.891
local terms energy: -746.100026
where:
bonds (distance) C4'-P energy: -146.607
bonds (distance) P-C4' energy: -156.542
flat angles C4'-P-C4' energy: -167.928
flat angles P-C4'-P energy: -114.389
tors. eta vs tors. theta energy: -160.633
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1899.150283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.150283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.150283 (E_RNA)
where:
Base-Base interactions energy: -1241.284
where: short stacking energy: -557.426
Base-Backbone interact. energy: 2.033
local terms energy: -659.898786
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -136.877
flat angles C4'-P-C4' energy: -158.059
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -136.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1790.137575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.137575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.137575 (E_RNA)
where:
Base-Base interactions energy: -1145.318
where: short stacking energy: -483.728
Base-Backbone interact. energy: -1.667
local terms energy: -643.151696
where:
bonds (distance) C4'-P energy: -137.623
bonds (distance) P-C4' energy: -138.346
flat angles C4'-P-C4' energy: -157.692
flat angles P-C4'-P energy: -91.548
tors. eta vs tors. theta energy: -117.943
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: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1291.140231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.140231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.140231 (E_RNA)
where:
Base-Base interactions energy: -742.079
where: short stacking energy: -358.647
Base-Backbone interact. energy: -3.695
local terms energy: -545.366001
where:
bonds (distance) C4'-P energy: -145.508
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -118.397
flat angles P-C4'-P energy: -105.811
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1147.702178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.702178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.702178 (E_RNA)
where:
Base-Base interactions energy: -637.253
where: short stacking energy: -303.266
Base-Backbone interact. energy: -1.106
local terms energy: -509.343019
where:
bonds (distance) C4'-P energy: -142.094
bonds (distance) P-C4' energy: -135.750
flat angles C4'-P-C4' energy: -130.756
flat angles P-C4'-P energy: -69.392
tors. eta vs tors. theta energy: -31.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -919.840613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.840613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.840613 (E_RNA)
where:
Base-Base interactions energy: -479.455
where: short stacking energy: -265.918
Base-Backbone interact. energy: 5.719
local terms energy: -446.104784
where:
bonds (distance) C4'-P energy: -130.408
bonds (distance) P-C4' energy: -117.044
flat angles C4'-P-C4' energy: -115.318
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2691.441501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.441501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.441501 (E_RNA)
where:
Base-Base interactions energy: -1833.815
where: short stacking energy: -783.761
Base-Backbone interact. energy: -3.356
local terms energy: -854.270693
where:
bonds (distance) C4'-P energy: -157.310
bonds (distance) P-C4' energy: -159.125
flat angles C4'-P-C4' energy: -181.619
flat angles P-C4'-P energy: -126.221
tors. eta vs tors. theta energy: -229.996
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: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2562.661684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.661684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.661684 (E_RNA)
where:
Base-Base interactions energy: -1679.401
where: short stacking energy: -746.008
Base-Backbone interact. energy: -3.395
local terms energy: -879.866120
where:
bonds (distance) C4'-P energy: -157.396
bonds (distance) P-C4' energy: -174.226
flat angles C4'-P-C4' energy: -186.232
flat angles P-C4'-P energy: -133.492
tors. eta vs tors. theta energy: -228.519
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2395.954688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.954688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.954688 (E_RNA)
where:
Base-Base interactions energy: -1617.381
where: short stacking energy: -701.721
Base-Backbone interact. energy: -6.188
local terms energy: -772.385480
where:
bonds (distance) C4'-P energy: -141.157
bonds (distance) P-C4' energy: -152.251
flat angles C4'-P-C4' energy: -159.178
flat angles P-C4'-P energy: -127.822
tors. eta vs tors. theta energy: -191.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2253.004020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.004020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.004020 (E_RNA)
where:
Base-Base interactions energy: -1522.340
where: short stacking energy: -636.532
Base-Backbone interact. energy: -2.354
local terms energy: -728.310132
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -165.972
flat angles C4'-P-C4' energy: -155.326
flat angles P-C4'-P energy: -111.034
tors. eta vs tors. theta energy: -175.732
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2028.630941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.630941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.630941 (E_RNA)
where:
Base-Base interactions energy: -1326.156
where: short stacking energy: -595.612
Base-Backbone interact. energy: 1.307
local terms energy: -703.781533
where:
bonds (distance) C4'-P energy: -144.486
bonds (distance) P-C4' energy: -129.280
flat angles C4'-P-C4' energy: -175.056
flat angles P-C4'-P energy: -98.659
tors. eta vs tors. theta energy: -156.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1899.733477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.733477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.733477 (E_RNA)
where:
Base-Base interactions energy: -1233.538
where: short stacking energy: -551.637
Base-Backbone interact. energy: -3.506
local terms energy: -662.689495
where:
bonds (distance) C4'-P energy: -142.205
bonds (distance) P-C4' energy: -133.200
flat angles C4'-P-C4' energy: -148.464
flat angles P-C4'-P energy: -100.407
tors. eta vs tors. theta energy: -138.413
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: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1734.874718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.874718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.874718 (E_RNA)
where:
Base-Base interactions energy: -1123.174
where: short stacking energy: -497.910
Base-Backbone interact. energy: -0.665
local terms energy: -611.035331
where:
bonds (distance) C4'-P energy: -152.510
bonds (distance) P-C4' energy: -134.033
flat angles C4'-P-C4' energy: -129.343
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -120.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1313.999126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.999126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.999126 (E_RNA)
where:
Base-Base interactions energy: -814.365
where: short stacking energy: -364.522
Base-Backbone interact. energy: 2.499
local terms energy: -502.132878
where:
bonds (distance) C4'-P energy: -116.568
bonds (distance) P-C4' energy: -136.247
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -48.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1135.863508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.863508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.863508 (E_RNA)
where:
Base-Base interactions energy: -637.737
where: short stacking energy: -317.122
Base-Backbone interact. energy: 4.726
local terms energy: -502.852483
where:
bonds (distance) C4'-P energy: -131.184
bonds (distance) P-C4' energy: -139.721
flat angles C4'-P-C4' energy: -119.599
flat angles P-C4'-P energy: -72.919
tors. eta vs tors. theta energy: -39.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1020.813323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.813323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.813323 (E_RNA)
where:
Base-Base interactions energy: -547.495
where: short stacking energy: -287.166
Base-Backbone interact. energy: -1.680
local terms energy: -471.637958
where:
bonds (distance) C4'-P energy: -110.393
bonds (distance) P-C4' energy: -142.189
flat angles C4'-P-C4' energy: -133.697
flat angles P-C4'-P energy: -73.207
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2681.459958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.459958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.459958 (E_RNA)
where:
Base-Base interactions energy: -1833.697
where: short stacking energy: -764.430
Base-Backbone interact. energy: -4.509
local terms energy: -843.253998
where:
bonds (distance) C4'-P energy: -167.218
bonds (distance) P-C4' energy: -160.583
flat angles C4'-P-C4' energy: -176.072
flat angles P-C4'-P energy: -119.809
tors. eta vs tors. theta energy: -219.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2537.841329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.841329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.841329 (E_RNA)
where:
Base-Base interactions energy: -1691.621
where: short stacking energy: -763.250
Base-Backbone interact. energy: -1.121
local terms energy: -845.098919
where:
bonds (distance) C4'-P energy: -171.360
bonds (distance) P-C4' energy: -163.071
flat angles C4'-P-C4' energy: -182.546
flat angles P-C4'-P energy: -103.297
tors. eta vs tors. theta energy: -224.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2415.451089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.451089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.451089 (E_RNA)
where:
Base-Base interactions energy: -1594.767
where: short stacking energy: -721.233
Base-Backbone interact. energy: -3.284
local terms energy: -817.400608
where:
bonds (distance) C4'-P energy: -175.280
bonds (distance) P-C4' energy: -138.707
flat angles C4'-P-C4' energy: -189.266
flat angles P-C4'-P energy: -105.562
tors. eta vs tors. theta energy: -208.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2245.602786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.602786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.602786 (E_RNA)
where:
Base-Base interactions energy: -1544.429
where: short stacking energy: -662.195
Base-Backbone interact. energy: 0.346
local terms energy: -701.519806
where:
bonds (distance) C4'-P energy: -127.941
bonds (distance) P-C4' energy: -136.546
flat angles C4'-P-C4' energy: -158.935
flat angles P-C4'-P energy: -111.112
tors. eta vs tors. theta energy: -166.985
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: 163
Temperature: 1.100000
Total energy: -2095.675637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.675637 (E_RNA)
where:
Base-Base interactions energy: -1387.489
where: short stacking energy: -621.346
Base-Backbone interact. energy: -0.519
local terms energy: -707.667676
where:
bonds (distance) C4'-P energy: -125.663
bonds (distance) P-C4' energy: -152.995
flat angles C4'-P-C4' energy: -159.285
flat angles P-C4'-P energy: -103.251
tors. eta vs tors. theta energy: -166.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1945.285336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.285336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.285336 (E_RNA)
where:
Base-Base interactions energy: -1255.473
where: short stacking energy: -536.143
Base-Backbone interact. energy: -4.596
local terms energy: -685.217035
where:
bonds (distance) C4'-P energy: -141.145
bonds (distance) P-C4' energy: -137.289
flat angles C4'-P-C4' energy: -168.396
flat angles P-C4'-P energy: -96.287
tors. eta vs tors. theta energy: -142.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1746.418436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.418436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.418436 (E_RNA)
where:
Base-Base interactions energy: -1134.022
where: short stacking energy: -514.036
Base-Backbone interact. energy: -1.045
local terms energy: -611.351587
where:
bonds (distance) C4'-P energy: -139.903
bonds (distance) P-C4' energy: -157.104
flat angles C4'-P-C4' energy: -129.235
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -116.788
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1346.438675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.438675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.438675 (E_RNA)
where:
Base-Base interactions energy: -804.016
where: short stacking energy: -374.063
Base-Backbone interact. energy: 3.198
local terms energy: -545.620766
where:
bonds (distance) C4'-P energy: -129.961
bonds (distance) P-C4' energy: -143.915
flat angles C4'-P-C4' energy: -112.193
flat angles P-C4'-P energy: -86.069
tors. eta vs tors. theta energy: -73.482
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: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1119.502864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.502864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.502864 (E_RNA)
where:
Base-Base interactions energy: -624.089
where: short stacking energy: -330.342
Base-Backbone interact. energy: 3.587
local terms energy: -499.000796
where:
bonds (distance) C4'-P energy: -112.807
bonds (distance) P-C4' energy: -143.390
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -39.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -907.849449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.849449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.849449 (E_RNA)
where:
Base-Base interactions energy: -485.281
where: short stacking energy: -266.822
Base-Backbone interact. energy: 0.770
local terms energy: -423.338148
where:
bonds (distance) C4'-P energy: -111.176
bonds (distance) P-C4' energy: -139.493
flat angles C4'-P-C4' energy: -119.916
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2730.236304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.236304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.236304 (E_RNA)
where:
Base-Base interactions energy: -1889.800
where: short stacking energy: -797.270
Base-Backbone interact. energy: 0.253
local terms energy: -840.689310
where:
bonds (distance) C4'-P energy: -149.881
bonds (distance) P-C4' energy: -157.719
flat angles C4'-P-C4' energy: -174.767
flat angles P-C4'-P energy: -118.280
tors. eta vs tors. theta energy: -240.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2513.156979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.156979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.156979 (E_RNA)
where:
Base-Base interactions energy: -1679.030
where: short stacking energy: -762.632
Base-Backbone interact. energy: -3.833
local terms energy: -830.294229
where:
bonds (distance) C4'-P energy: -150.521
bonds (distance) P-C4' energy: -164.027
flat angles C4'-P-C4' energy: -173.235
flat angles P-C4'-P energy: -114.038
tors. eta vs tors. theta energy: -228.474
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: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2374.124804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.124804 (E_RNA)
where:
Base-Base interactions energy: -1611.113
where: short stacking energy: -689.213
Base-Backbone interact. energy: -4.699
local terms energy: -758.312453
where:
bonds (distance) C4'-P energy: -136.148
bonds (distance) P-C4' energy: -153.821
flat angles C4'-P-C4' energy: -175.018
flat angles P-C4'-P energy: -98.894
tors. eta vs tors. theta energy: -194.432
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: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2239.932122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.932122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.932122 (E_RNA)
where:
Base-Base interactions energy: -1488.825
where: short stacking energy: -660.835
Base-Backbone interact. energy: -1.870
local terms energy: -749.237354
where:
bonds (distance) C4'-P energy: -127.082
bonds (distance) P-C4' energy: -153.633
flat angles C4'-P-C4' energy: -160.937
flat angles P-C4'-P energy: -120.355
tors. eta vs tors. theta energy: -187.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2067.422788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.422788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.422788 (E_RNA)
where:
Base-Base interactions energy: -1351.698
where: short stacking energy: -584.560
Base-Backbone interact. energy: -1.197
local terms energy: -714.527807
where:
bonds (distance) C4'-P energy: -130.409
bonds (distance) P-C4' energy: -147.460
flat angles C4'-P-C4' energy: -168.026
flat angles P-C4'-P energy: -103.755
tors. eta vs tors. theta energy: -164.878
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: 164
Temperature: 1.150000
Total energy: -1922.482487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.482487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.482487 (E_RNA)
where:
Base-Base interactions energy: -1240.213
where: short stacking energy: -558.552
Base-Backbone interact. energy: -2.186
local terms energy: -680.083776
where:
bonds (distance) C4'-P energy: -132.630
bonds (distance) P-C4' energy: -150.302
flat angles C4'-P-C4' energy: -148.361
flat angles P-C4'-P energy: -103.350
tors. eta vs tors. theta energy: -145.440
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: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1701.508143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.508143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.508143 (E_RNA)
where:
Base-Base interactions energy: -1078.421
where: short stacking energy: -487.293
Base-Backbone interact. energy: -1.495
local terms energy: -621.591831
where:
bonds (distance) C4'-P energy: -133.974
bonds (distance) P-C4' energy: -131.549
flat angles C4'-P-C4' energy: -135.255
flat angles P-C4'-P energy: -95.161
tors. eta vs tors. theta energy: -125.653
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1397.841209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.841209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.841209 (E_RNA)
where:
Base-Base interactions energy: -819.724
where: short stacking energy: -376.170
Base-Backbone interact. energy: -4.953
local terms energy: -573.164815
where:
bonds (distance) C4'-P energy: -143.774
bonds (distance) P-C4' energy: -139.035
flat angles C4'-P-C4' energy: -138.513
flat angles P-C4'-P energy: -79.914
tors. eta vs tors. theta energy: -71.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1156.576207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.576207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.576207 (E_RNA)
where:
Base-Base interactions energy: -664.472
where: short stacking energy: -301.940
Base-Backbone interact. energy: -1.932
local terms energy: -490.172496
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -142.604
flat angles C4'-P-C4' energy: -131.982
flat angles P-C4'-P energy: -73.571
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -952.095235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.095235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.095235 (E_RNA)
where:
Base-Base interactions energy: -501.282
where: short stacking energy: -272.810
Base-Backbone interact. energy: 1.869
local terms energy: -452.682793
where:
bonds (distance) C4'-P energy: -134.673
bonds (distance) P-C4' energy: -146.010
flat angles C4'-P-C4' energy: -98.996
flat angles P-C4'-P energy: -78.390
tors. eta vs tors. theta energy: 5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2683.078678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.078678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.078678 (E_RNA)
where:
Base-Base interactions energy: -1807.727
where: short stacking energy: -789.121
Base-Backbone interact. energy: -6.321
local terms energy: -869.030497
where:
bonds (distance) C4'-P energy: -171.965
bonds (distance) P-C4' energy: -159.787
flat angles C4'-P-C4' energy: -180.705
flat angles P-C4'-P energy: -121.656
tors. eta vs tors. theta energy: -234.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2513.582769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.582769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.582769 (E_RNA)
where:
Base-Base interactions energy: -1680.353
where: short stacking energy: -763.396
Base-Backbone interact. energy: 0.478
local terms energy: -833.708088
where:
bonds (distance) C4'-P energy: -161.653
bonds (distance) P-C4' energy: -147.568
flat angles C4'-P-C4' energy: -178.728
flat angles P-C4'-P energy: -125.580
tors. eta vs tors. theta energy: -220.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2416.863799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.863799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.863799 (E_RNA)
where:
Base-Base interactions energy: -1623.018
where: short stacking energy: -696.352
Base-Backbone interact. energy: -0.621
local terms energy: -793.224846
where:
bonds (distance) C4'-P energy: -145.960
bonds (distance) P-C4' energy: -155.656
flat angles C4'-P-C4' energy: -183.144
flat angles P-C4'-P energy: -109.545
tors. eta vs tors. theta energy: -198.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2270.409562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.409562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.409562 (E_RNA)
where:
Base-Base interactions energy: -1509.936
where: short stacking energy: -669.363
Base-Backbone interact. energy: -0.337
local terms energy: -760.137118
where:
bonds (distance) C4'-P energy: -149.388
bonds (distance) P-C4' energy: -156.949
flat angles C4'-P-C4' energy: -167.589
flat angles P-C4'-P energy: -104.821
tors. eta vs tors. theta energy: -181.390
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2105.561493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.561493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.561493 (E_RNA)
where:
Base-Base interactions energy: -1398.577
where: short stacking energy: -628.504
Base-Backbone interact. energy: 0.637
local terms energy: -707.620999
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -141.104
flat angles C4'-P-C4' energy: -153.646
flat angles P-C4'-P energy: -92.862
tors. eta vs tors. theta energy: -176.603
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: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1904.936084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.936084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.936084 (E_RNA)
where:
Base-Base interactions energy: -1240.289
where: short stacking energy: -537.922
Base-Backbone interact. energy: 6.966
local terms energy: -671.613154
where:
bonds (distance) C4'-P energy: -153.087
bonds (distance) P-C4' energy: -135.938
flat angles C4'-P-C4' energy: -149.326
flat angles P-C4'-P energy: -102.331
tors. eta vs tors. theta energy: -130.932
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: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1694.802449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.802449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.802449 (E_RNA)
where:
Base-Base interactions energy: -1069.626
where: short stacking energy: -467.609
Base-Backbone interact. energy: 2.288
local terms energy: -627.464179
where:
bonds (distance) C4'-P energy: -147.389
bonds (distance) P-C4' energy: -139.763
flat angles C4'-P-C4' energy: -144.668
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -106.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1432.522773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.522773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.522773 (E_RNA)
where:
Base-Base interactions energy: -855.852
where: short stacking energy: -403.610
Base-Backbone interact. energy: -4.424
local terms energy: -572.246278
where:
bonds (distance) C4'-P energy: -142.346
bonds (distance) P-C4' energy: -135.768
flat angles C4'-P-C4' energy: -149.284
flat angles P-C4'-P energy: -80.444
tors. eta vs tors. theta energy: -64.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1174.731467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.731467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.731467 (E_RNA)
where:
Base-Base interactions energy: -664.252
where: short stacking energy: -339.702
Base-Backbone interact. energy: 0.889
local terms energy: -511.368184
where:
bonds (distance) C4'-P energy: -120.361
bonds (distance) P-C4' energy: -138.161
flat angles C4'-P-C4' energy: -127.420
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: -58.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -873.570424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.570424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.570424 (E_RNA)
where:
Base-Base interactions energy: -468.085
where: short stacking energy: -241.984
Base-Backbone interact. energy: -2.394
local terms energy: -403.091579
where:
bonds (distance) C4'-P energy: -121.290
bonds (distance) P-C4' energy: -124.157
flat angles C4'-P-C4' energy: -105.770
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: 4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2679.447396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.447396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.447396 (E_RNA)
where:
Base-Base interactions energy: -1814.316
where: short stacking energy: -770.504
Base-Backbone interact. energy: -4.149
local terms energy: -860.982947
where:
bonds (distance) C4'-P energy: -167.011
bonds (distance) P-C4' energy: -176.212
flat angles C4'-P-C4' energy: -181.030
flat angles P-C4'-P energy: -115.406
tors. eta vs tors. theta energy: -221.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2495.977818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.977818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.977818 (E_RNA)
where:
Base-Base interactions energy: -1681.768
where: short stacking energy: -762.715
Base-Backbone interact. energy: -0.495
local terms energy: -813.714623
where:
bonds (distance) C4'-P energy: -155.471
bonds (distance) P-C4' energy: -156.813
flat angles C4'-P-C4' energy: -171.742
flat angles P-C4'-P energy: -116.206
tors. eta vs tors. theta energy: -213.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2389.906215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.906215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.906215 (E_RNA)
where:
Base-Base interactions energy: -1572.589
where: short stacking energy: -718.653
Base-Backbone interact. energy: -1.388
local terms energy: -815.929929
where:
bonds (distance) C4'-P energy: -152.825
bonds (distance) P-C4' energy: -166.752
flat angles C4'-P-C4' energy: -168.251
flat angles P-C4'-P energy: -121.804
tors. eta vs tors. theta energy: -206.298
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: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2281.383804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.383804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.383804 (E_RNA)
where:
Base-Base interactions energy: -1528.574
where: short stacking energy: -706.515
Base-Backbone interact. energy: 4.253
local terms energy: -757.062340
where:
bonds (distance) C4'-P energy: -143.444
bonds (distance) P-C4' energy: -152.701
flat angles C4'-P-C4' energy: -164.695
flat angles P-C4'-P energy: -107.856
tors. eta vs tors. theta energy: -188.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2098.428985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.428985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.428985 (E_RNA)
where:
Base-Base interactions energy: -1376.313
where: short stacking energy: -620.466
Base-Backbone interact. energy: -2.671
local terms energy: -719.445012
where:
bonds (distance) C4'-P energy: -157.244
bonds (distance) P-C4' energy: -145.983
flat angles C4'-P-C4' energy: -151.100
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -174.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1862.773545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.773545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.773545 (E_RNA)
where:
Base-Base interactions energy: -1216.758
where: short stacking energy: -549.594
Base-Backbone interact. energy: -3.405
local terms energy: -642.610749
where:
bonds (distance) C4'-P energy: -144.639
bonds (distance) P-C4' energy: -144.339
flat angles C4'-P-C4' energy: -129.657
flat angles P-C4'-P energy: -85.345
tors. eta vs tors. theta energy: -138.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1728.368367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.368367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.368367 (E_RNA)
where:
Base-Base interactions energy: -1087.110
where: short stacking energy: -493.694
Base-Backbone interact. energy: 0.043
local terms energy: -641.301555
where:
bonds (distance) C4'-P energy: -140.057
bonds (distance) P-C4' energy: -141.916
flat angles C4'-P-C4' energy: -162.712
flat angles P-C4'-P energy: -69.547
tors. eta vs tors. theta energy: -127.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1337.492722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.492722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.492722 (E_RNA)
where:
Base-Base interactions energy: -784.035
where: short stacking energy: -359.972
Base-Backbone interact. energy: -1.491
local terms energy: -551.967353
where:
bonds (distance) C4'-P energy: -135.980
bonds (distance) P-C4' energy: -144.351
flat angles C4'-P-C4' energy: -133.617
flat angles P-C4'-P energy: -75.439
tors. eta vs tors. theta energy: -62.580
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1159.017390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.017390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.017390 (E_RNA)
where:
Base-Base interactions energy: -653.780
where: short stacking energy: -325.376
Base-Backbone interact. energy: -1.374
local terms energy: -503.863238
where:
bonds (distance) C4'-P energy: -146.622
bonds (distance) P-C4' energy: -127.985
flat angles C4'-P-C4' energy: -116.306
flat angles P-C4'-P energy: -81.730
tors. eta vs tors. theta energy: -31.221
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -879.409061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.409061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.409061 (E_RNA)
where:
Base-Base interactions energy: -451.900
where: short stacking energy: -240.225
Base-Backbone interact. energy: 2.286
local terms energy: -429.794788
where:
bonds (distance) C4'-P energy: -124.231
bonds (distance) P-C4' energy: -133.590
flat angles C4'-P-C4' energy: -119.658
flat angles P-C4'-P energy: -62.541
tors. eta vs tors. theta energy: 10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2692.921308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.921308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.921308 (E_RNA)
where:
Base-Base interactions energy: -1830.500
where: short stacking energy: -780.525
Base-Backbone interact. energy: -4.731
local terms energy: -857.690519
where:
bonds (distance) C4'-P energy: -168.660
bonds (distance) P-C4' energy: -166.988
flat angles C4'-P-C4' energy: -188.704
flat angles P-C4'-P energy: -114.415
tors. eta vs tors. theta energy: -218.923
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: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2530.105686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.105686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.105686 (E_RNA)
where:
Base-Base interactions energy: -1706.161
where: short stacking energy: -760.412
Base-Backbone interact. energy: -3.652
local terms energy: -820.292029
where:
bonds (distance) C4'-P energy: -160.679
bonds (distance) P-C4' energy: -156.277
flat angles C4'-P-C4' energy: -170.138
flat angles P-C4'-P energy: -100.366
tors. eta vs tors. theta energy: -232.832
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2366.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.046065 (E_RNA)
where:
Base-Base interactions energy: -1585.310
where: short stacking energy: -687.104
Base-Backbone interact. energy: -2.039
local terms energy: -778.697394
where:
bonds (distance) C4'-P energy: -166.911
bonds (distance) P-C4' energy: -158.794
flat angles C4'-P-C4' energy: -157.374
flat angles P-C4'-P energy: -101.307
tors. eta vs tors. theta energy: -194.311
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: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2238.152258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.152258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.152258 (E_RNA)
where:
Base-Base interactions energy: -1491.205
where: short stacking energy: -660.955
Base-Backbone interact. energy: -1.114
local terms energy: -745.833289
where:
bonds (distance) C4'-P energy: -143.096
bonds (distance) P-C4' energy: -148.283
flat angles C4'-P-C4' energy: -169.645
flat angles P-C4'-P energy: -111.515
tors. eta vs tors. theta energy: -173.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2125.664380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.664380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.664380 (E_RNA)
where:
Base-Base interactions energy: -1375.940
where: short stacking energy: -631.190
Base-Backbone interact. energy: -5.702
local terms energy: -744.022299
where:
bonds (distance) C4'-P energy: -153.344
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -164.799
flat angles P-C4'-P energy: -103.042
tors. eta vs tors. theta energy: -184.259
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: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1925.755657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.755657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.755657 (E_RNA)
where:
Base-Base interactions energy: -1239.064
where: short stacking energy: -548.254
Base-Backbone interact. energy: -3.285
local terms energy: -683.406740
where:
bonds (distance) C4'-P energy: -147.822
bonds (distance) P-C4' energy: -142.928
flat angles C4'-P-C4' energy: -142.992
flat angles P-C4'-P energy: -102.218
tors. eta vs tors. theta energy: -147.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1733.486807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.486807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.486807 (E_RNA)
where:
Base-Base interactions energy: -1114.759
where: short stacking energy: -519.182
Base-Backbone interact. energy: 1.697
local terms energy: -620.424312
where:
bonds (distance) C4'-P energy: -118.138
bonds (distance) P-C4' energy: -135.509
flat angles C4'-P-C4' energy: -140.016
flat angles P-C4'-P energy: -99.845
tors. eta vs tors. theta energy: -126.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1341.188217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.188217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.188217 (E_RNA)
where:
Base-Base interactions energy: -800.741
where: short stacking energy: -388.944
Base-Backbone interact. energy: -2.300
local terms energy: -538.146496
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -137.757
flat angles C4'-P-C4' energy: -127.663
flat angles P-C4'-P energy: -87.126
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: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1141.393210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.393210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.393210 (E_RNA)
where:
Base-Base interactions energy: -640.509
where: short stacking energy: -304.657
Base-Backbone interact. energy: 3.445
local terms energy: -504.329413
where:
bonds (distance) C4'-P energy: -126.431
bonds (distance) P-C4' energy: -156.745
flat angles C4'-P-C4' energy: -118.720
flat angles P-C4'-P energy: -73.164
tors. eta vs tors. theta energy: -29.269
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -865.318379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.318379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.318379 (E_RNA)
where:
Base-Base interactions energy: -430.375
where: short stacking energy: -224.471
Base-Backbone interact. energy: 2.584
local terms energy: -437.979579
where:
bonds (distance) C4'-P energy: -125.952
bonds (distance) P-C4' energy: -138.494
flat angles C4'-P-C4' energy: -118.902
flat angles P-C4'-P energy: -67.359
tors. eta vs tors. theta energy: 12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.452 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2668.381548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.381548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.381548 (E_RNA)
where:
Base-Base interactions energy: -1832.317
where: short stacking energy: -759.637
Base-Backbone interact. energy: -2.657
local terms energy: -833.407227
where:
bonds (distance) C4'-P energy: -163.110
bonds (distance) P-C4' energy: -162.667
flat angles C4'-P-C4' energy: -176.056
flat angles P-C4'-P energy: -118.212
tors. eta vs tors. theta energy: -213.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2538.860516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.860516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.860516 (E_RNA)
where:
Base-Base interactions energy: -1724.917
where: short stacking energy: -775.593
Base-Backbone interact. energy: -0.434
local terms energy: -813.509097
where:
bonds (distance) C4'-P energy: -147.649
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -189.253
flat angles P-C4'-P energy: -110.523
tors. eta vs tors. theta energy: -230.574
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2362.815427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.815427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.815427 (E_RNA)
where:
Base-Base interactions energy: -1615.975
where: short stacking energy: -691.103
Base-Backbone interact. energy: -1.640
local terms energy: -745.199969
where:
bonds (distance) C4'-P energy: -127.293
bonds (distance) P-C4' energy: -139.656
flat angles C4'-P-C4' energy: -178.923
flat angles P-C4'-P energy: -125.634
tors. eta vs tors. theta energy: -173.692
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2287.379539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.379539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.379539 (E_RNA)
where:
Base-Base interactions energy: -1490.360
where: short stacking energy: -661.498
Base-Backbone interact. energy: -2.099
local terms energy: -794.920227
where:
bonds (distance) C4'-P energy: -161.016
bonds (distance) P-C4' energy: -153.989
flat angles C4'-P-C4' energy: -179.831
flat angles P-C4'-P energy: -103.361
tors. eta vs tors. theta energy: -196.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2149.555605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.555605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.555605 (E_RNA)
where:
Base-Base interactions energy: -1440.459
where: short stacking energy: -649.379
Base-Backbone interact. energy: -1.938
local terms energy: -707.158494
where:
bonds (distance) C4'-P energy: -131.736
bonds (distance) P-C4' energy: -156.657
flat angles C4'-P-C4' energy: -164.821
flat angles P-C4'-P energy: -75.692
tors. eta vs tors. theta energy: -178.253
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: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1887.994136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.994136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.994136 (E_RNA)
where:
Base-Base interactions energy: -1214.643
where: short stacking energy: -561.690
Base-Backbone interact. energy: -0.803
local terms energy: -672.548512
where:
bonds (distance) C4'-P energy: -135.088
bonds (distance) P-C4' energy: -149.998
flat angles C4'-P-C4' energy: -146.115
flat angles P-C4'-P energy: -91.708
tors. eta vs tors. theta energy: -149.640
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: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1755.003884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.003884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.003884 (E_RNA)
where:
Base-Base interactions energy: -1104.194
where: short stacking energy: -496.410
Base-Backbone interact. energy: -0.941
local terms energy: -649.868888
where:
bonds (distance) C4'-P energy: -146.271
bonds (distance) P-C4' energy: -143.985
flat angles C4'-P-C4' energy: -165.379
flat angles P-C4'-P energy: -88.736
tors. eta vs tors. theta energy: -105.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1278.841659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.841659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.841659 (E_RNA)
where:
Base-Base interactions energy: -738.978
where: short stacking energy: -355.512
Base-Backbone interact. energy: -4.820
local terms energy: -535.043801
where:
bonds (distance) C4'-P energy: -149.315
bonds (distance) P-C4' energy: -139.172
flat angles C4'-P-C4' energy: -128.710
flat angles P-C4'-P energy: -78.057
tors. eta vs tors. theta energy: -39.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1166.240336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.240336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.240336 (E_RNA)
where:
Base-Base interactions energy: -678.723
where: short stacking energy: -324.580
Base-Backbone interact. energy: -2.498
local terms energy: -485.019017
where:
bonds (distance) C4'-P energy: -120.429
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -130.788
flat angles P-C4'-P energy: -72.253
tors. eta vs tors. theta energy: -37.678
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: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -862.067343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.067343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.067343 (E_RNA)
where:
Base-Base interactions energy: -472.480
where: short stacking energy: -260.290
Base-Backbone interact. energy: 4.325
local terms energy: -393.912379
where:
bonds (distance) C4'-P energy: -135.437
bonds (distance) P-C4' energy: -110.236
flat angles C4'-P-C4' energy: -120.232
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: 24.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2707.362433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.362433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.362433 (E_RNA)
where:
Base-Base interactions energy: -1853.008
where: short stacking energy: -754.229
Base-Backbone interact. energy: -1.555
local terms energy: -852.799152
where:
bonds (distance) C4'-P energy: -175.198
bonds (distance) P-C4' energy: -149.013
flat angles C4'-P-C4' energy: -178.728
flat angles P-C4'-P energy: -129.197
tors. eta vs tors. theta energy: -220.663
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: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2533.624717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.624717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.624717 (E_RNA)
where:
Base-Base interactions energy: -1685.779
where: short stacking energy: -743.815
Base-Backbone interact. energy: -3.814
local terms energy: -844.031783
where:
bonds (distance) C4'-P energy: -150.533
bonds (distance) P-C4' energy: -152.540
flat angles C4'-P-C4' energy: -186.115
flat angles P-C4'-P energy: -129.140
tors. eta vs tors. theta energy: -225.705
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2379.797404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.797404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.797404 (E_RNA)
where:
Base-Base interactions energy: -1609.998
where: short stacking energy: -692.216
Base-Backbone interact. energy: -1.227
local terms energy: -768.572180
where:
bonds (distance) C4'-P energy: -141.088
bonds (distance) P-C4' energy: -155.736
flat angles C4'-P-C4' energy: -183.907
flat angles P-C4'-P energy: -110.720
tors. eta vs tors. theta energy: -177.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2253.241432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.241432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.241432 (E_RNA)
where:
Base-Base interactions energy: -1527.226
where: short stacking energy: -647.409
Base-Backbone interact. energy: -4.698
local terms energy: -721.316770
where:
bonds (distance) C4'-P energy: -139.163
bonds (distance) P-C4' energy: -135.673
flat angles C4'-P-C4' energy: -167.696
flat angles P-C4'-P energy: -94.238
tors. eta vs tors. theta energy: -184.547
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2060.840055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.840055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.840055 (E_RNA)
where:
Base-Base interactions energy: -1377.613
where: short stacking energy: -600.346
Base-Backbone interact. energy: -2.456
local terms energy: -680.771342
where:
bonds (distance) C4'-P energy: -135.491
bonds (distance) P-C4' energy: -139.899
flat angles C4'-P-C4' energy: -160.930
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -159.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1894.526923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.526923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.526923 (E_RNA)
where:
Base-Base interactions energy: -1237.928
where: short stacking energy: -515.172
Base-Backbone interact. energy: -2.065
local terms energy: -654.533812
where:
bonds (distance) C4'-P energy: -146.279
bonds (distance) P-C4' energy: -124.868
flat angles C4'-P-C4' energy: -154.968
flat angles P-C4'-P energy: -99.270
tors. eta vs tors. theta energy: -129.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1695.538646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.538646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.538646 (E_RNA)
where:
Base-Base interactions energy: -1100.260
where: short stacking energy: -508.081
Base-Backbone interact. energy: 4.214
local terms energy: -599.492608
where:
bonds (distance) C4'-P energy: -133.747
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -133.499
flat angles P-C4'-P energy: -93.424
tors. eta vs tors. theta energy: -119.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1309.534937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.534937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.534937 (E_RNA)
where:
Base-Base interactions energy: -774.553
where: short stacking energy: -386.464
Base-Backbone interact. energy: -3.591
local terms energy: -531.390647
where:
bonds (distance) C4'-P energy: -117.663
bonds (distance) P-C4' energy: -160.850
flat angles C4'-P-C4' energy: -122.199
flat angles P-C4'-P energy: -75.674
tors. eta vs tors. theta energy: -55.005
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1196.156085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.156085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.156085 (E_RNA)
where:
Base-Base interactions energy: -687.879
where: short stacking energy: -344.776
Base-Backbone interact. energy: -0.732
local terms energy: -507.545356
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -139.997
flat angles C4'-P-C4' energy: -136.120
flat angles P-C4'-P energy: -82.001
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -887.495125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.495125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.495125 (E_RNA)
where:
Base-Base interactions energy: -466.815
where: short stacking energy: -253.117
Base-Backbone interact. energy: -1.544
local terms energy: -419.136172
where:
bonds (distance) C4'-P energy: -132.369
bonds (distance) P-C4' energy: -131.166
flat angles C4'-P-C4' energy: -111.262
flat angles P-C4'-P energy: -54.545
tors. eta vs tors. theta energy: 10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2711.699591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.699591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.699591 (E_RNA)
where:
Base-Base interactions energy: -1861.976
where: short stacking energy: -756.698
Base-Backbone interact. energy: -2.603
local terms energy: -847.119872
where:
bonds (distance) C4'-P energy: -151.478
bonds (distance) P-C4' energy: -160.881
flat angles C4'-P-C4' energy: -180.441
flat angles P-C4'-P energy: -126.895
tors. eta vs tors. theta energy: -227.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2550.883027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.883027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.883027 (E_RNA)
where:
Base-Base interactions energy: -1719.188
where: short stacking energy: -752.410
Base-Backbone interact. energy: -4.019
local terms energy: -827.675547
where:
bonds (distance) C4'-P energy: -152.378
bonds (distance) P-C4' energy: -154.542
flat angles C4'-P-C4' energy: -181.519
flat angles P-C4'-P energy: -109.830
tors. eta vs tors. theta energy: -229.407
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2332.893158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.893158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.893158 (E_RNA)
where:
Base-Base interactions energy: -1560.669
where: short stacking energy: -657.884
Base-Backbone interact. energy: -0.151
local terms energy: -772.073023
where:
bonds (distance) C4'-P energy: -149.342
bonds (distance) P-C4' energy: -160.697
flat angles C4'-P-C4' energy: -164.793
flat angles P-C4'-P energy: -109.684
tors. eta vs tors. theta energy: -187.557
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: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2248.071236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.071236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.071236 (E_RNA)
where:
Base-Base interactions energy: -1502.714
where: short stacking energy: -659.570
Base-Backbone interact. energy: -4.166
local terms energy: -741.191314
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -146.599
flat angles C4'-P-C4' energy: -161.918
flat angles P-C4'-P energy: -99.405
tors. eta vs tors. theta energy: -185.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2063.295529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.295529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.295529 (E_RNA)
where:
Base-Base interactions energy: -1339.913
where: short stacking energy: -585.627
Base-Backbone interact. energy: -5.640
local terms energy: -717.742740
where:
bonds (distance) C4'-P energy: -144.100
bonds (distance) P-C4' energy: -138.443
flat angles C4'-P-C4' energy: -167.723
flat angles P-C4'-P energy: -109.286
tors. eta vs tors. theta energy: -158.190
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1909.687266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.687266 (E_RNA)
where:
Base-Base interactions energy: -1209.044
where: short stacking energy: -545.794
Base-Backbone interact. energy: -2.664
local terms energy: -697.979706
where:
bonds (distance) C4'-P energy: -143.061
bonds (distance) P-C4' energy: -140.240
flat angles C4'-P-C4' energy: -164.491
flat angles P-C4'-P energy: -102.688
tors. eta vs tors. theta energy: -147.499
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: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1644.562183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.562183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.562183 (E_RNA)
where:
Base-Base interactions energy: -1057.411
where: short stacking energy: -447.704
Base-Backbone interact. energy: -4.704
local terms energy: -582.447378
where:
bonds (distance) C4'-P energy: -128.839
bonds (distance) P-C4' energy: -142.577
flat angles C4'-P-C4' energy: -137.944
flat angles P-C4'-P energy: -83.476
tors. eta vs tors. theta energy: -89.610
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: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1370.491686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.491686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.491686 (E_RNA)
where:
Base-Base interactions energy: -830.927
where: short stacking energy: -413.436
Base-Backbone interact. energy: -1.645
local terms energy: -537.919756
where:
bonds (distance) C4'-P energy: -126.828
bonds (distance) P-C4' energy: -133.379
flat angles C4'-P-C4' energy: -131.520
flat angles P-C4'-P energy: -73.558
tors. eta vs tors. theta energy: -72.635
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: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1202.236053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.236053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.236053 (E_RNA)
where:
Base-Base interactions energy: -695.475
where: short stacking energy: -316.184
Base-Backbone interact. energy: 0.695
local terms energy: -507.455804
where:
bonds (distance) C4'-P energy: -118.658
bonds (distance) P-C4' energy: -119.532
flat angles C4'-P-C4' energy: -132.957
flat angles P-C4'-P energy: -82.780
tors. eta vs tors. theta energy: -53.528
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -917.314895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.314895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.314895 (E_RNA)
where:
Base-Base interactions energy: -469.167
where: short stacking energy: -237.150
Base-Backbone interact. energy: 3.477
local terms energy: -451.625561
where:
bonds (distance) C4'-P energy: -128.907
bonds (distance) P-C4' energy: -137.230
flat angles C4'-P-C4' energy: -123.880
flat angles P-C4'-P energy: -59.002
tors. eta vs tors. theta energy: -2.607
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: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2721.790426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.790426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.790426 (E_RNA)
where:
Base-Base interactions energy: -1866.290
where: short stacking energy: -778.701
Base-Backbone interact. energy: -4.088
local terms energy: -851.411763
where:
bonds (distance) C4'-P energy: -162.274
bonds (distance) P-C4' energy: -159.655
flat angles C4'-P-C4' energy: -179.139
flat angles P-C4'-P energy: -131.332
tors. eta vs tors. theta energy: -219.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2504.465636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.465636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.465636 (E_RNA)
where:
Base-Base interactions energy: -1677.683
where: short stacking energy: -743.839
Base-Backbone interact. energy: -0.997
local terms energy: -825.786169
where:
bonds (distance) C4'-P energy: -155.044
bonds (distance) P-C4' energy: -158.893
flat angles C4'-P-C4' energy: -178.760
flat angles P-C4'-P energy: -104.654
tors. eta vs tors. theta energy: -228.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2360.291714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.291714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.291714 (E_RNA)
where:
Base-Base interactions energy: -1605.702
where: short stacking energy: -734.070
Base-Backbone interact. energy: -3.112
local terms energy: -751.478044
where:
bonds (distance) C4'-P energy: -156.709
bonds (distance) P-C4' energy: -131.400
flat angles C4'-P-C4' energy: -169.860
flat angles P-C4'-P energy: -99.389
tors. eta vs tors. theta energy: -194.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2261.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.854747 (E_RNA)
where:
Base-Base interactions energy: -1497.296
where: short stacking energy: -631.957
Base-Backbone interact. energy: 0.381
local terms energy: -764.939579
where:
bonds (distance) C4'-P energy: -146.603
bonds (distance) P-C4' energy: -148.941
flat angles C4'-P-C4' energy: -179.927
flat angles P-C4'-P energy: -115.010
tors. eta vs tors. theta energy: -174.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2111.992750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.992750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.992750 (E_RNA)
where:
Base-Base interactions energy: -1368.993
where: short stacking energy: -617.992
Base-Backbone interact. energy: -1.652
local terms energy: -741.348378
where:
bonds (distance) C4'-P energy: -150.522
bonds (distance) P-C4' energy: -151.468
flat angles C4'-P-C4' energy: -157.665
flat angles P-C4'-P energy: -106.959
tors. eta vs tors. theta energy: -174.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1939.315614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.315614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.315614 (E_RNA)
where:
Base-Base interactions energy: -1263.216
where: short stacking energy: -558.279
Base-Backbone interact. energy: -3.390
local terms energy: -672.709678
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -139.155
flat angles C4'-P-C4' energy: -153.102
flat angles P-C4'-P energy: -105.695
tors. eta vs tors. theta energy: -142.946
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1625.259125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.259125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.259125 (E_RNA)
where:
Base-Base interactions energy: -1012.819
where: short stacking energy: -448.470
Base-Backbone interact. energy: -0.484
local terms energy: -611.956536
where:
bonds (distance) C4'-P energy: -133.199
bonds (distance) P-C4' energy: -145.515
flat angles C4'-P-C4' energy: -145.787
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -112.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1271.259643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.259643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.259643 (E_RNA)
where:
Base-Base interactions energy: -774.059
where: short stacking energy: -392.595
Base-Backbone interact. energy: 0.257
local terms energy: -497.457031
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -112.589
flat angles C4'-P-C4' energy: -138.542
flat angles P-C4'-P energy: -66.246
tors. eta vs tors. theta energy: -61.922
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: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1144.254809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.254809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.254809 (E_RNA)
where:
Base-Base interactions energy: -630.500
where: short stacking energy: -319.041
Base-Backbone interact. energy: 0.343
local terms energy: -514.097789
where:
bonds (distance) C4'-P energy: -146.702
bonds (distance) P-C4' energy: -140.756
flat angles C4'-P-C4' energy: -123.571
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -33.249
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: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -929.493711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.493711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.493711 (E_RNA)
where:
Base-Base interactions energy: -505.183
where: short stacking energy: -283.998
Base-Backbone interact. energy: 0.620
local terms energy: -424.930705
where:
bonds (distance) C4'-P energy: -111.453
bonds (distance) P-C4' energy: -127.391
flat angles C4'-P-C4' energy: -105.384
flat angles P-C4'-P energy: -64.255
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2727.758742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.758742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.758742 (E_RNA)
where:
Base-Base interactions energy: -1844.214
where: short stacking energy: -768.533
Base-Backbone interact. energy: 1.819
local terms energy: -885.363778
where:
bonds (distance) C4'-P energy: -171.685
bonds (distance) P-C4' energy: -186.785
flat angles C4'-P-C4' energy: -182.975
flat angles P-C4'-P energy: -119.182
tors. eta vs tors. theta energy: -224.737
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: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2542.721676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.721676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.721676 (E_RNA)
where:
Base-Base interactions energy: -1685.603
where: short stacking energy: -778.818
Base-Backbone interact. energy: -2.458
local terms energy: -854.660413
where:
bonds (distance) C4'-P energy: -156.401
bonds (distance) P-C4' energy: -165.585
flat angles C4'-P-C4' energy: -175.148
flat angles P-C4'-P energy: -125.093
tors. eta vs tors. theta energy: -232.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2351.891587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.891587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.891587 (E_RNA)
where:
Base-Base interactions energy: -1562.817
where: short stacking energy: -670.590
Base-Backbone interact. energy: -3.310
local terms energy: -785.764285
where:
bonds (distance) C4'-P energy: -136.037
bonds (distance) P-C4' energy: -151.448
flat angles C4'-P-C4' energy: -181.871
flat angles P-C4'-P energy: -118.047
tors. eta vs tors. theta energy: -198.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2246.012719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.012719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.012719 (E_RNA)
where:
Base-Base interactions energy: -1480.209
where: short stacking energy: -656.314
Base-Backbone interact. energy: 1.359
local terms energy: -767.163324
where:
bonds (distance) C4'-P energy: -135.242
bonds (distance) P-C4' energy: -165.522
flat angles C4'-P-C4' energy: -174.160
flat angles P-C4'-P energy: -112.735
tors. eta vs tors. theta energy: -179.504
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: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2011.181531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.181531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.181531 (E_RNA)
where:
Base-Base interactions energy: -1315.394
where: short stacking energy: -597.806
Base-Backbone interact. energy: -3.178
local terms energy: -692.609380
where:
bonds (distance) C4'-P energy: -146.746
bonds (distance) P-C4' energy: -151.165
flat angles C4'-P-C4' energy: -140.393
flat angles P-C4'-P energy: -97.522
tors. eta vs tors. theta energy: -156.783
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: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1966.383773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.383773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.383773 (E_RNA)
where:
Base-Base interactions energy: -1303.761
where: short stacking energy: -580.534
Base-Backbone interact. energy: -2.708
local terms energy: -659.914389
where:
bonds (distance) C4'-P energy: -124.372
bonds (distance) P-C4' energy: -146.520
flat angles C4'-P-C4' energy: -146.569
flat angles P-C4'-P energy: -86.540
tors. eta vs tors. theta energy: -155.914
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: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1630.674627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.674627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.674627 (E_RNA)
where:
Base-Base interactions energy: -1014.295
where: short stacking energy: -470.678
Base-Backbone interact. energy: -4.024
local terms energy: -612.355929
where:
bonds (distance) C4'-P energy: -146.932
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -147.162
flat angles P-C4'-P energy: -96.938
tors. eta vs tors. theta energy: -111.291
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: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1286.004777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.004777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.004777 (E_RNA)
where:
Base-Base interactions energy: -766.462
where: short stacking energy: -381.013
Base-Backbone interact. energy: 2.261
local terms energy: -521.804031
where:
bonds (distance) C4'-P energy: -134.785
bonds (distance) P-C4' energy: -139.786
flat angles C4'-P-C4' energy: -115.349
flat angles P-C4'-P energy: -70.973
tors. eta vs tors. theta energy: -60.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -959.573525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.573525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.573525 (E_RNA)
where:
Base-Base interactions energy: -522.669
where: short stacking energy: -274.402
Base-Backbone interact. energy: -1.093
local terms energy: -435.811566
where:
bonds (distance) C4'-P energy: -119.159
bonds (distance) P-C4' energy: -129.357
flat angles C4'-P-C4' energy: -99.993
flat angles P-C4'-P energy: -72.858
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -978.977993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.977993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.977993 (E_RNA)
where:
Base-Base interactions energy: -529.045
where: short stacking energy: -249.510
Base-Backbone interact. energy: -0.370
local terms energy: -449.562942
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -142.638
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -79.728
tors. eta vs tors. theta energy: 10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2695.121620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.121620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.121620 (E_RNA)
where:
Base-Base interactions energy: -1853.851
where: short stacking energy: -783.838
Base-Backbone interact. energy: -4.075
local terms energy: -837.195319
where:
bonds (distance) C4'-P energy: -143.099
bonds (distance) P-C4' energy: -167.983
flat angles C4'-P-C4' energy: -179.008
flat angles P-C4'-P energy: -117.645
tors. eta vs tors. theta energy: -229.460
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2555.272750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.272750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.272750 (E_RNA)
where:
Base-Base interactions energy: -1703.894
where: short stacking energy: -757.839
Base-Backbone interact. energy: -2.132
local terms energy: -849.246002
where:
bonds (distance) C4'-P energy: -158.060
bonds (distance) P-C4' energy: -160.201
flat angles C4'-P-C4' energy: -181.627
flat angles P-C4'-P energy: -111.383
tors. eta vs tors. theta energy: -237.975
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: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2311.577207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.577207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.577207 (E_RNA)
where:
Base-Base interactions energy: -1547.592
where: short stacking energy: -654.816
Base-Backbone interact. energy: 0.383
local terms energy: -764.368353
where:
bonds (distance) C4'-P energy: -144.443
bonds (distance) P-C4' energy: -145.792
flat angles C4'-P-C4' energy: -184.477
flat angles P-C4'-P energy: -112.859
tors. eta vs tors. theta energy: -176.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2204.719150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.719150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.719150 (E_RNA)
where:
Base-Base interactions energy: -1467.851
where: short stacking energy: -632.420
Base-Backbone interact. energy: 0.157
local terms energy: -737.025228
where:
bonds (distance) C4'-P energy: -152.613
bonds (distance) P-C4' energy: -135.469
flat angles C4'-P-C4' energy: -164.671
flat angles P-C4'-P energy: -111.974
tors. eta vs tors. theta energy: -172.298
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2090.941943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.941943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.941943 (E_RNA)
where:
Base-Base interactions energy: -1370.425
where: short stacking energy: -593.751
Base-Backbone interact. energy: -2.448
local terms energy: -718.068758
where:
bonds (distance) C4'-P energy: -147.831
bonds (distance) P-C4' energy: -141.130
flat angles C4'-P-C4' energy: -152.894
flat angles P-C4'-P energy: -105.021
tors. eta vs tors. theta energy: -171.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1990.790983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.790983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.790983 (E_RNA)
where:
Base-Base interactions energy: -1276.184
where: short stacking energy: -574.596
Base-Backbone interact. energy: -3.257
local terms energy: -711.349110
where:
bonds (distance) C4'-P energy: -131.472
bonds (distance) P-C4' energy: -153.641
flat angles C4'-P-C4' energy: -154.380
flat angles P-C4'-P energy: -99.805
tors. eta vs tors. theta energy: -172.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1625.646551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.646551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.646551 (E_RNA)
where:
Base-Base interactions energy: -1025.602
where: short stacking energy: -474.454
Base-Backbone interact. energy: 1.377
local terms energy: -601.421672
where:
bonds (distance) C4'-P energy: -138.111
bonds (distance) P-C4' energy: -126.469
flat angles C4'-P-C4' energy: -140.693
flat angles P-C4'-P energy: -91.219
tors. eta vs tors. theta energy: -104.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1234.022508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.022508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.022508 (E_RNA)
where:
Base-Base interactions energy: -754.385
where: short stacking energy: -355.771
Base-Backbone interact. energy: 4.705
local terms energy: -484.343216
where:
bonds (distance) C4'-P energy: -134.789
bonds (distance) P-C4' energy: -130.891
flat angles C4'-P-C4' energy: -105.418
flat angles P-C4'-P energy: -64.304
tors. eta vs tors. theta energy: -48.942
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: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1040.020832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.020832 (E_RNA)
where:
Base-Base interactions energy: -558.259
where: short stacking energy: -307.779
Base-Backbone interact. energy: -4.006
local terms energy: -477.756385
where:
bonds (distance) C4'-P energy: -125.918
bonds (distance) P-C4' energy: -135.581
flat angles C4'-P-C4' energy: -119.326
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -48.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -997.345069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.345069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.345069 (E_RNA)
where:
Base-Base interactions energy: -536.485
where: short stacking energy: -247.092
Base-Backbone interact. energy: 5.626
local terms energy: -466.486818
where:
bonds (distance) C4'-P energy: -123.640
bonds (distance) P-C4' energy: -145.510
flat angles C4'-P-C4' energy: -126.634
flat angles P-C4'-P energy: -66.698
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2740.546403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.546403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.546403 (E_RNA)
where:
Base-Base interactions energy: -1906.304
where: short stacking energy: -806.823
Base-Backbone interact. energy: -4.588
local terms energy: -829.654524
where:
bonds (distance) C4'-P energy: -145.399
bonds (distance) P-C4' energy: -163.277
flat angles C4'-P-C4' energy: -186.288
flat angles P-C4'-P energy: -106.249
tors. eta vs tors. theta energy: -228.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2547.130915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.130915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.130915 (E_RNA)
where:
Base-Base interactions energy: -1692.779
where: short stacking energy: -750.603
Base-Backbone interact. energy: -2.115
local terms energy: -852.236696
where:
bonds (distance) C4'-P energy: -168.381
bonds (distance) P-C4' energy: -162.270
flat angles C4'-P-C4' energy: -178.695
flat angles P-C4'-P energy: -121.489
tors. eta vs tors. theta energy: -221.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2333.675954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.675954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.675954 (E_RNA)
where:
Base-Base interactions energy: -1548.312
where: short stacking energy: -678.016
Base-Backbone interact. energy: -2.948
local terms energy: -782.416070
where:
bonds (distance) C4'-P energy: -155.678
bonds (distance) P-C4' energy: -163.530
flat angles C4'-P-C4' energy: -182.668
flat angles P-C4'-P energy: -118.194
tors. eta vs tors. theta energy: -162.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2160.660757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.660757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.660757 (E_RNA)
where:
Base-Base interactions energy: -1454.913
where: short stacking energy: -647.600
Base-Backbone interact. energy: -3.055
local terms energy: -702.692618
where:
bonds (distance) C4'-P energy: -137.428
bonds (distance) P-C4' energy: -148.457
flat angles C4'-P-C4' energy: -153.763
flat angles P-C4'-P energy: -101.396
tors. eta vs tors. theta energy: -161.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2091.818740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.818740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.818740 (E_RNA)
where:
Base-Base interactions energy: -1404.597
where: short stacking energy: -638.103
Base-Backbone interact. energy: 3.843
local terms energy: -691.064678
where:
bonds (distance) C4'-P energy: -131.220
bonds (distance) P-C4' energy: -129.054
flat angles C4'-P-C4' energy: -159.685
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -174.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1987.099250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.099250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.099250 (E_RNA)
where:
Base-Base interactions energy: -1299.299
where: short stacking energy: -581.824
Base-Backbone interact. energy: -0.020
local terms energy: -687.779702
where:
bonds (distance) C4'-P energy: -136.168
bonds (distance) P-C4' energy: -152.133
flat angles C4'-P-C4' energy: -151.353
flat angles P-C4'-P energy: -94.119
tors. eta vs tors. theta energy: -154.007
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: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1599.522612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.522612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.522612 (E_RNA)
where:
Base-Base interactions energy: -967.161
where: short stacking energy: -459.281
Base-Backbone interact. energy: -2.030
local terms energy: -630.331820
where:
bonds (distance) C4'-P energy: -142.503
bonds (distance) P-C4' energy: -156.883
flat angles C4'-P-C4' energy: -132.616
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -111.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1290.322941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.322941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.322941 (E_RNA)
where:
Base-Base interactions energy: -768.169
where: short stacking energy: -350.152
Base-Backbone interact. energy: 2.350
local terms energy: -524.504150
where:
bonds (distance) C4'-P energy: -120.535
bonds (distance) P-C4' energy: -158.742
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -68.957
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1075.596616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.596616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.596616 (E_RNA)
where:
Base-Base interactions energy: -573.350
where: short stacking energy: -290.813
Base-Backbone interact. energy: -1.600
local terms energy: -500.647043
where:
bonds (distance) C4'-P energy: -130.606
bonds (distance) P-C4' energy: -149.885
flat angles C4'-P-C4' energy: -133.164
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -31.198
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: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1034.567686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.567686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.567686 (E_RNA)
where:
Base-Base interactions energy: -577.496
where: short stacking energy: -309.670
Base-Backbone interact. energy: 1.409
local terms energy: -458.480967
where:
bonds (distance) C4'-P energy: -118.931
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -109.057
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -41.164
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: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2734.758024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.758024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.758024 (E_RNA)
where:
Base-Base interactions energy: -1883.249
where: short stacking energy: -790.598
Base-Backbone interact. energy: -5.145
local terms energy: -846.363763
where:
bonds (distance) C4'-P energy: -159.639
bonds (distance) P-C4' energy: -160.075
flat angles C4'-P-C4' energy: -181.799
flat angles P-C4'-P energy: -118.797
tors. eta vs tors. theta energy: -226.054
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: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2525.655992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.655992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.655992 (E_RNA)
where:
Base-Base interactions energy: -1706.443
where: short stacking energy: -741.586
Base-Backbone interact. energy: -1.990
local terms energy: -817.223227
where:
bonds (distance) C4'-P energy: -146.953
bonds (distance) P-C4' energy: -148.583
flat angles C4'-P-C4' energy: -178.257
flat angles P-C4'-P energy: -113.074
tors. eta vs tors. theta energy: -230.356
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2311.974148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.974148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.974148 (E_RNA)
where:
Base-Base interactions energy: -1546.383
where: short stacking energy: -667.612
Base-Backbone interact. energy: -1.235
local terms energy: -764.355491
where:
bonds (distance) C4'-P energy: -155.195
bonds (distance) P-C4' energy: -150.822
flat angles C4'-P-C4' energy: -157.716
flat angles P-C4'-P energy: -118.228
tors. eta vs tors. theta energy: -182.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2220.998830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.998830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.998830 (E_RNA)
where:
Base-Base interactions energy: -1492.167
where: short stacking energy: -658.381
Base-Backbone interact. energy: -1.309
local terms energy: -727.523092
where:
bonds (distance) C4'-P energy: -149.832
bonds (distance) P-C4' energy: -139.840
flat angles C4'-P-C4' energy: -154.467
flat angles P-C4'-P energy: -112.948
tors. eta vs tors. theta energy: -170.436
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: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2120.087048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.087048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.087048 (E_RNA)
where:
Base-Base interactions energy: -1390.266
where: short stacking energy: -630.422
Base-Backbone interact. energy: 1.173
local terms energy: -730.993823
where:
bonds (distance) C4'-P energy: -135.766
bonds (distance) P-C4' energy: -153.569
flat angles C4'-P-C4' energy: -164.500
flat angles P-C4'-P energy: -105.077
tors. eta vs tors. theta energy: -172.082
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: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1939.713067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.713067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.713067 (E_RNA)
where:
Base-Base interactions energy: -1253.771
where: short stacking energy: -539.321
Base-Backbone interact. energy: -1.467
local terms energy: -684.475374
where:
bonds (distance) C4'-P energy: -139.755
bonds (distance) P-C4' energy: -157.142
flat angles C4'-P-C4' energy: -156.527
flat angles P-C4'-P energy: -96.983
tors. eta vs tors. theta energy: -134.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1564.057708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.057708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.057708 (E_RNA)
where:
Base-Base interactions energy: -967.990
where: short stacking energy: -426.135
Base-Backbone interact. energy: -3.633
local terms energy: -592.434700
where:
bonds (distance) C4'-P energy: -132.661
bonds (distance) P-C4' energy: -150.898
flat angles C4'-P-C4' energy: -126.595
flat angles P-C4'-P energy: -98.067
tors. eta vs tors. theta energy: -84.213
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1377.576614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.576614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.576614 (E_RNA)
where:
Base-Base interactions energy: -839.555
where: short stacking energy: -411.415
Base-Backbone interact. energy: 2.688
local terms energy: -540.710068
where:
bonds (distance) C4'-P energy: -117.346
bonds (distance) P-C4' energy: -137.354
flat angles C4'-P-C4' energy: -138.300
flat angles P-C4'-P energy: -81.905
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: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1091.776581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.776581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.776581 (E_RNA)
where:
Base-Base interactions energy: -620.676
where: short stacking energy: -320.627
Base-Backbone interact. energy: -3.302
local terms energy: -467.797906
where:
bonds (distance) C4'-P energy: -123.302
bonds (distance) P-C4' energy: -123.077
flat angles C4'-P-C4' energy: -116.926
flat angles P-C4'-P energy: -67.619
tors. eta vs tors. theta energy: -36.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -940.340326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.340326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.340326 (E_RNA)
where:
Base-Base interactions energy: -479.185
where: short stacking energy: -261.035
Base-Backbone interact. energy: -4.329
local terms energy: -456.826370
where:
bonds (distance) C4'-P energy: -136.981
bonds (distance) P-C4' energy: -133.275
flat angles C4'-P-C4' energy: -124.066
flat angles P-C4'-P energy: -56.276
tors. eta vs tors. theta energy: -6.228
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: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2720.363316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.363316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.363316 (E_RNA)
where:
Base-Base interactions energy: -1847.072
where: short stacking energy: -785.975
Base-Backbone interact. energy: -1.581
local terms energy: -871.710827
where:
bonds (distance) C4'-P energy: -154.136
bonds (distance) P-C4' energy: -164.628
flat angles C4'-P-C4' energy: -179.993
flat angles P-C4'-P energy: -130.446
tors. eta vs tors. theta energy: -242.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2561.077478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.077478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.077478 (E_RNA)
where:
Base-Base interactions energy: -1725.923
where: short stacking energy: -798.871
Base-Backbone interact. energy: 1.392
local terms energy: -836.546408
where:
bonds (distance) C4'-P energy: -164.266
bonds (distance) P-C4' energy: -144.003
flat angles C4'-P-C4' energy: -175.484
flat angles P-C4'-P energy: -121.046
tors. eta vs tors. theta energy: -231.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2366.172472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.172472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.172472 (E_RNA)
where:
Base-Base interactions energy: -1584.702
where: short stacking energy: -697.215
Base-Backbone interact. energy: -5.075
local terms energy: -776.394757
where:
bonds (distance) C4'-P energy: -144.066
bonds (distance) P-C4' energy: -157.732
flat angles C4'-P-C4' energy: -175.774
flat angles P-C4'-P energy: -108.611
tors. eta vs tors. theta energy: -190.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2211.513422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.513422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.513422 (E_RNA)
where:
Base-Base interactions energy: -1482.639
where: short stacking energy: -661.574
Base-Backbone interact. energy: 1.491
local terms energy: -730.365127
where:
bonds (distance) C4'-P energy: -143.800
bonds (distance) P-C4' energy: -142.766
flat angles C4'-P-C4' energy: -164.600
flat angles P-C4'-P energy: -100.682
tors. eta vs tors. theta energy: -178.517
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: 176
Temperature: 1.100000
Total energy: -2079.213207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.213207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.213207 (E_RNA)
where:
Base-Base interactions energy: -1376.918
where: short stacking energy: -609.038
Base-Backbone interact. energy: 0.010
local terms energy: -702.305547
where:
bonds (distance) C4'-P energy: -149.195
bonds (distance) P-C4' energy: -147.713
flat angles C4'-P-C4' energy: -143.588
flat angles P-C4'-P energy: -112.602
tors. eta vs tors. theta energy: -149.207
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: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1893.720615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.720615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.720615 (E_RNA)
where:
Base-Base interactions energy: -1213.329
where: short stacking energy: -541.771
Base-Backbone interact. energy: -2.768
local terms energy: -677.623490
where:
bonds (distance) C4'-P energy: -141.415
bonds (distance) P-C4' energy: -140.208
flat angles C4'-P-C4' energy: -169.369
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -140.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1586.949132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.949132 (E_RNA)
where:
Base-Base interactions energy: -986.995
where: short stacking energy: -462.048
Base-Backbone interact. energy: 2.872
local terms energy: -602.826890
where:
bonds (distance) C4'-P energy: -134.735
bonds (distance) P-C4' energy: -139.973
flat angles C4'-P-C4' energy: -143.256
flat angles P-C4'-P energy: -80.743
tors. eta vs tors. theta energy: -104.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1363.579071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.579071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.579071 (E_RNA)
where:
Base-Base interactions energy: -810.883
where: short stacking energy: -412.619
Base-Backbone interact. energy: 3.618
local terms energy: -556.314390
where:
bonds (distance) C4'-P energy: -141.180
bonds (distance) P-C4' energy: -156.898
flat angles C4'-P-C4' energy: -114.629
flat angles P-C4'-P energy: -66.484
tors. eta vs tors. theta energy: -77.123
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1106.081659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.081659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.081659 (E_RNA)
where:
Base-Base interactions energy: -612.778
where: short stacking energy: -286.596
Base-Backbone interact. energy: -0.896
local terms energy: -492.407836
where:
bonds (distance) C4'-P energy: -123.168
bonds (distance) P-C4' energy: -145.624
flat angles C4'-P-C4' energy: -130.882
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -939.454291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.454291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.454291 (E_RNA)
where:
Base-Base interactions energy: -488.502
where: short stacking energy: -255.242
Base-Backbone interact. energy: -1.081
local terms energy: -449.871882
where:
bonds (distance) C4'-P energy: -118.449
bonds (distance) P-C4' energy: -116.273
flat angles C4'-P-C4' energy: -126.975
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2681.205329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.205329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.205329 (E_RNA)
where:
Base-Base interactions energy: -1828.683
where: short stacking energy: -768.617
Base-Backbone interact. energy: -2.663
local terms energy: -849.859524
where:
bonds (distance) C4'-P energy: -155.872
bonds (distance) P-C4' energy: -166.019
flat angles C4'-P-C4' energy: -184.476
flat angles P-C4'-P energy: -127.267
tors. eta vs tors. theta energy: -216.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2529.584752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.584752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.584752 (E_RNA)
where:
Base-Base interactions energy: -1702.086
where: short stacking energy: -729.241
Base-Backbone interact. energy: -1.762
local terms energy: -825.736663
where:
bonds (distance) C4'-P energy: -148.352
bonds (distance) P-C4' energy: -156.834
flat angles C4'-P-C4' energy: -179.513
flat angles P-C4'-P energy: -124.013
tors. eta vs tors. theta energy: -217.024
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: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2353.623960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.623960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.623960 (E_RNA)
where:
Base-Base interactions energy: -1564.099
where: short stacking energy: -661.140
Base-Backbone interact. energy: -0.561
local terms energy: -788.963244
where:
bonds (distance) C4'-P energy: -144.172
bonds (distance) P-C4' energy: -168.115
flat angles C4'-P-C4' energy: -170.786
flat angles P-C4'-P energy: -111.111
tors. eta vs tors. theta energy: -194.780
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: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2189.415507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.415507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.415507 (E_RNA)
where:
Base-Base interactions energy: -1448.316
where: short stacking energy: -647.597
Base-Backbone interact. energy: 1.121
local terms energy: -742.220706
where:
bonds (distance) C4'-P energy: -163.513
bonds (distance) P-C4' energy: -162.860
flat angles C4'-P-C4' energy: -143.435
flat angles P-C4'-P energy: -94.018
tors. eta vs tors. theta energy: -178.394
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: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2058.296748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.296748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.296748 (E_RNA)
where:
Base-Base interactions energy: -1330.687
where: short stacking energy: -586.761
Base-Backbone interact. energy: -2.836
local terms energy: -724.774240
where:
bonds (distance) C4'-P energy: -152.223
bonds (distance) P-C4' energy: -149.680
flat angles C4'-P-C4' energy: -160.051
flat angles P-C4'-P energy: -99.966
tors. eta vs tors. theta energy: -162.854
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: 177
Temperature: 1.150000
Total energy: -1909.219389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.219389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.219389 (E_RNA)
where:
Base-Base interactions energy: -1221.101
where: short stacking energy: -532.736
Base-Backbone interact. energy: 6.476
local terms energy: -694.594763
where:
bonds (distance) C4'-P energy: -125.026
bonds (distance) P-C4' energy: -147.899
flat angles C4'-P-C4' energy: -164.106
flat angles P-C4'-P energy: -114.848
tors. eta vs tors. theta energy: -142.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1597.214989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.214989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.214989 (E_RNA)
where:
Base-Base interactions energy: -1023.520
where: short stacking energy: -485.787
Base-Backbone interact. energy: -2.886
local terms energy: -570.809357
where:
bonds (distance) C4'-P energy: -111.861
bonds (distance) P-C4' energy: -133.532
flat angles C4'-P-C4' energy: -144.149
flat angles P-C4'-P energy: -85.024
tors. eta vs tors. theta energy: -96.244
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: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1352.840926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.840926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.840926 (E_RNA)
where:
Base-Base interactions energy: -778.689
where: short stacking energy: -352.855
Base-Backbone interact. energy: -1.435
local terms energy: -572.717038
where:
bonds (distance) C4'-P energy: -142.761
bonds (distance) P-C4' energy: -166.373
flat angles C4'-P-C4' energy: -129.563
flat angles P-C4'-P energy: -81.743
tors. eta vs tors. theta energy: -52.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1066.820688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.820688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.820688 (E_RNA)
where:
Base-Base interactions energy: -562.206
where: short stacking energy: -303.716
Base-Backbone interact. energy: -0.319
local terms energy: -504.296536
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -131.860
flat angles C4'-P-C4' energy: -143.526
flat angles P-C4'-P energy: -79.096
tors. eta vs tors. theta energy: -30.660
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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -952.823390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.823390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.823390 (E_RNA)
where:
Base-Base interactions energy: -536.703
where: short stacking energy: -266.103
Base-Backbone interact. energy: 5.338
local terms energy: -421.458620
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -135.474
flat angles C4'-P-C4' energy: -109.479
flat angles P-C4'-P energy: -49.398
tors. eta vs tors. theta energy: -22.384
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: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2687.234748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.234748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.234748 (E_RNA)
where:
Base-Base interactions energy: -1846.413
where: short stacking energy: -766.571
Base-Backbone interact. energy: -1.805
local terms energy: -839.017036
where:
bonds (distance) C4'-P energy: -155.123
bonds (distance) P-C4' energy: -179.860
flat angles C4'-P-C4' energy: -174.341
flat angles P-C4'-P energy: -109.514
tors. eta vs tors. theta energy: -220.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2554.903566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.903566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.903566 (E_RNA)
where:
Base-Base interactions energy: -1728.120
where: short stacking energy: -761.921
Base-Backbone interact. energy: -2.452
local terms energy: -824.332068
where:
bonds (distance) C4'-P energy: -150.658
bonds (distance) P-C4' energy: -143.996
flat angles C4'-P-C4' energy: -171.122
flat angles P-C4'-P energy: -125.337
tors. eta vs tors. theta energy: -233.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2312.217437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.217437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.217437 (E_RNA)
where:
Base-Base interactions energy: -1547.726
where: short stacking energy: -684.594
Base-Backbone interact. energy: -5.329
local terms energy: -759.162003
where:
bonds (distance) C4'-P energy: -144.514
bonds (distance) P-C4' energy: -151.514
flat angles C4'-P-C4' energy: -154.601
flat angles P-C4'-P energy: -117.106
tors. eta vs tors. theta energy: -191.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2180.308007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.308007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.308007 (E_RNA)
where:
Base-Base interactions energy: -1432.089
where: short stacking energy: -635.727
Base-Backbone interact. energy: -4.336
local terms energy: -743.882542
where:
bonds (distance) C4'-P energy: -146.040
bonds (distance) P-C4' energy: -147.885
flat angles C4'-P-C4' energy: -184.415
flat angles P-C4'-P energy: -101.484
tors. eta vs tors. theta energy: -164.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2043.410159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.410159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.410159 (E_RNA)
where:
Base-Base interactions energy: -1322.022
where: short stacking energy: -608.073
Base-Backbone interact. energy: -1.349
local terms energy: -720.038752
where:
bonds (distance) C4'-P energy: -157.831
bonds (distance) P-C4' energy: -146.565
flat angles C4'-P-C4' energy: -165.904
flat angles P-C4'-P energy: -78.981
tors. eta vs tors. theta energy: -170.758
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: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2060.178578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.178578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.178578 (E_RNA)
where:
Base-Base interactions energy: -1340.734
where: short stacking energy: -613.687
Base-Backbone interact. energy: -0.337
local terms energy: -719.107862
where:
bonds (distance) C4'-P energy: -149.680
bonds (distance) P-C4' energy: -149.503
flat angles C4'-P-C4' energy: -163.162
flat angles P-C4'-P energy: -98.778
tors. eta vs tors. theta energy: -157.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1510.664832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.664832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.664832 (E_RNA)
where:
Base-Base interactions energy: -932.769
where: short stacking energy: -432.303
Base-Backbone interact. energy: -1.368
local terms energy: -576.527396
where:
bonds (distance) C4'-P energy: -133.606
bonds (distance) P-C4' energy: -140.290
flat angles C4'-P-C4' energy: -120.989
flat angles P-C4'-P energy: -84.669
tors. eta vs tors. theta energy: -96.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1399.245686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.245686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.245686 (E_RNA)
where:
Base-Base interactions energy: -864.892
where: short stacking energy: -412.202
Base-Backbone interact. energy: 4.602
local terms energy: -538.955739
where:
bonds (distance) C4'-P energy: -140.829
bonds (distance) P-C4' energy: -137.352
flat angles C4'-P-C4' energy: -116.729
flat angles P-C4'-P energy: -82.056
tors. eta vs tors. theta energy: -61.990
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1062.661804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.661804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.661804 (E_RNA)
where:
Base-Base interactions energy: -548.945
where: short stacking energy: -306.740
Base-Backbone interact. energy: -2.150
local terms energy: -511.566276
where:
bonds (distance) C4'-P energy: -143.706
bonds (distance) P-C4' energy: -132.568
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -75.127
tors. eta vs tors. theta energy: -38.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -948.098493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.098493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.098493 (E_RNA)
where:
Base-Base interactions energy: -512.485
where: short stacking energy: -254.579
Base-Backbone interact. energy: 1.733
local terms energy: -437.346964
where:
bonds (distance) C4'-P energy: -108.918
bonds (distance) P-C4' energy: -147.744
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -67.803
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2699.637637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.637637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.637637 (E_RNA)
where:
Base-Base interactions energy: -1849.178
where: short stacking energy: -780.719
Base-Backbone interact. energy: -5.417
local terms energy: -845.042665
where:
bonds (distance) C4'-P energy: -155.793
bonds (distance) P-C4' energy: -158.968
flat angles C4'-P-C4' energy: -182.628
flat angles P-C4'-P energy: -118.636
tors. eta vs tors. theta energy: -229.019
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2527.260668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.260668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.260668 (E_RNA)
where:
Base-Base interactions energy: -1681.526
where: short stacking energy: -759.361
Base-Backbone interact. energy: -4.026
local terms energy: -841.708505
where:
bonds (distance) C4'-P energy: -163.930
bonds (distance) P-C4' energy: -147.590
flat angles C4'-P-C4' energy: -175.580
flat angles P-C4'-P energy: -128.739
tors. eta vs tors. theta energy: -225.869
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: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2376.395600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.395600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.395600 (E_RNA)
where:
Base-Base interactions energy: -1616.824
where: short stacking energy: -707.606
Base-Backbone interact. energy: -0.412
local terms energy: -759.159511
where:
bonds (distance) C4'-P energy: -133.699
bonds (distance) P-C4' energy: -142.299
flat angles C4'-P-C4' energy: -169.519
flat angles P-C4'-P energy: -115.311
tors. eta vs tors. theta energy: -198.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2215.293874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.293874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.293874 (E_RNA)
where:
Base-Base interactions energy: -1484.032
where: short stacking energy: -646.507
Base-Backbone interact. energy: 0.032
local terms energy: -731.294202
where:
bonds (distance) C4'-P energy: -147.052
bonds (distance) P-C4' energy: -145.635
flat angles C4'-P-C4' energy: -171.805
flat angles P-C4'-P energy: -99.220
tors. eta vs tors. theta energy: -167.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2063.827413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.827413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.827413 (E_RNA)
where:
Base-Base interactions energy: -1350.019
where: short stacking energy: -625.415
Base-Backbone interact. energy: -0.933
local terms energy: -712.875897
where:
bonds (distance) C4'-P energy: -143.487
bonds (distance) P-C4' energy: -150.220
flat angles C4'-P-C4' energy: -144.264
flat angles P-C4'-P energy: -99.068
tors. eta vs tors. theta energy: -175.836
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: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1958.621721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.621721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.621721 (E_RNA)
where:
Base-Base interactions energy: -1282.900
where: short stacking energy: -580.433
Base-Backbone interact. energy: -4.789
local terms energy: -670.932413
where:
bonds (distance) C4'-P energy: -137.871
bonds (distance) P-C4' energy: -130.045
flat angles C4'-P-C4' energy: -153.158
flat angles P-C4'-P energy: -96.410
tors. eta vs tors. theta energy: -153.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1546.817074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.817074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.817074 (E_RNA)
where:
Base-Base interactions energy: -939.295
where: short stacking energy: -457.938
Base-Backbone interact. energy: -2.395
local terms energy: -605.127264
where:
bonds (distance) C4'-P energy: -124.647
bonds (distance) P-C4' energy: -153.178
flat angles C4'-P-C4' energy: -152.523
flat angles P-C4'-P energy: -85.030
tors. eta vs tors. theta energy: -89.749
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: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1319.420152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.420152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.420152 (E_RNA)
where:
Base-Base interactions energy: -785.791
where: short stacking energy: -360.099
Base-Backbone interact. energy: 0.748
local terms energy: -534.377586
where:
bonds (distance) C4'-P energy: -145.485
bonds (distance) P-C4' energy: -118.207
flat angles C4'-P-C4' energy: -135.033
flat angles P-C4'-P energy: -81.317
tors. eta vs tors. theta energy: -54.335
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: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1075.981952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.981952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.981952 (E_RNA)
where:
Base-Base interactions energy: -558.783
where: short stacking energy: -297.369
Base-Backbone interact. energy: 1.762
local terms energy: -518.960894
where:
bonds (distance) C4'-P energy: -130.521
bonds (distance) P-C4' energy: -145.431
flat angles C4'-P-C4' energy: -142.310
flat angles P-C4'-P energy: -89.641
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -942.462717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.462717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.462717 (E_RNA)
where:
Base-Base interactions energy: -527.524
where: short stacking energy: -260.598
Base-Backbone interact. energy: -2.799
local terms energy: -412.140165
where:
bonds (distance) C4'-P energy: -130.186
bonds (distance) P-C4' energy: -123.391
flat angles C4'-P-C4' energy: -100.836
flat angles P-C4'-P energy: -66.294
tors. eta vs tors. theta energy: 8.567
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: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2703.419137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.419137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.419137 (E_RNA)
where:
Base-Base interactions energy: -1853.885
where: short stacking energy: -800.932
Base-Backbone interact. energy: -1.424
local terms energy: -848.109724
where:
bonds (distance) C4'-P energy: -168.450
bonds (distance) P-C4' energy: -154.956
flat angles C4'-P-C4' energy: -175.303
flat angles P-C4'-P energy: -117.621
tors. eta vs tors. theta energy: -231.780
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2526.076277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.076277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.076277 (E_RNA)
where:
Base-Base interactions energy: -1702.527
where: short stacking energy: -752.633
Base-Backbone interact. energy: -2.241
local terms energy: -821.308290
where:
bonds (distance) C4'-P energy: -153.108
bonds (distance) P-C4' energy: -161.244
flat angles C4'-P-C4' energy: -171.887
flat angles P-C4'-P energy: -108.543
tors. eta vs tors. theta energy: -226.526
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: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2367.318324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.318324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.318324 (E_RNA)
where:
Base-Base interactions energy: -1588.938
where: short stacking energy: -683.502
Base-Backbone interact. energy: 4.851
local terms energy: -783.231316
where:
bonds (distance) C4'-P energy: -151.796
bonds (distance) P-C4' energy: -169.351
flat angles C4'-P-C4' energy: -171.663
flat angles P-C4'-P energy: -103.187
tors. eta vs tors. theta energy: -187.235
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: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2244.992892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.992892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.992892 (E_RNA)
where:
Base-Base interactions energy: -1534.241
where: short stacking energy: -640.887
Base-Backbone interact. energy: -0.552
local terms energy: -710.199778
where:
bonds (distance) C4'-P energy: -135.675
bonds (distance) P-C4' energy: -149.227
flat angles C4'-P-C4' energy: -159.745
flat angles P-C4'-P energy: -96.153
tors. eta vs tors. theta energy: -169.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2074.859891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.859891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.859891 (E_RNA)
where:
Base-Base interactions energy: -1367.935
where: short stacking energy: -599.954
Base-Backbone interact. energy: -1.754
local terms energy: -705.170715
where:
bonds (distance) C4'-P energy: -120.125
bonds (distance) P-C4' energy: -146.189
flat angles C4'-P-C4' energy: -165.957
flat angles P-C4'-P energy: -97.201
tors. eta vs tors. theta energy: -175.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2022.603474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.603474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.603474 (E_RNA)
where:
Base-Base interactions energy: -1364.934
where: short stacking energy: -604.737
Base-Backbone interact. energy: -1.272
local terms energy: -656.397573
where:
bonds (distance) C4'-P energy: -118.466
bonds (distance) P-C4' energy: -148.259
flat angles C4'-P-C4' energy: -137.600
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -153.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1443.161942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.161942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.161942 (E_RNA)
where:
Base-Base interactions energy: -898.837
where: short stacking energy: -404.105
Base-Backbone interact. energy: 3.175
local terms energy: -547.499904
where:
bonds (distance) C4'-P energy: -140.034
bonds (distance) P-C4' energy: -123.356
flat angles C4'-P-C4' energy: -138.688
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -65.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1343.727050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.727050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.727050 (E_RNA)
where:
Base-Base interactions energy: -813.237
where: short stacking energy: -399.788
Base-Backbone interact. energy: 8.721
local terms energy: -539.210437
where:
bonds (distance) C4'-P energy: -129.579
bonds (distance) P-C4' energy: -137.010
flat angles C4'-P-C4' energy: -121.777
flat angles P-C4'-P energy: -68.755
tors. eta vs tors. theta energy: -82.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1073.026697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.026697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.026697 (E_RNA)
where:
Base-Base interactions energy: -613.998
where: short stacking energy: -315.056
Base-Backbone interact. energy: 7.935
local terms energy: -466.964079
where:
bonds (distance) C4'-P energy: -124.169
bonds (distance) P-C4' energy: -114.416
flat angles C4'-P-C4' energy: -114.862
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -936.670343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.670343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.670343 (E_RNA)
where:
Base-Base interactions energy: -465.505
where: short stacking energy: -231.346
Base-Backbone interact. energy: -0.895
local terms energy: -470.269852
where:
bonds (distance) C4'-P energy: -141.695
bonds (distance) P-C4' energy: -135.726
flat angles C4'-P-C4' energy: -108.783
flat angles P-C4'-P energy: -86.356
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2711.947935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.947935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.947935 (E_RNA)
where:
Base-Base interactions energy: -1883.921
where: short stacking energy: -813.693
Base-Backbone interact. energy: 0.093
local terms energy: -828.119786
where:
bonds (distance) C4'-P energy: -156.309
bonds (distance) P-C4' energy: -158.551
flat angles C4'-P-C4' energy: -174.375
flat angles P-C4'-P energy: -111.317
tors. eta vs tors. theta energy: -227.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2548.573600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.573600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.573600 (E_RNA)
where:
Base-Base interactions energy: -1700.563
where: short stacking energy: -739.913
Base-Backbone interact. energy: -2.030
local terms energy: -845.980633
where:
bonds (distance) C4'-P energy: -151.394
bonds (distance) P-C4' energy: -160.278
flat angles C4'-P-C4' energy: -182.617
flat angles P-C4'-P energy: -119.556
tors. eta vs tors. theta energy: -232.134
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2345.253830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.253830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.253830 (E_RNA)
where:
Base-Base interactions energy: -1572.080
where: short stacking energy: -700.845
Base-Backbone interact. energy: -3.600
local terms energy: -769.573668
where:
bonds (distance) C4'-P energy: -151.891
bonds (distance) P-C4' energy: -159.020
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -104.574
tors. eta vs tors. theta energy: -187.556
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: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2206.822529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.822529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.822529 (E_RNA)
where:
Base-Base interactions energy: -1455.465
where: short stacking energy: -621.333
Base-Backbone interact. energy: -0.346
local terms energy: -751.011403
where:
bonds (distance) C4'-P energy: -157.571
bonds (distance) P-C4' energy: -152.825
flat angles C4'-P-C4' energy: -158.731
flat angles P-C4'-P energy: -112.548
tors. eta vs tors. theta energy: -169.337
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: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2082.148416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.148416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.148416 (E_RNA)
where:
Base-Base interactions energy: -1362.132
where: short stacking energy: -602.520
Base-Backbone interact. energy: -3.666
local terms energy: -716.349913
where:
bonds (distance) C4'-P energy: -122.885
bonds (distance) P-C4' energy: -134.165
flat angles C4'-P-C4' energy: -178.720
flat angles P-C4'-P energy: -108.774
tors. eta vs tors. theta energy: -171.806
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: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2008.637909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.637909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.637909 (E_RNA)
where:
Base-Base interactions energy: -1321.062
where: short stacking energy: -566.389
Base-Backbone interact. energy: -3.223
local terms energy: -684.353574
where:
bonds (distance) C4'-P energy: -137.014
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -158.750
flat angles P-C4'-P energy: -100.905
tors. eta vs tors. theta energy: -152.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1449.117391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.117391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.117391 (E_RNA)
where:
Base-Base interactions energy: -871.253
where: short stacking energy: -434.331
Base-Backbone interact. energy: -1.850
local terms energy: -576.014558
where:
bonds (distance) C4'-P energy: -143.698
bonds (distance) P-C4' energy: -137.503
flat angles C4'-P-C4' energy: -139.386
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -66.329
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1340.913989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.913989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.913989 (E_RNA)
where:
Base-Base interactions energy: -811.475
where: short stacking energy: -379.353
Base-Backbone interact. energy: -2.128
local terms energy: -527.310410
where:
bonds (distance) C4'-P energy: -126.381
bonds (distance) P-C4' energy: -132.696
flat angles C4'-P-C4' energy: -105.083
flat angles P-C4'-P energy: -104.511
tors. eta vs tors. theta energy: -58.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1081.474630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.474630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.474630 (E_RNA)
where:
Base-Base interactions energy: -564.851
where: short stacking energy: -295.419
Base-Backbone interact. energy: 3.087
local terms energy: -519.710225
where:
bonds (distance) C4'-P energy: -134.153
bonds (distance) P-C4' energy: -134.969
flat angles C4'-P-C4' energy: -145.559
flat angles P-C4'-P energy: -84.089
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -950.860447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.860447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.860447 (E_RNA)
where:
Base-Base interactions energy: -489.747
where: short stacking energy: -268.320
Base-Backbone interact. energy: -1.058
local terms energy: -460.054461
where:
bonds (distance) C4'-P energy: -113.559
bonds (distance) P-C4' energy: -159.549
flat angles C4'-P-C4' energy: -117.658
flat angles P-C4'-P energy: -55.470
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2711.585470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.585470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.585470 (E_RNA)
where:
Base-Base interactions energy: -1856.898
where: short stacking energy: -793.607
Base-Backbone interact. energy: -6.491
local terms energy: -848.196448
where:
bonds (distance) C4'-P energy: -151.910
bonds (distance) P-C4' energy: -177.891
flat angles C4'-P-C4' energy: -166.380
flat angles P-C4'-P energy: -122.931
tors. eta vs tors. theta energy: -229.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2555.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.122294 (E_RNA)
where:
Base-Base interactions energy: -1685.057
where: short stacking energy: -742.495
Base-Backbone interact. energy: -1.629
local terms energy: -868.436087
where:
bonds (distance) C4'-P energy: -173.792
bonds (distance) P-C4' energy: -166.165
flat angles C4'-P-C4' energy: -180.090
flat angles P-C4'-P energy: -121.415
tors. eta vs tors. theta energy: -226.975
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2331.257423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.257423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.257423 (E_RNA)
where:
Base-Base interactions energy: -1555.362
where: short stacking energy: -654.284
Base-Backbone interact. energy: -1.149
local terms energy: -774.746666
where:
bonds (distance) C4'-P energy: -136.652
bonds (distance) P-C4' energy: -164.737
flat angles C4'-P-C4' energy: -179.146
flat angles P-C4'-P energy: -117.265
tors. eta vs tors. theta energy: -176.947
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: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2249.602220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.602220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.602220 (E_RNA)
where:
Base-Base interactions energy: -1493.978
where: short stacking energy: -620.231
Base-Backbone interact. energy: -3.112
local terms energy: -752.512371
where:
bonds (distance) C4'-P energy: -159.061
bonds (distance) P-C4' energy: -130.761
flat angles C4'-P-C4' energy: -178.796
flat angles P-C4'-P energy: -112.122
tors. eta vs tors. theta energy: -171.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2131.981831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.981831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.981831 (E_RNA)
where:
Base-Base interactions energy: -1390.201
where: short stacking energy: -625.668
Base-Backbone interact. energy: -0.479
local terms energy: -741.301779
where:
bonds (distance) C4'-P energy: -155.895
bonds (distance) P-C4' energy: -132.846
flat angles C4'-P-C4' energy: -173.590
flat angles P-C4'-P energy: -95.862
tors. eta vs tors. theta energy: -183.108
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: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2090.346707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.346707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.346707 (E_RNA)
where:
Base-Base interactions energy: -1365.917
where: short stacking energy: -601.083
Base-Backbone interact. energy: 1.552
local terms energy: -725.981475
where:
bonds (distance) C4'-P energy: -144.623
bonds (distance) P-C4' energy: -155.122
flat angles C4'-P-C4' energy: -165.074
flat angles P-C4'-P energy: -97.442
tors. eta vs tors. theta energy: -163.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1513.442866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.442866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.442866 (E_RNA)
where:
Base-Base interactions energy: -936.131
where: short stacking energy: -424.170
Base-Backbone interact. energy: -1.890
local terms energy: -575.421729
where:
bonds (distance) C4'-P energy: -116.183
bonds (distance) P-C4' energy: -147.951
flat angles C4'-P-C4' energy: -140.346
flat angles P-C4'-P energy: -77.996
tors. eta vs tors. theta energy: -92.946
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1335.936537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.936537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.936537 (E_RNA)
where:
Base-Base interactions energy: -794.956
where: short stacking energy: -377.814
Base-Backbone interact. energy: -3.171
local terms energy: -537.809417
where:
bonds (distance) C4'-P energy: -134.334
bonds (distance) P-C4' energy: -134.152
flat angles C4'-P-C4' energy: -127.913
flat angles P-C4'-P energy: -78.470
tors. eta vs tors. theta energy: -62.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1087.889626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.889626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.889626 (E_RNA)
where:
Base-Base interactions energy: -594.196
where: short stacking energy: -291.915
Base-Backbone interact. energy: -5.901
local terms energy: -487.792521
where:
bonds (distance) C4'-P energy: -120.010
bonds (distance) P-C4' energy: -144.342
flat angles C4'-P-C4' energy: -125.500
flat angles P-C4'-P energy: -81.013
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -983.058885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.058885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.058885 (E_RNA)
where:
Base-Base interactions energy: -497.949
where: short stacking energy: -229.081
Base-Backbone interact. energy: 2.973
local terms energy: -488.082727
where:
bonds (distance) C4'-P energy: -134.003
bonds (distance) P-C4' energy: -143.171
flat angles C4'-P-C4' energy: -128.047
flat angles P-C4'-P energy: -73.475
tors. eta vs tors. theta energy: -9.386
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: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2724.239084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.239084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.239084 (E_RNA)
where:
Base-Base interactions energy: -1874.698
where: short stacking energy: -827.082
Base-Backbone interact. energy: -3.828
local terms energy: -845.713506
where:
bonds (distance) C4'-P energy: -149.028
bonds (distance) P-C4' energy: -169.944
flat angles C4'-P-C4' energy: -186.549
flat angles P-C4'-P energy: -101.288
tors. eta vs tors. theta energy: -238.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2542.307351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.307351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.307351 (E_RNA)
where:
Base-Base interactions energy: -1681.741
where: short stacking energy: -774.459
Base-Backbone interact. energy: -1.476
local terms energy: -859.089871
where:
bonds (distance) C4'-P energy: -152.819
bonds (distance) P-C4' energy: -150.721
flat angles C4'-P-C4' energy: -190.466
flat angles P-C4'-P energy: -129.125
tors. eta vs tors. theta energy: -235.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2331.052376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.052376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.052376 (E_RNA)
where:
Base-Base interactions energy: -1557.093
where: short stacking energy: -665.887
Base-Backbone interact. energy: -2.436
local terms energy: -771.523999
where:
bonds (distance) C4'-P energy: -142.001
bonds (distance) P-C4' energy: -167.801
flat angles C4'-P-C4' energy: -170.216
flat angles P-C4'-P energy: -109.445
tors. eta vs tors. theta energy: -182.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2280.891713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.891713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.891713 (E_RNA)
where:
Base-Base interactions energy: -1522.821
where: short stacking energy: -659.142
Base-Backbone interact. energy: -2.289
local terms energy: -755.782251
where:
bonds (distance) C4'-P energy: -143.776
bonds (distance) P-C4' energy: -143.087
flat angles C4'-P-C4' energy: -173.748
flat angles P-C4'-P energy: -107.210
tors. eta vs tors. theta energy: -187.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2074.364005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.364005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.364005 (E_RNA)
where:
Base-Base interactions energy: -1342.141
where: short stacking energy: -652.218
Base-Backbone interact. energy: -0.293
local terms energy: -731.930446
where:
bonds (distance) C4'-P energy: -135.983
bonds (distance) P-C4' energy: -163.389
flat angles C4'-P-C4' energy: -153.442
flat angles P-C4'-P energy: -95.941
tors. eta vs tors. theta energy: -183.175
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: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2071.565102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.565102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.565102 (E_RNA)
where:
Base-Base interactions energy: -1380.958
where: short stacking energy: -595.601
Base-Backbone interact. energy: -0.267
local terms energy: -690.339878
where:
bonds (distance) C4'-P energy: -128.619
bonds (distance) P-C4' energy: -146.925
flat angles C4'-P-C4' energy: -145.241
flat angles P-C4'-P energy: -103.224
tors. eta vs tors. theta energy: -166.331
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: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1426.277455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.277455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.277455 (E_RNA)
where:
Base-Base interactions energy: -876.156
where: short stacking energy: -413.328
Base-Backbone interact. energy: 1.751
local terms energy: -551.872338
where:
bonds (distance) C4'-P energy: -141.748
bonds (distance) P-C4' energy: -152.445
flat angles C4'-P-C4' energy: -130.145
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: -58.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1377.168742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.168742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.168742 (E_RNA)
where:
Base-Base interactions energy: -820.388
where: short stacking energy: -404.717
Base-Backbone interact. energy: 0.761
local terms energy: -557.541425
where:
bonds (distance) C4'-P energy: -133.764
bonds (distance) P-C4' energy: -141.265
flat angles C4'-P-C4' energy: -134.806
flat angles P-C4'-P energy: -80.970
tors. eta vs tors. theta energy: -66.737
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: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1244.107839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.107839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.107839 (E_RNA)
where:
Base-Base interactions energy: -714.364
where: short stacking energy: -344.255
Base-Backbone interact. energy: 2.479
local terms energy: -532.222383
where:
bonds (distance) C4'-P energy: -129.317
bonds (distance) P-C4' energy: -158.681
flat angles C4'-P-C4' energy: -125.784
flat angles P-C4'-P energy: -87.277
tors. eta vs tors. theta energy: -31.163
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: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -929.067771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.067771 (E_RNA)
where:
Base-Base interactions energy: -490.716
where: short stacking energy: -235.360
Base-Backbone interact. energy: 0.834
local terms energy: -439.186561
where:
bonds (distance) C4'-P energy: -124.128
bonds (distance) P-C4' energy: -142.527
flat angles C4'-P-C4' energy: -97.171
flat angles P-C4'-P energy: -69.831
tors. eta vs tors. theta energy: -5.530
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: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2714.347266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.347266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.347266 (E_RNA)
where:
Base-Base interactions energy: -1855.338
where: short stacking energy: -801.130
Base-Backbone interact. energy: -3.759
local terms energy: -855.250484
where:
bonds (distance) C4'-P energy: -147.910
bonds (distance) P-C4' energy: -166.376
flat angles C4'-P-C4' energy: -185.707
flat angles P-C4'-P energy: -120.651
tors. eta vs tors. theta energy: -234.607
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2564.974814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.974814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.974814 (E_RNA)
where:
Base-Base interactions energy: -1732.328
where: short stacking energy: -751.312
Base-Backbone interact. energy: -2.961
local terms energy: -829.686153
where:
bonds (distance) C4'-P energy: -158.558
bonds (distance) P-C4' energy: -143.869
flat angles C4'-P-C4' energy: -190.370
flat angles P-C4'-P energy: -111.193
tors. eta vs tors. theta energy: -225.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2384.042888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.042888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.042888 (E_RNA)
where:
Base-Base interactions energy: -1563.236
where: short stacking energy: -669.362
Base-Backbone interact. energy: -2.795
local terms energy: -818.011457
where:
bonds (distance) C4'-P energy: -157.684
bonds (distance) P-C4' energy: -165.078
flat angles C4'-P-C4' energy: -165.815
flat angles P-C4'-P energy: -120.104
tors. eta vs tors. theta energy: -209.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2268.860459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.860459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.860459 (E_RNA)
where:
Base-Base interactions energy: -1528.721
where: short stacking energy: -660.526
Base-Backbone interact. energy: -2.077
local terms energy: -738.062349
where:
bonds (distance) C4'-P energy: -140.028
bonds (distance) P-C4' energy: -151.649
flat angles C4'-P-C4' energy: -165.940
flat angles P-C4'-P energy: -99.941
tors. eta vs tors. theta energy: -180.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2110.223476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.223476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.223476 (E_RNA)
where:
Base-Base interactions energy: -1374.080
where: short stacking energy: -625.431
Base-Backbone interact. energy: 1.029
local terms energy: -737.172919
where:
bonds (distance) C4'-P energy: -160.358
bonds (distance) P-C4' energy: -142.480
flat angles C4'-P-C4' energy: -155.826
flat angles P-C4'-P energy: -101.455
tors. eta vs tors. theta energy: -177.054
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: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2019.106821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.106821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.106821 (E_RNA)
where:
Base-Base interactions energy: -1334.614
where: short stacking energy: -601.725
Base-Backbone interact. energy: -4.396
local terms energy: -680.097219
where:
bonds (distance) C4'-P energy: -145.937
bonds (distance) P-C4' energy: -135.085
flat angles C4'-P-C4' energy: -150.994
flat angles P-C4'-P energy: -93.393
tors. eta vs tors. theta energy: -154.688
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: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1509.024227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.024227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.024227 (E_RNA)
where:
Base-Base interactions energy: -904.776
where: short stacking energy: -432.222
Base-Backbone interact. energy: 2.696
local terms energy: -606.943945
where:
bonds (distance) C4'-P energy: -136.460
bonds (distance) P-C4' energy: -134.850
flat angles C4'-P-C4' energy: -145.770
flat angles P-C4'-P energy: -94.103
tors. eta vs tors. theta energy: -95.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1209.578474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.578474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.578474 (E_RNA)
where:
Base-Base interactions energy: -693.933
where: short stacking energy: -347.998
Base-Backbone interact. energy: 0.034
local terms energy: -515.679625
where:
bonds (distance) C4'-P energy: -118.163
bonds (distance) P-C4' energy: -135.078
flat angles C4'-P-C4' energy: -147.563
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1195.753106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.753106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.753106 (E_RNA)
where:
Base-Base interactions energy: -733.212
where: short stacking energy: -341.294
Base-Backbone interact. energy: 4.905
local terms energy: -467.445682
where:
bonds (distance) C4'-P energy: -140.206
bonds (distance) P-C4' energy: -119.832
flat angles C4'-P-C4' energy: -116.420
flat angles P-C4'-P energy: -59.947
tors. eta vs tors. theta energy: -31.042
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: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -943.185706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.185706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.185706 (E_RNA)
where:
Base-Base interactions energy: -488.492
where: short stacking energy: -251.752
Base-Backbone interact. energy: 9.281
local terms energy: -463.974285
where:
bonds (distance) C4'-P energy: -134.102
bonds (distance) P-C4' energy: -138.110
flat angles C4'-P-C4' energy: -110.040
flat angles P-C4'-P energy: -64.252
tors. eta vs tors. theta energy: -17.471
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: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2754.129192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.129192 (E_RNA)
where:
Base-Base interactions energy: -1889.571
where: short stacking energy: -810.674
Base-Backbone interact. energy: -2.154
local terms energy: -862.403941
where:
bonds (distance) C4'-P energy: -166.251
bonds (distance) P-C4' energy: -169.087
flat angles C4'-P-C4' energy: -179.178
flat angles P-C4'-P energy: -125.440
tors. eta vs tors. theta energy: -222.447
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: 185
Temperature: 0.950000
Total energy: -2563.890728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.890728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.890728 (E_RNA)
where:
Base-Base interactions energy: -1727.494
where: short stacking energy: -764.474
Base-Backbone interact. energy: -3.363
local terms energy: -833.033704
where:
bonds (distance) C4'-P energy: -151.872
bonds (distance) P-C4' energy: -151.635
flat angles C4'-P-C4' energy: -173.771
flat angles P-C4'-P energy: -122.949
tors. eta vs tors. theta energy: -232.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2394.536988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.536988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.536988 (E_RNA)
where:
Base-Base interactions energy: -1620.929
where: short stacking energy: -709.547
Base-Backbone interact. energy: -1.380
local terms energy: -772.228671
where:
bonds (distance) C4'-P energy: -146.480
bonds (distance) P-C4' energy: -154.791
flat angles C4'-P-C4' energy: -171.782
flat angles P-C4'-P energy: -108.252
tors. eta vs tors. theta energy: -190.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2313.804210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.804210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.804210 (E_RNA)
where:
Base-Base interactions energy: -1568.829
where: short stacking energy: -659.873
Base-Backbone interact. energy: -2.633
local terms energy: -742.342033
where:
bonds (distance) C4'-P energy: -129.600
bonds (distance) P-C4' energy: -155.053
flat angles C4'-P-C4' energy: -164.212
flat angles P-C4'-P energy: -106.304
tors. eta vs tors. theta energy: -187.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2176.864517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.864517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.864517 (E_RNA)
where:
Base-Base interactions energy: -1419.954
where: short stacking energy: -630.177
Base-Backbone interact. energy: -3.234
local terms energy: -753.675801
where:
bonds (distance) C4'-P energy: -131.953
bonds (distance) P-C4' energy: -162.278
flat angles C4'-P-C4' energy: -173.600
flat angles P-C4'-P energy: -110.159
tors. eta vs tors. theta energy: -175.686
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: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1955.591711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.591711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.591711 (E_RNA)
where:
Base-Base interactions energy: -1271.604
where: short stacking energy: -562.300
Base-Backbone interact. energy: 3.924
local terms energy: -687.911780
where:
bonds (distance) C4'-P energy: -145.395
bonds (distance) P-C4' energy: -148.333
flat angles C4'-P-C4' energy: -154.574
flat angles P-C4'-P energy: -99.144
tors. eta vs tors. theta energy: -140.465
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1456.739359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.739359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.739359 (E_RNA)
where:
Base-Base interactions energy: -880.960
where: short stacking energy: -422.187
Base-Backbone interact. energy: 4.181
local terms energy: -579.960416
where:
bonds (distance) C4'-P energy: -142.036
bonds (distance) P-C4' energy: -131.821
flat angles C4'-P-C4' energy: -149.335
flat angles P-C4'-P energy: -80.230
tors. eta vs tors. theta energy: -76.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1271.058789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.058789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.058789 (E_RNA)
where:
Base-Base interactions energy: -725.703
where: short stacking energy: -370.647
Base-Backbone interact. energy: 3.552
local terms energy: -548.908174
where:
bonds (distance) C4'-P energy: -127.189
bonds (distance) P-C4' energy: -140.133
flat angles C4'-P-C4' energy: -135.175
flat angles P-C4'-P energy: -89.369
tors. eta vs tors. theta energy: -57.042
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1130.592840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.592840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.592840 (E_RNA)
where:
Base-Base interactions energy: -672.451
where: short stacking energy: -353.532
Base-Backbone interact. energy: 0.521
local terms energy: -458.663134
where:
bonds (distance) C4'-P energy: -136.022
bonds (distance) P-C4' energy: -111.433
flat angles C4'-P-C4' energy: -134.200
flat angles P-C4'-P energy: -58.282
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -943.582412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.582412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.582412 (E_RNA)
where:
Base-Base interactions energy: -484.125
where: short stacking energy: -269.730
Base-Backbone interact. energy: 4.433
local terms energy: -463.890071
where:
bonds (distance) C4'-P energy: -134.739
bonds (distance) P-C4' energy: -131.347
flat angles C4'-P-C4' energy: -124.654
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -25.430
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: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2705.418447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.418447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.418447 (E_RNA)
where:
Base-Base interactions energy: -1851.705
where: short stacking energy: -775.207
Base-Backbone interact. energy: -4.897
local terms energy: -848.816620
where:
bonds (distance) C4'-P energy: -154.294
bonds (distance) P-C4' energy: -180.147
flat angles C4'-P-C4' energy: -179.134
flat angles P-C4'-P energy: -116.719
tors. eta vs tors. theta energy: -218.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2533.873977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.873977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.873977 (E_RNA)
where:
Base-Base interactions energy: -1673.526
where: short stacking energy: -746.713
Base-Backbone interact. energy: -0.120
local terms energy: -860.227397
where:
bonds (distance) C4'-P energy: -154.830
bonds (distance) P-C4' energy: -175.085
flat angles C4'-P-C4' energy: -178.046
flat angles P-C4'-P energy: -113.022
tors. eta vs tors. theta energy: -239.244
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: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2415.344457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.344457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.344457 (E_RNA)
where:
Base-Base interactions energy: -1641.076
where: short stacking energy: -705.209
Base-Backbone interact. energy: -3.289
local terms energy: -770.979392
where:
bonds (distance) C4'-P energy: -146.485
bonds (distance) P-C4' energy: -155.847
flat angles C4'-P-C4' energy: -165.553
flat angles P-C4'-P energy: -108.522
tors. eta vs tors. theta energy: -194.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2277.222678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.222678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.222678 (E_RNA)
where:
Base-Base interactions energy: -1513.684
where: short stacking energy: -669.925
Base-Backbone interact. energy: -3.353
local terms energy: -760.186072
where:
bonds (distance) C4'-P energy: -157.877
bonds (distance) P-C4' energy: -165.626
flat angles C4'-P-C4' energy: -162.891
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -195.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2191.346190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.346190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.346190 (E_RNA)
where:
Base-Base interactions energy: -1451.585
where: short stacking energy: -596.012
Base-Backbone interact. energy: -0.174
local terms energy: -739.586950
where:
bonds (distance) C4'-P energy: -156.145
bonds (distance) P-C4' energy: -150.747
flat angles C4'-P-C4' energy: -144.098
flat angles P-C4'-P energy: -102.534
tors. eta vs tors. theta energy: -186.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2010.183724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.183724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.183724 (E_RNA)
where:
Base-Base interactions energy: -1336.233
where: short stacking energy: -585.750
Base-Backbone interact. energy: 3.959
local terms energy: -677.909333
where:
bonds (distance) C4'-P energy: -157.533
bonds (distance) P-C4' energy: -131.282
flat angles C4'-P-C4' energy: -143.388
flat angles P-C4'-P energy: -102.963
tors. eta vs tors. theta energy: -142.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1480.827021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.827021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.827021 (E_RNA)
where:
Base-Base interactions energy: -898.169
where: short stacking energy: -421.540
Base-Backbone interact. energy: -1.450
local terms energy: -581.208488
where:
bonds (distance) C4'-P energy: -132.991
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -139.273
flat angles P-C4'-P energy: -103.762
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1266.041911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.041911 (E_RNA)
where:
Base-Base interactions energy: -752.987
where: short stacking energy: -368.084
Base-Backbone interact. energy: 0.650
local terms energy: -513.705313
where:
bonds (distance) C4'-P energy: -128.701
bonds (distance) P-C4' energy: -144.917
flat angles C4'-P-C4' energy: -132.351
flat angles P-C4'-P energy: -61.781
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1130.136296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.136296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.136296 (E_RNA)
where:
Base-Base interactions energy: -655.408
where: short stacking energy: -334.703
Base-Backbone interact. energy: 4.535
local terms energy: -479.262507
where:
bonds (distance) C4'-P energy: -113.100
bonds (distance) P-C4' energy: -139.169
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -76.674
tors. eta vs tors. theta energy: -41.708
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: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -964.815801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.815801 (E_RNA)
where:
Base-Base interactions energy: -521.562
where: short stacking energy: -296.278
Base-Backbone interact. energy: -0.780
local terms energy: -442.473962
where:
bonds (distance) C4'-P energy: -115.802
bonds (distance) P-C4' energy: -131.084
flat angles C4'-P-C4' energy: -110.164
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2702.786017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.786017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.786017 (E_RNA)
where:
Base-Base interactions energy: -1854.502
where: short stacking energy: -808.697
Base-Backbone interact. energy: -2.576
local terms energy: -845.708213
where:
bonds (distance) C4'-P energy: -149.443
bonds (distance) P-C4' energy: -158.932
flat angles C4'-P-C4' energy: -185.817
flat angles P-C4'-P energy: -113.351
tors. eta vs tors. theta energy: -238.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2544.542524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.542524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.542524 (E_RNA)
where:
Base-Base interactions energy: -1701.089
where: short stacking energy: -731.977
Base-Backbone interact. energy: -0.920
local terms energy: -842.533534
where:
bonds (distance) C4'-P energy: -164.888
bonds (distance) P-C4' energy: -155.306
flat angles C4'-P-C4' energy: -178.311
flat angles P-C4'-P energy: -116.363
tors. eta vs tors. theta energy: -227.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2421.821538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.821538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.821538 (E_RNA)
where:
Base-Base interactions energy: -1618.161
where: short stacking energy: -681.777
Base-Backbone interact. energy: 0.309
local terms energy: -803.970102
where:
bonds (distance) C4'-P energy: -151.846
bonds (distance) P-C4' energy: -181.283
flat angles C4'-P-C4' energy: -173.710
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -187.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2327.665987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.665987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.665987 (E_RNA)
where:
Base-Base interactions energy: -1572.760
where: short stacking energy: -674.439
Base-Backbone interact. energy: 0.191
local terms energy: -755.097010
where:
bonds (distance) C4'-P energy: -154.843
bonds (distance) P-C4' energy: -147.847
flat angles C4'-P-C4' energy: -163.609
flat angles P-C4'-P energy: -102.610
tors. eta vs tors. theta energy: -186.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2153.755614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.755614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.755614 (E_RNA)
where:
Base-Base interactions energy: -1441.608
where: short stacking energy: -629.924
Base-Backbone interact. energy: 1.240
local terms energy: -713.388210
where:
bonds (distance) C4'-P energy: -141.399
bonds (distance) P-C4' energy: -146.019
flat angles C4'-P-C4' energy: -154.560
flat angles P-C4'-P energy: -98.329
tors. eta vs tors. theta energy: -173.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2031.533820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.533820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.533820 (E_RNA)
where:
Base-Base interactions energy: -1352.299
where: short stacking energy: -587.571
Base-Backbone interact. energy: 0.678
local terms energy: -679.913379
where:
bonds (distance) C4'-P energy: -151.114
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -159.378
flat angles P-C4'-P energy: -84.948
tors. eta vs tors. theta energy: -158.421
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: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1499.735189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.735189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.735189 (E_RNA)
where:
Base-Base interactions energy: -896.066
where: short stacking energy: -450.436
Base-Backbone interact. energy: 0.506
local terms energy: -604.175471
where:
bonds (distance) C4'-P energy: -134.101
bonds (distance) P-C4' energy: -153.419
flat angles C4'-P-C4' energy: -124.017
flat angles P-C4'-P energy: -88.303
tors. eta vs tors. theta energy: -104.335
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: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1230.095761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.095761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.095761 (E_RNA)
where:
Base-Base interactions energy: -723.102
where: short stacking energy: -342.379
Base-Backbone interact. energy: -2.197
local terms energy: -504.796457
where:
bonds (distance) C4'-P energy: -123.537
bonds (distance) P-C4' energy: -161.110
flat angles C4'-P-C4' energy: -125.756
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1137.439137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.439137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.439137 (E_RNA)
where:
Base-Base interactions energy: -642.666
where: short stacking energy: -305.320
Base-Backbone interact. energy: 1.335
local terms energy: -496.107534
where:
bonds (distance) C4'-P energy: -108.885
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -120.546
flat angles P-C4'-P energy: -92.259
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1014.131839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.131839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.131839 (E_RNA)
where:
Base-Base interactions energy: -576.539
where: short stacking energy: -277.352
Base-Backbone interact. energy: 6.382
local terms energy: -443.974838
where:
bonds (distance) C4'-P energy: -113.471
bonds (distance) P-C4' energy: -136.559
flat angles C4'-P-C4' energy: -106.223
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2729.564366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.564366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.564366 (E_RNA)
where:
Base-Base interactions energy: -1875.679
where: short stacking energy: -809.546
Base-Backbone interact. energy: -1.854
local terms energy: -852.031255
where:
bonds (distance) C4'-P energy: -153.598
bonds (distance) P-C4' energy: -167.208
flat angles C4'-P-C4' energy: -170.032
flat angles P-C4'-P energy: -121.054
tors. eta vs tors. theta energy: -240.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2542.357901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.357901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.357901 (E_RNA)
where:
Base-Base interactions energy: -1696.151
where: short stacking energy: -763.542
Base-Backbone interact. energy: -2.517
local terms energy: -843.689319
where:
bonds (distance) C4'-P energy: -150.403
bonds (distance) P-C4' energy: -176.662
flat angles C4'-P-C4' energy: -178.930
flat angles P-C4'-P energy: -114.490
tors. eta vs tors. theta energy: -223.205
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: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2434.769190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.769190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.769190 (E_RNA)
where:
Base-Base interactions energy: -1637.531
where: short stacking energy: -693.274
Base-Backbone interact. energy: -6.040
local terms energy: -791.198673
where:
bonds (distance) C4'-P energy: -154.841
bonds (distance) P-C4' energy: -154.109
flat angles C4'-P-C4' energy: -173.150
flat angles P-C4'-P energy: -121.555
tors. eta vs tors. theta energy: -187.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2259.240412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.240412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.240412 (E_RNA)
where:
Base-Base interactions energy: -1499.531
where: short stacking energy: -649.692
Base-Backbone interact. energy: 0.018
local terms energy: -759.727235
where:
bonds (distance) C4'-P energy: -163.874
bonds (distance) P-C4' energy: -144.411
flat angles C4'-P-C4' energy: -154.836
flat angles P-C4'-P energy: -119.851
tors. eta vs tors. theta energy: -176.754
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: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2146.883797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.883797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.883797 (E_RNA)
where:
Base-Base interactions energy: -1435.757
where: short stacking energy: -618.715
Base-Backbone interact. energy: 0.109
local terms energy: -711.236333
where:
bonds (distance) C4'-P energy: -134.184
bonds (distance) P-C4' energy: -133.585
flat angles C4'-P-C4' energy: -161.112
flat angles P-C4'-P energy: -103.534
tors. eta vs tors. theta energy: -178.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1977.314540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.314540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.314540 (E_RNA)
where:
Base-Base interactions energy: -1300.462
where: short stacking energy: -580.776
Base-Backbone interact. energy: -2.212
local terms energy: -674.640302
where:
bonds (distance) C4'-P energy: -123.973
bonds (distance) P-C4' energy: -145.735
flat angles C4'-P-C4' energy: -160.731
flat angles P-C4'-P energy: -87.505
tors. eta vs tors. theta energy: -156.697
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: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1629.536967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.536967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.536967 (E_RNA)
where:
Base-Base interactions energy: -1037.082
where: short stacking energy: -487.649
Base-Backbone interact. energy: 6.959
local terms energy: -599.414093
where:
bonds (distance) C4'-P energy: -128.735
bonds (distance) P-C4' energy: -145.354
flat angles C4'-P-C4' energy: -150.653
flat angles P-C4'-P energy: -90.506
tors. eta vs tors. theta energy: -84.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1156.790673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.790673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.790673 (E_RNA)
where:
Base-Base interactions energy: -667.463
where: short stacking energy: -323.107
Base-Backbone interact. energy: 4.548
local terms energy: -493.876541
where:
bonds (distance) C4'-P energy: -120.182
bonds (distance) P-C4' energy: -148.333
flat angles C4'-P-C4' energy: -126.098
flat angles P-C4'-P energy: -80.626
tors. eta vs tors. theta energy: -18.637
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: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1085.110208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.110208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.110208 (E_RNA)
where:
Base-Base interactions energy: -634.277
where: short stacking energy: -295.330
Base-Backbone interact. energy: 3.835
local terms energy: -454.668715
where:
bonds (distance) C4'-P energy: -121.406
bonds (distance) P-C4' energy: -132.451
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -930.767728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.767728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.767728 (E_RNA)
where:
Base-Base interactions energy: -511.071
where: short stacking energy: -276.389
Base-Backbone interact. energy: 5.899
local terms energy: -425.596379
where:
bonds (distance) C4'-P energy: -139.969
bonds (distance) P-C4' energy: -139.695
flat angles C4'-P-C4' energy: -89.577
flat angles P-C4'-P energy: -59.981
tors. eta vs tors. theta energy: 3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2715.698011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.698011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.698011 (E_RNA)
where:
Base-Base interactions energy: -1845.992
where: short stacking energy: -779.274
Base-Backbone interact. energy: -3.929
local terms energy: -865.777004
where:
bonds (distance) C4'-P energy: -174.562
bonds (distance) P-C4' energy: -164.539
flat angles C4'-P-C4' energy: -170.088
flat angles P-C4'-P energy: -124.985
tors. eta vs tors. theta energy: -231.603
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: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2593.261824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.261824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.261824 (E_RNA)
where:
Base-Base interactions energy: -1744.746
where: short stacking energy: -763.601
Base-Backbone interact. energy: -3.591
local terms energy: -844.924691
where:
bonds (distance) C4'-P energy: -167.161
bonds (distance) P-C4' energy: -164.190
flat angles C4'-P-C4' energy: -187.798
flat angles P-C4'-P energy: -114.491
tors. eta vs tors. theta energy: -211.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2480.625499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.625499 (E_RNA)
where:
Base-Base interactions energy: -1710.828
where: short stacking energy: -733.926
Base-Backbone interact. energy: -1.315
local terms energy: -768.482702
where:
bonds (distance) C4'-P energy: -141.092
bonds (distance) P-C4' energy: -140.611
flat angles C4'-P-C4' energy: -171.325
flat angles P-C4'-P energy: -105.747
tors. eta vs tors. theta energy: -209.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2297.677639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.677639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.677639 (E_RNA)
where:
Base-Base interactions energy: -1550.749
where: short stacking energy: -669.809
Base-Backbone interact. energy: -2.854
local terms energy: -744.074514
where:
bonds (distance) C4'-P energy: -131.972
bonds (distance) P-C4' energy: -153.443
flat angles C4'-P-C4' energy: -168.207
flat angles P-C4'-P energy: -110.799
tors. eta vs tors. theta energy: -179.654
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2148.224475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.224475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.224475 (E_RNA)
where:
Base-Base interactions energy: -1430.190
where: short stacking energy: -614.814
Base-Backbone interact. energy: -5.849
local terms energy: -712.184694
where:
bonds (distance) C4'-P energy: -137.815
bonds (distance) P-C4' energy: -139.814
flat angles C4'-P-C4' energy: -162.045
flat angles P-C4'-P energy: -107.191
tors. eta vs tors. theta energy: -165.321
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: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2021.777529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.777529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.777529 (E_RNA)
where:
Base-Base interactions energy: -1338.090
where: short stacking energy: -613.943
Base-Backbone interact. energy: -1.555
local terms energy: -682.132764
where:
bonds (distance) C4'-P energy: -140.363
bonds (distance) P-C4' energy: -134.389
flat angles C4'-P-C4' energy: -155.693
flat angles P-C4'-P energy: -101.377
tors. eta vs tors. theta energy: -150.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1683.728796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.728796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.728796 (E_RNA)
where:
Base-Base interactions energy: -1052.230
where: short stacking energy: -505.850
Base-Backbone interact. energy: 5.591
local terms energy: -637.089929
where:
bonds (distance) C4'-P energy: -142.890
bonds (distance) P-C4' energy: -145.577
flat angles C4'-P-C4' energy: -149.585
flat angles P-C4'-P energy: -88.536
tors. eta vs tors. theta energy: -110.503
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: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1171.350610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.350610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.350610 (E_RNA)
where:
Base-Base interactions energy: -677.201
where: short stacking energy: -341.402
Base-Backbone interact. energy: 2.584
local terms energy: -496.734217
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -140.401
flat angles C4'-P-C4' energy: -108.558
flat angles P-C4'-P energy: -71.338
tors. eta vs tors. theta energy: -50.102
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: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1005.871036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.871036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.871036 (E_RNA)
where:
Base-Base interactions energy: -522.313
where: short stacking energy: -267.411
Base-Backbone interact. energy: -0.240
local terms energy: -483.317688
where:
bonds (distance) C4'-P energy: -143.010
bonds (distance) P-C4' energy: -135.493
flat angles C4'-P-C4' energy: -108.301
flat angles P-C4'-P energy: -91.908
tors. eta vs tors. theta energy: -4.605
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -818.754674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.754674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.754674 (E_RNA)
where:
Base-Base interactions energy: -406.310
where: short stacking energy: -250.730
Base-Backbone interact. energy: 1.791
local terms energy: -414.235706
where:
bonds (distance) C4'-P energy: -93.460
bonds (distance) P-C4' energy: -120.885
flat angles C4'-P-C4' energy: -129.286
flat angles P-C4'-P energy: -63.216
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2746.207554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.207554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.207554 (E_RNA)
where:
Base-Base interactions energy: -1896.407
where: short stacking energy: -803.103
Base-Backbone interact. energy: 1.737
local terms energy: -851.536716
where:
bonds (distance) C4'-P energy: -147.738
bonds (distance) P-C4' energy: -166.196
flat angles C4'-P-C4' energy: -178.206
flat angles P-C4'-P energy: -120.709
tors. eta vs tors. theta energy: -238.688
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2575.889736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.889736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.889736 (E_RNA)
where:
Base-Base interactions energy: -1743.619
where: short stacking energy: -753.057
Base-Backbone interact. energy: -3.237
local terms energy: -829.033685
where:
bonds (distance) C4'-P energy: -158.264
bonds (distance) P-C4' energy: -168.676
flat angles C4'-P-C4' energy: -160.824
flat angles P-C4'-P energy: -116.658
tors. eta vs tors. theta energy: -224.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2435.234952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.234952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.234952 (E_RNA)
where:
Base-Base interactions energy: -1625.268
where: short stacking energy: -685.133
Base-Backbone interact. energy: 1.888
local terms energy: -811.855012
where:
bonds (distance) C4'-P energy: -162.090
bonds (distance) P-C4' energy: -185.567
flat angles C4'-P-C4' energy: -150.721
flat angles P-C4'-P energy: -116.317
tors. eta vs tors. theta energy: -197.160
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: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2287.794894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.794894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.794894 (E_RNA)
where:
Base-Base interactions energy: -1530.051
where: short stacking energy: -651.393
Base-Backbone interact. energy: -2.214
local terms energy: -755.530720
where:
bonds (distance) C4'-P energy: -135.678
bonds (distance) P-C4' energy: -152.599
flat angles C4'-P-C4' energy: -166.384
flat angles P-C4'-P energy: -121.610
tors. eta vs tors. theta energy: -179.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2216.296481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.296481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.296481 (E_RNA)
where:
Base-Base interactions energy: -1518.505
where: short stacking energy: -625.784
Base-Backbone interact. energy: 2.802
local terms energy: -700.593770
where:
bonds (distance) C4'-P energy: -129.750
bonds (distance) P-C4' energy: -146.167
flat angles C4'-P-C4' energy: -165.335
flat angles P-C4'-P energy: -90.492
tors. eta vs tors. theta energy: -168.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2020.138569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.138569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.138569 (E_RNA)
where:
Base-Base interactions energy: -1316.361
where: short stacking energy: -580.364
Base-Backbone interact. energy: 3.688
local terms energy: -707.465708
where:
bonds (distance) C4'-P energy: -141.517
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -161.713
flat angles P-C4'-P energy: -113.388
tors. eta vs tors. theta energy: -146.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1614.794839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.794839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.794839 (E_RNA)
where:
Base-Base interactions energy: -1034.360
where: short stacking energy: -471.259
Base-Backbone interact. energy: 2.123
local terms energy: -582.557054
where:
bonds (distance) C4'-P energy: -117.493
bonds (distance) P-C4' energy: -154.209
flat angles C4'-P-C4' energy: -130.591
flat angles P-C4'-P energy: -81.174
tors. eta vs tors. theta energy: -99.090
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: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1231.040156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.040156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.040156 (E_RNA)
where:
Base-Base interactions energy: -681.603
where: short stacking energy: -350.455
Base-Backbone interact. energy: 0.048
local terms energy: -549.485985
where:
bonds (distance) C4'-P energy: -129.580
bonds (distance) P-C4' energy: -142.173
flat angles C4'-P-C4' energy: -131.326
flat angles P-C4'-P energy: -89.577
tors. eta vs tors. theta energy: -56.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1016.964843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.964843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.964843 (E_RNA)
where:
Base-Base interactions energy: -554.687
where: short stacking energy: -286.489
Base-Backbone interact. energy: 0.199
local terms energy: -462.476734
where:
bonds (distance) C4'-P energy: -146.806
bonds (distance) P-C4' energy: -132.041
flat angles C4'-P-C4' energy: -109.429
flat angles P-C4'-P energy: -78.031
tors. eta vs tors. theta energy: 3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -825.423725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.423725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.423725 (E_RNA)
where:
Base-Base interactions energy: -412.738
where: short stacking energy: -220.712
Base-Backbone interact. energy: 2.405
local terms energy: -415.090549
where:
bonds (distance) C4'-P energy: -138.879
bonds (distance) P-C4' energy: -152.433
flat angles C4'-P-C4' energy: -108.695
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: 23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2723.482609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.482609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.482609 (E_RNA)
where:
Base-Base interactions energy: -1871.034
where: short stacking energy: -814.972
Base-Backbone interact. energy: -0.377
local terms energy: -852.071720
where:
bonds (distance) C4'-P energy: -161.483
bonds (distance) P-C4' energy: -153.038
flat angles C4'-P-C4' energy: -183.743
flat angles P-C4'-P energy: -122.362
tors. eta vs tors. theta energy: -231.446
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: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2582.485061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.485061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.485061 (E_RNA)
where:
Base-Base interactions energy: -1716.768
where: short stacking energy: -757.409
Base-Backbone interact. energy: -3.716
local terms energy: -862.001415
where:
bonds (distance) C4'-P energy: -161.354
bonds (distance) P-C4' energy: -159.361
flat angles C4'-P-C4' energy: -184.496
flat angles P-C4'-P energy: -128.496
tors. eta vs tors. theta energy: -228.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2454.017109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.017109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.017109 (E_RNA)
where:
Base-Base interactions energy: -1664.464
where: short stacking energy: -729.344
Base-Backbone interact. energy: -3.192
local terms energy: -786.361085
where:
bonds (distance) C4'-P energy: -145.272
bonds (distance) P-C4' energy: -145.177
flat angles C4'-P-C4' energy: -171.602
flat angles P-C4'-P energy: -122.975
tors. eta vs tors. theta energy: -201.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2324.517757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.517757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.517757 (E_RNA)
where:
Base-Base interactions energy: -1585.532
where: short stacking energy: -670.141
Base-Backbone interact. energy: -3.873
local terms energy: -735.112682
where:
bonds (distance) C4'-P energy: -133.828
bonds (distance) P-C4' energy: -142.939
flat angles C4'-P-C4' energy: -179.619
flat angles P-C4'-P energy: -107.577
tors. eta vs tors. theta energy: -171.150
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2226.773626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.773626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.773626 (E_RNA)
where:
Base-Base interactions energy: -1488.794
where: short stacking energy: -601.907
Base-Backbone interact. energy: -2.786
local terms energy: -735.193555
where:
bonds (distance) C4'-P energy: -153.012
bonds (distance) P-C4' energy: -159.327
flat angles C4'-P-C4' energy: -151.538
flat angles P-C4'-P energy: -103.016
tors. eta vs tors. theta energy: -168.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2082.969445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.969445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.969445 (E_RNA)
where:
Base-Base interactions energy: -1364.662
where: short stacking energy: -616.797
Base-Backbone interact. energy: -4.377
local terms energy: -714.009146
where:
bonds (distance) C4'-P energy: -138.765
bonds (distance) P-C4' energy: -148.987
flat angles C4'-P-C4' energy: -156.612
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -176.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1691.187221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.187221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.187221 (E_RNA)
where:
Base-Base interactions energy: -1058.733
where: short stacking energy: -519.478
Base-Backbone interact. energy: -1.448
local terms energy: -631.006403
where:
bonds (distance) C4'-P energy: -148.765
bonds (distance) P-C4' energy: -121.286
flat angles C4'-P-C4' energy: -151.940
flat angles P-C4'-P energy: -87.541
tors. eta vs tors. theta energy: -121.474
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: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1266.200779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.200779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.200779 (E_RNA)
where:
Base-Base interactions energy: -758.514
where: short stacking energy: -370.514
Base-Backbone interact. energy: -2.036
local terms energy: -505.650126
where:
bonds (distance) C4'-P energy: -111.265
bonds (distance) P-C4' energy: -151.865
flat angles C4'-P-C4' energy: -136.971
flat angles P-C4'-P energy: -58.972
tors. eta vs tors. theta energy: -46.578
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: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1061.829282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.829282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.829282 (E_RNA)
where:
Base-Base interactions energy: -603.201
where: short stacking energy: -319.361
Base-Backbone interact. energy: 2.164
local terms energy: -460.792425
where:
bonds (distance) C4'-P energy: -112.286
bonds (distance) P-C4' energy: -127.063
flat angles C4'-P-C4' energy: -121.632
flat angles P-C4'-P energy: -67.531
tors. eta vs tors. theta energy: -32.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -755.375647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.375647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.375647 (E_RNA)
where:
Base-Base interactions energy: -339.737
where: short stacking energy: -197.655
Base-Backbone interact. energy: 8.005
local terms energy: -423.643950
where:
bonds (distance) C4'-P energy: -137.147
bonds (distance) P-C4' energy: -142.779
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: 42.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2720.496673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.496673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.496673 (E_RNA)
where:
Base-Base interactions energy: -1858.331
where: short stacking energy: -794.638
Base-Backbone interact. energy: -3.333
local terms energy: -858.832626
where:
bonds (distance) C4'-P energy: -156.192
bonds (distance) P-C4' energy: -159.062
flat angles C4'-P-C4' energy: -184.127
flat angles P-C4'-P energy: -121.781
tors. eta vs tors. theta energy: -237.671
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: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2559.387602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.387602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.387602 (E_RNA)
where:
Base-Base interactions energy: -1708.764
where: short stacking energy: -739.965
Base-Backbone interact. energy: -1.601
local terms energy: -849.022481
where:
bonds (distance) C4'-P energy: -161.525
bonds (distance) P-C4' energy: -161.235
flat angles C4'-P-C4' energy: -186.851
flat angles P-C4'-P energy: -116.282
tors. eta vs tors. theta energy: -223.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2485.218949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.218949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.218949 (E_RNA)
where:
Base-Base interactions energy: -1681.015
where: short stacking energy: -718.844
Base-Backbone interact. energy: -3.019
local terms energy: -801.185223
where:
bonds (distance) C4'-P energy: -160.173
bonds (distance) P-C4' energy: -147.037
flat angles C4'-P-C4' energy: -176.881
flat angles P-C4'-P energy: -114.046
tors. eta vs tors. theta energy: -203.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2316.548684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.548684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.548684 (E_RNA)
where:
Base-Base interactions energy: -1571.365
where: short stacking energy: -677.771
Base-Backbone interact. energy: 1.200
local terms energy: -746.384195
where:
bonds (distance) C4'-P energy: -148.760
bonds (distance) P-C4' energy: -155.425
flat angles C4'-P-C4' energy: -159.030
flat angles P-C4'-P energy: -104.398
tors. eta vs tors. theta energy: -178.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2146.158179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.158179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.158179 (E_RNA)
where:
Base-Base interactions energy: -1431.711
where: short stacking energy: -645.540
Base-Backbone interact. energy: 0.023
local terms energy: -714.470312
where:
bonds (distance) C4'-P energy: -135.874
bonds (distance) P-C4' energy: -133.847
flat angles C4'-P-C4' energy: -167.456
flat angles P-C4'-P energy: -104.441
tors. eta vs tors. theta energy: -172.852
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: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2046.545147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.545147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.545147 (E_RNA)
where:
Base-Base interactions energy: -1335.025
where: short stacking energy: -613.314
Base-Backbone interact. energy: -4.356
local terms energy: -707.164524
where:
bonds (distance) C4'-P energy: -150.627
bonds (distance) P-C4' energy: -135.233
flat angles C4'-P-C4' energy: -154.070
flat angles P-C4'-P energy: -103.807
tors. eta vs tors. theta energy: -163.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1674.111179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.111179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.111179 (E_RNA)
where:
Base-Base interactions energy: -1045.419
where: short stacking energy: -486.073
Base-Backbone interact. energy: 4.400
local terms energy: -633.091941
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -154.389
flat angles C4'-P-C4' energy: -143.254
flat angles P-C4'-P energy: -97.822
tors. eta vs tors. theta energy: -127.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1280.564087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.564087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.564087 (E_RNA)
where:
Base-Base interactions energy: -737.656
where: short stacking energy: -353.777
Base-Backbone interact. energy: 1.457
local terms energy: -544.364915
where:
bonds (distance) C4'-P energy: -118.070
bonds (distance) P-C4' energy: -134.029
flat angles C4'-P-C4' energy: -140.729
flat angles P-C4'-P energy: -97.042
tors. eta vs tors. theta energy: -54.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1000.858859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.858859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.858859 (E_RNA)
where:
Base-Base interactions energy: -575.909
where: short stacking energy: -305.920
Base-Backbone interact. energy: -0.385
local terms energy: -424.564951
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -133.917
flat angles C4'-P-C4' energy: -110.442
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -4.698
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: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -736.690288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.690288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.690288 (E_RNA)
where:
Base-Base interactions energy: -344.206
where: short stacking energy: -215.589
Base-Backbone interact. energy: -2.065
local terms energy: -390.419964
where:
bonds (distance) C4'-P energy: -99.937
bonds (distance) P-C4' energy: -139.727
flat angles C4'-P-C4' energy: -121.712
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: 22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2721.553354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.553354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.553354 (E_RNA)
where:
Base-Base interactions energy: -1858.341
where: short stacking energy: -803.652
Base-Backbone interact. energy: -3.913
local terms energy: -859.299348
where:
bonds (distance) C4'-P energy: -155.608
bonds (distance) P-C4' energy: -169.995
flat angles C4'-P-C4' energy: -181.957
flat angles P-C4'-P energy: -123.887
tors. eta vs tors. theta energy: -227.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2541.851989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.851989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.851989 (E_RNA)
where:
Base-Base interactions energy: -1698.569
where: short stacking energy: -746.802
Base-Backbone interact. energy: -0.447
local terms energy: -842.836412
where:
bonds (distance) C4'-P energy: -154.098
bonds (distance) P-C4' energy: -158.874
flat angles C4'-P-C4' energy: -187.795
flat angles P-C4'-P energy: -122.261
tors. eta vs tors. theta energy: -219.808
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: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2485.952851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.952851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.952851 (E_RNA)
where:
Base-Base interactions energy: -1685.332
where: short stacking energy: -711.952
Base-Backbone interact. energy: -5.486
local terms energy: -795.134769
where:
bonds (distance) C4'-P energy: -143.786
bonds (distance) P-C4' energy: -159.584
flat angles C4'-P-C4' energy: -172.819
flat angles P-C4'-P energy: -118.578
tors. eta vs tors. theta energy: -200.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2338.239550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.239550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.239550 (E_RNA)
where:
Base-Base interactions energy: -1570.236
where: short stacking energy: -695.225
Base-Backbone interact. energy: 6.497
local terms energy: -774.500450
where:
bonds (distance) C4'-P energy: -152.852
bonds (distance) P-C4' energy: -168.205
flat angles C4'-P-C4' energy: -153.304
flat angles P-C4'-P energy: -110.073
tors. eta vs tors. theta energy: -190.066
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2111.495633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.495633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.495633 (E_RNA)
where:
Base-Base interactions energy: -1402.337
where: short stacking energy: -613.756
Base-Backbone interact. energy: -3.243
local terms energy: -705.916082
where:
bonds (distance) C4'-P energy: -148.429
bonds (distance) P-C4' energy: -149.961
flat angles C4'-P-C4' energy: -148.327
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -153.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2105.131399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.131399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.131399 (E_RNA)
where:
Base-Base interactions energy: -1397.647
where: short stacking energy: -619.145
Base-Backbone interact. energy: 1.762
local terms energy: -709.247003
where:
bonds (distance) C4'-P energy: -138.810
bonds (distance) P-C4' energy: -147.227
flat angles C4'-P-C4' energy: -159.588
flat angles P-C4'-P energy: -95.915
tors. eta vs tors. theta energy: -167.707
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: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1690.295592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.295592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.295592 (E_RNA)
where:
Base-Base interactions energy: -1077.076
where: short stacking energy: -487.290
Base-Backbone interact. energy: 3.055
local terms energy: -616.275038
where:
bonds (distance) C4'-P energy: -126.179
bonds (distance) P-C4' energy: -141.959
flat angles C4'-P-C4' energy: -148.683
flat angles P-C4'-P energy: -89.770
tors. eta vs tors. theta energy: -109.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1323.939504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.939504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.939504 (E_RNA)
where:
Base-Base interactions energy: -758.198
where: short stacking energy: -358.769
Base-Backbone interact. energy: -2.625
local terms energy: -563.116054
where:
bonds (distance) C4'-P energy: -153.578
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -126.005
flat angles P-C4'-P energy: -98.912
tors. eta vs tors. theta energy: -52.612
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: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1058.871058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.871058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.871058 (E_RNA)
where:
Base-Base interactions energy: -571.851
where: short stacking energy: -263.917
Base-Backbone interact. energy: 0.033
local terms energy: -487.052997
where:
bonds (distance) C4'-P energy: -136.861
bonds (distance) P-C4' energy: -165.617
flat angles C4'-P-C4' energy: -96.694
flat angles P-C4'-P energy: -76.734
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -761.046114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.046114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.046114 (E_RNA)
where:
Base-Base interactions energy: -338.389
where: short stacking energy: -184.864
Base-Backbone interact. energy: 2.679
local terms energy: -425.336476
where:
bonds (distance) C4'-P energy: -113.897
bonds (distance) P-C4' energy: -138.946
flat angles C4'-P-C4' energy: -131.928
flat angles P-C4'-P energy: -69.524
tors. eta vs tors. theta energy: 28.960
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: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2712.585209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.585209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.585209 (E_RNA)
where:
Base-Base interactions energy: -1841.716
where: short stacking energy: -794.894
Base-Backbone interact. energy: -4.445
local terms energy: -866.424303
where:
bonds (distance) C4'-P energy: -161.360
bonds (distance) P-C4' energy: -173.118
flat angles C4'-P-C4' energy: -166.593
flat angles P-C4'-P energy: -132.728
tors. eta vs tors. theta energy: -232.625
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: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2552.130323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.130323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.130323 (E_RNA)
where:
Base-Base interactions energy: -1688.132
where: short stacking energy: -761.677
Base-Backbone interact. energy: -2.167
local terms energy: -861.831978
where:
bonds (distance) C4'-P energy: -152.593
bonds (distance) P-C4' energy: -167.329
flat angles C4'-P-C4' energy: -190.342
flat angles P-C4'-P energy: -126.710
tors. eta vs tors. theta energy: -224.858
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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2443.039759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.039759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.039759 (E_RNA)
where:
Base-Base interactions energy: -1645.256
where: short stacking energy: -679.487
Base-Backbone interact. energy: -3.325
local terms energy: -794.458860
where:
bonds (distance) C4'-P energy: -145.122
bonds (distance) P-C4' energy: -149.884
flat angles C4'-P-C4' energy: -182.003
flat angles P-C4'-P energy: -122.969
tors. eta vs tors. theta energy: -194.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2306.707554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.707554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.707554 (E_RNA)
where:
Base-Base interactions energy: -1552.649
where: short stacking energy: -669.065
Base-Backbone interact. energy: -1.602
local terms energy: -752.456289
where:
bonds (distance) C4'-P energy: -152.177
bonds (distance) P-C4' energy: -154.006
flat angles C4'-P-C4' energy: -165.466
flat angles P-C4'-P energy: -95.512
tors. eta vs tors. theta energy: -185.295
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: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2188.772755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.772755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.772755 (E_RNA)
where:
Base-Base interactions energy: -1472.161
where: short stacking energy: -620.004
Base-Backbone interact. energy: -3.361
local terms energy: -713.251177
where:
bonds (distance) C4'-P energy: -156.157
bonds (distance) P-C4' energy: -143.314
flat angles C4'-P-C4' energy: -162.085
flat angles P-C4'-P energy: -107.535
tors. eta vs tors. theta energy: -144.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2044.154327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.154327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.154327 (E_RNA)
where:
Base-Base interactions energy: -1358.437
where: short stacking energy: -591.026
Base-Backbone interact. energy: -0.153
local terms energy: -685.564591
where:
bonds (distance) C4'-P energy: -144.544
bonds (distance) P-C4' energy: -146.631
flat angles C4'-P-C4' energy: -154.491
flat angles P-C4'-P energy: -79.745
tors. eta vs tors. theta energy: -160.154
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: 194
Temperature: 1.200000
Total energy: -1718.776738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.776738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.776738 (E_RNA)
where:
Base-Base interactions energy: -1096.634
where: short stacking energy: -522.555
Base-Backbone interact. energy: -0.057
local terms energy: -622.086202
where:
bonds (distance) C4'-P energy: -127.872
bonds (distance) P-C4' energy: -144.525
flat angles C4'-P-C4' energy: -155.015
flat angles P-C4'-P energy: -88.006
tors. eta vs tors. theta energy: -106.670
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1324.468919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.468919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.468919 (E_RNA)
where:
Base-Base interactions energy: -806.159
where: short stacking energy: -379.022
Base-Backbone interact. energy: 2.841
local terms energy: -521.151211
where:
bonds (distance) C4'-P energy: -126.582
bonds (distance) P-C4' energy: -114.814
flat angles C4'-P-C4' energy: -126.149
flat angles P-C4'-P energy: -83.854
tors. eta vs tors. theta energy: -69.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1106.450328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.450328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.450328 (E_RNA)
where:
Base-Base interactions energy: -658.174
where: short stacking energy: -331.322
Base-Backbone interact. energy: -0.767
local terms energy: -447.508745
where:
bonds (distance) C4'-P energy: -129.741
bonds (distance) P-C4' energy: -117.532
flat angles C4'-P-C4' energy: -121.915
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -786.949014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.949014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.949014 (E_RNA)
where:
Base-Base interactions energy: -374.781
where: short stacking energy: -223.508
Base-Backbone interact. energy: 4.419
local terms energy: -416.586908
where:
bonds (distance) C4'-P energy: -141.987
bonds (distance) P-C4' energy: -122.591
flat angles C4'-P-C4' energy: -99.169
flat angles P-C4'-P energy: -69.795
tors. eta vs tors. theta energy: 16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2689.915811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.915811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.915811 (E_RNA)
where:
Base-Base interactions energy: -1840.675
where: short stacking energy: -781.721
Base-Backbone interact. energy: 3.841
local terms energy: -853.081261
where:
bonds (distance) C4'-P energy: -147.538
bonds (distance) P-C4' energy: -160.356
flat angles C4'-P-C4' energy: -190.703
flat angles P-C4'-P energy: -116.597
tors. eta vs tors. theta energy: -237.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2552.556075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.556075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.556075 (E_RNA)
where:
Base-Base interactions energy: -1728.198
where: short stacking energy: -768.946
Base-Backbone interact. energy: -3.695
local terms energy: -820.662728
where:
bonds (distance) C4'-P energy: -134.210
bonds (distance) P-C4' energy: -164.864
flat angles C4'-P-C4' energy: -172.694
flat angles P-C4'-P energy: -115.391
tors. eta vs tors. theta energy: -233.504
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2439.390611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.390611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.390611 (E_RNA)
where:
Base-Base interactions energy: -1667.559
where: short stacking energy: -684.362
Base-Backbone interact. energy: -4.317
local terms energy: -767.514366
where:
bonds (distance) C4'-P energy: -147.668
bonds (distance) P-C4' energy: -163.940
flat angles C4'-P-C4' energy: -166.163
flat angles P-C4'-P energy: -100.823
tors. eta vs tors. theta energy: -188.921
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: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2324.676906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.676906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.676906 (E_RNA)
where:
Base-Base interactions energy: -1539.030
where: short stacking energy: -648.870
Base-Backbone interact. energy: -0.202
local terms energy: -785.444370
where:
bonds (distance) C4'-P energy: -159.518
bonds (distance) P-C4' energy: -152.141
flat angles C4'-P-C4' energy: -176.519
flat angles P-C4'-P energy: -102.725
tors. eta vs tors. theta energy: -194.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2135.315790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.315790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.315790 (E_RNA)
where:
Base-Base interactions energy: -1463.725
where: short stacking energy: -588.953
Base-Backbone interact. energy: -0.760
local terms energy: -670.831034
where:
bonds (distance) C4'-P energy: -145.042
bonds (distance) P-C4' energy: -158.090
flat angles C4'-P-C4' energy: -144.196
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -144.705
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2035.912387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.912387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.912387 (E_RNA)
where:
Base-Base interactions energy: -1339.567
where: short stacking energy: -578.129
Base-Backbone interact. energy: -1.763
local terms energy: -694.582448
where:
bonds (distance) C4'-P energy: -140.317
bonds (distance) P-C4' energy: -145.179
flat angles C4'-P-C4' energy: -158.138
flat angles P-C4'-P energy: -90.917
tors. eta vs tors. theta energy: -160.031
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1737.349823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.349823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.349823 (E_RNA)
where:
Base-Base interactions energy: -1081.354
where: short stacking energy: -485.062
Base-Backbone interact. energy: -0.223
local terms energy: -655.772464
where:
bonds (distance) C4'-P energy: -132.211
bonds (distance) P-C4' energy: -147.860
flat angles C4'-P-C4' energy: -136.583
flat angles P-C4'-P energy: -113.619
tors. eta vs tors. theta energy: -125.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1417.260760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.260760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.260760 (E_RNA)
where:
Base-Base interactions energy: -890.888
where: short stacking energy: -400.240
Base-Backbone interact. energy: 0.724
local terms energy: -527.097117
where:
bonds (distance) C4'-P energy: -114.829
bonds (distance) P-C4' energy: -138.648
flat angles C4'-P-C4' energy: -127.202
flat angles P-C4'-P energy: -66.551
tors. eta vs tors. theta energy: -79.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1010.102467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.102467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.102467 (E_RNA)
where:
Base-Base interactions energy: -523.241
where: short stacking energy: -297.333
Base-Backbone interact. energy: -0.203
local terms energy: -486.659039
where:
bonds (distance) C4'-P energy: -145.947
bonds (distance) P-C4' energy: -127.562
flat angles C4'-P-C4' energy: -116.487
flat angles P-C4'-P energy: -61.678
tors. eta vs tors. theta energy: -34.984
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: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -810.005317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.005317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.005317 (E_RNA)
where:
Base-Base interactions energy: -364.136
where: short stacking energy: -226.132
Base-Backbone interact. energy: 0.590
local terms energy: -446.459411
where:
bonds (distance) C4'-P energy: -130.551
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -131.729
flat angles P-C4'-P energy: -65.838
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2714.834930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.834930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.834930 (E_RNA)
where:
Base-Base interactions energy: -1847.288
where: short stacking energy: -790.839
Base-Backbone interact. energy: -3.032
local terms energy: -864.514689
where:
bonds (distance) C4'-P energy: -151.525
bonds (distance) P-C4' energy: -172.314
flat angles C4'-P-C4' energy: -183.511
flat angles P-C4'-P energy: -111.775
tors. eta vs tors. theta energy: -245.390
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2547.296280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.296280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.296280 (E_RNA)
where:
Base-Base interactions energy: -1707.741
where: short stacking energy: -747.886
Base-Backbone interact. energy: -5.790
local terms energy: -833.765007
where:
bonds (distance) C4'-P energy: -148.851
bonds (distance) P-C4' energy: -153.214
flat angles C4'-P-C4' energy: -185.413
flat angles P-C4'-P energy: -117.063
tors. eta vs tors. theta energy: -229.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2459.870178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.870178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.870178 (E_RNA)
where:
Base-Base interactions energy: -1710.045
where: short stacking energy: -719.384
Base-Backbone interact. energy: -3.742
local terms energy: -746.083090
where:
bonds (distance) C4'-P energy: -143.523
bonds (distance) P-C4' energy: -151.926
flat angles C4'-P-C4' energy: -147.523
flat angles P-C4'-P energy: -111.420
tors. eta vs tors. theta energy: -191.691
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2342.827276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.827276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.827276 (E_RNA)
where:
Base-Base interactions energy: -1583.978
where: short stacking energy: -684.999
Base-Backbone interact. energy: -0.556
local terms energy: -758.293529
where:
bonds (distance) C4'-P energy: -154.605
bonds (distance) P-C4' energy: -157.084
flat angles C4'-P-C4' energy: -150.473
flat angles P-C4'-P energy: -103.371
tors. eta vs tors. theta energy: -192.761
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: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2129.184313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.184313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.184313 (E_RNA)
where:
Base-Base interactions energy: -1407.656
where: short stacking energy: -626.993
Base-Backbone interact. energy: 0.131
local terms energy: -721.658834
where:
bonds (distance) C4'-P energy: -117.168
bonds (distance) P-C4' energy: -166.666
flat angles C4'-P-C4' energy: -169.613
flat angles P-C4'-P energy: -99.999
tors. eta vs tors. theta energy: -168.213
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: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2011.328513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.328513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.328513 (E_RNA)
where:
Base-Base interactions energy: -1331.785
where: short stacking energy: -590.806
Base-Backbone interact. energy: 1.452
local terms energy: -680.996063
where:
bonds (distance) C4'-P energy: -128.891
bonds (distance) P-C4' energy: -142.861
flat angles C4'-P-C4' energy: -171.660
flat angles P-C4'-P energy: -83.138
tors. eta vs tors. theta energy: -154.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1675.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.254688 (E_RNA)
where:
Base-Base interactions energy: -1043.452
where: short stacking energy: -485.748
Base-Backbone interact. energy: 1.685
local terms energy: -633.487434
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -137.691
flat angles C4'-P-C4' energy: -157.771
flat angles P-C4'-P energy: -85.615
tors. eta vs tors. theta energy: -129.102
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1361.669051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.669051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.669051 (E_RNA)
where:
Base-Base interactions energy: -833.284
where: short stacking energy: -390.202
Base-Backbone interact. energy: 1.781
local terms energy: -530.165690
where:
bonds (distance) C4'-P energy: -110.831
bonds (distance) P-C4' energy: -129.186
flat angles C4'-P-C4' energy: -133.537
flat angles P-C4'-P energy: -95.784
tors. eta vs tors. theta energy: -60.828
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: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1029.804831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.804831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.804831 (E_RNA)
where:
Base-Base interactions energy: -554.173
where: short stacking energy: -300.540
Base-Backbone interact. energy: 5.802
local terms energy: -481.433180
where:
bonds (distance) C4'-P energy: -142.965
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -98.805
flat angles P-C4'-P energy: -67.987
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: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -756.022956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.022956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.022956 (E_RNA)
where:
Base-Base interactions energy: -331.392
where: short stacking energy: -193.910
Base-Backbone interact. energy: -1.215
local terms energy: -423.416493
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -136.538
flat angles C4'-P-C4' energy: -111.228
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: 15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2731.958706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.958706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.958706 (E_RNA)
where:
Base-Base interactions energy: -1884.067
where: short stacking energy: -804.872
Base-Backbone interact. energy: -4.808
local terms energy: -843.083792
where:
bonds (distance) C4'-P energy: -151.395
bonds (distance) P-C4' energy: -153.679
flat angles C4'-P-C4' energy: -186.727
flat angles P-C4'-P energy: -119.281
tors. eta vs tors. theta energy: -232.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2581.721468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.721468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.721468 (E_RNA)
where:
Base-Base interactions energy: -1730.919
where: short stacking energy: -767.776
Base-Backbone interact. energy: -2.579
local terms energy: -848.223486
where:
bonds (distance) C4'-P energy: -147.077
bonds (distance) P-C4' energy: -165.276
flat angles C4'-P-C4' energy: -181.888
flat angles P-C4'-P energy: -118.119
tors. eta vs tors. theta energy: -235.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2454.095130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.095130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.095130 (E_RNA)
where:
Base-Base interactions energy: -1697.149
where: short stacking energy: -712.739
Base-Backbone interact. energy: -3.027
local terms energy: -753.919582
where:
bonds (distance) C4'-P energy: -155.638
bonds (distance) P-C4' energy: -139.541
flat angles C4'-P-C4' energy: -166.458
flat angles P-C4'-P energy: -97.011
tors. eta vs tors. theta energy: -195.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2319.846703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.846703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.846703 (E_RNA)
where:
Base-Base interactions energy: -1573.234
where: short stacking energy: -652.557
Base-Backbone interact. energy: -3.136
local terms energy: -743.476002
where:
bonds (distance) C4'-P energy: -144.884
bonds (distance) P-C4' energy: -150.453
flat angles C4'-P-C4' energy: -166.829
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -189.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2095.138181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.138181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.138181 (E_RNA)
where:
Base-Base interactions energy: -1389.895
where: short stacking energy: -560.027
Base-Backbone interact. energy: -2.372
local terms energy: -702.870375
where:
bonds (distance) C4'-P energy: -147.273
bonds (distance) P-C4' energy: -149.741
flat angles C4'-P-C4' energy: -153.878
flat angles P-C4'-P energy: -99.875
tors. eta vs tors. theta energy: -152.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1933.067732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.067732 (E_RNA)
where:
Base-Base interactions energy: -1252.290
where: short stacking energy: -539.910
Base-Backbone interact. energy: 0.004
local terms energy: -680.782122
where:
bonds (distance) C4'-P energy: -132.719
bonds (distance) P-C4' energy: -146.252
flat angles C4'-P-C4' energy: -163.031
flat angles P-C4'-P energy: -104.961
tors. eta vs tors. theta energy: -133.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1727.776314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.776314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.776314 (E_RNA)
where:
Base-Base interactions energy: -1098.721
where: short stacking energy: -482.921
Base-Backbone interact. energy: 14.149
local terms energy: -643.205101
where:
bonds (distance) C4'-P energy: -141.554
bonds (distance) P-C4' energy: -148.731
flat angles C4'-P-C4' energy: -152.507
flat angles P-C4'-P energy: -101.929
tors. eta vs tors. theta energy: -98.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1278.772447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.772447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.772447 (E_RNA)
where:
Base-Base interactions energy: -737.109
where: short stacking energy: -330.961
Base-Backbone interact. energy: -0.982
local terms energy: -540.681588
where:
bonds (distance) C4'-P energy: -133.160
bonds (distance) P-C4' energy: -153.167
flat angles C4'-P-C4' energy: -133.395
flat angles P-C4'-P energy: -77.067
tors. eta vs tors. theta energy: -43.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1035.570021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.570021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.570021 (E_RNA)
where:
Base-Base interactions energy: -536.649
where: short stacking energy: -289.863
Base-Backbone interact. energy: -3.719
local terms energy: -495.202574
where:
bonds (distance) C4'-P energy: -119.081
bonds (distance) P-C4' energy: -153.724
flat angles C4'-P-C4' energy: -120.252
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -27.419
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: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -776.383691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.383691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.383691 (E_RNA)
where:
Base-Base interactions energy: -343.731
where: short stacking energy: -222.368
Base-Backbone interact. energy: -1.683
local terms energy: -430.969646
where:
bonds (distance) C4'-P energy: -120.345
bonds (distance) P-C4' energy: -132.159
flat angles C4'-P-C4' energy: -123.169
flat angles P-C4'-P energy: -59.731
tors. eta vs tors. theta energy: 4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2758.382208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.382208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.382208 (E_RNA)
where:
Base-Base interactions energy: -1894.020
where: short stacking energy: -801.356
Base-Backbone interact. energy: -0.715
local terms energy: -863.646881
where:
bonds (distance) C4'-P energy: -158.579
bonds (distance) P-C4' energy: -170.616
flat angles C4'-P-C4' energy: -183.285
flat angles P-C4'-P energy: -111.662
tors. eta vs tors. theta energy: -239.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2551.460722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.460722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.460722 (E_RNA)
where:
Base-Base interactions energy: -1720.737
where: short stacking energy: -733.250
Base-Backbone interact. energy: -3.290
local terms energy: -827.434121
where:
bonds (distance) C4'-P energy: -160.254
bonds (distance) P-C4' energy: -158.712
flat angles C4'-P-C4' energy: -178.325
flat angles P-C4'-P energy: -105.773
tors. eta vs tors. theta energy: -224.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2447.755579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.755579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.755579 (E_RNA)
where:
Base-Base interactions energy: -1681.305
where: short stacking energy: -702.334
Base-Backbone interact. energy: 3.359
local terms energy: -769.809913
where:
bonds (distance) C4'-P energy: -148.693
bonds (distance) P-C4' energy: -164.512
flat angles C4'-P-C4' energy: -159.054
flat angles P-C4'-P energy: -107.372
tors. eta vs tors. theta energy: -190.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2352.057641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.057641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.057641 (E_RNA)
where:
Base-Base interactions energy: -1592.340
where: short stacking energy: -681.407
Base-Backbone interact. energy: -2.482
local terms energy: -757.235227
where:
bonds (distance) C4'-P energy: -159.982
bonds (distance) P-C4' energy: -145.296
flat angles C4'-P-C4' energy: -156.891
flat angles P-C4'-P energy: -101.337
tors. eta vs tors. theta energy: -193.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2102.819619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.819619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.819619 (E_RNA)
where:
Base-Base interactions energy: -1404.039
where: short stacking energy: -582.840
Base-Backbone interact. energy: -0.721
local terms energy: -698.060072
where:
bonds (distance) C4'-P energy: -136.391
bonds (distance) P-C4' energy: -160.299
flat angles C4'-P-C4' energy: -155.073
flat angles P-C4'-P energy: -91.167
tors. eta vs tors. theta energy: -155.130
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: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1915.086182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.086182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.086182 (E_RNA)
where:
Base-Base interactions energy: -1247.715
where: short stacking energy: -543.451
Base-Backbone interact. energy: -1.010
local terms energy: -666.360667
where:
bonds (distance) C4'-P energy: -133.038
bonds (distance) P-C4' energy: -152.319
flat angles C4'-P-C4' energy: -145.643
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -145.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1726.206210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.206210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.206210 (E_RNA)
where:
Base-Base interactions energy: -1135.037
where: short stacking energy: -512.282
Base-Backbone interact. energy: -0.564
local terms energy: -590.605542
where:
bonds (distance) C4'-P energy: -122.875
bonds (distance) P-C4' energy: -156.596
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -109.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1306.926711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.926711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.926711 (E_RNA)
where:
Base-Base interactions energy: -765.728
where: short stacking energy: -380.303
Base-Backbone interact. energy: 0.547
local terms energy: -541.744952
where:
bonds (distance) C4'-P energy: -124.190
bonds (distance) P-C4' energy: -142.069
flat angles C4'-P-C4' energy: -132.366
flat angles P-C4'-P energy: -85.577
tors. eta vs tors. theta energy: -57.543
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: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -943.712066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.712066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.712066 (E_RNA)
where:
Base-Base interactions energy: -472.772
where: short stacking energy: -261.058
Base-Backbone interact. energy: 1.162
local terms energy: -472.101744
where:
bonds (distance) C4'-P energy: -134.730
bonds (distance) P-C4' energy: -146.224
flat angles C4'-P-C4' energy: -109.474
flat angles P-C4'-P energy: -73.663
tors. eta vs tors. theta energy: -8.010
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: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -768.449444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.449444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.449444 (E_RNA)
where:
Base-Base interactions energy: -330.664
where: short stacking energy: -199.894
Base-Backbone interact. energy: 1.113
local terms energy: -438.899094
where:
bonds (distance) C4'-P energy: -133.911
bonds (distance) P-C4' energy: -139.017
flat angles C4'-P-C4' energy: -119.878
flat angles P-C4'-P energy: -46.056
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2737.546396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.546396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.546396 (E_RNA)
where:
Base-Base interactions energy: -1882.261
where: short stacking energy: -819.549
Base-Backbone interact. energy: -5.522
local terms energy: -849.763540
where:
bonds (distance) C4'-P energy: -146.756
bonds (distance) P-C4' energy: -166.128
flat angles C4'-P-C4' energy: -185.286
flat angles P-C4'-P energy: -115.983
tors. eta vs tors. theta energy: -235.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2564.373162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.373162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.373162 (E_RNA)
where:
Base-Base interactions energy: -1708.819
where: short stacking energy: -730.937
Base-Backbone interact. energy: -3.242
local terms energy: -852.311737
where:
bonds (distance) C4'-P energy: -168.935
bonds (distance) P-C4' energy: -160.309
flat angles C4'-P-C4' energy: -194.605
flat angles P-C4'-P energy: -121.071
tors. eta vs tors. theta energy: -207.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2487.602167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.602167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.602167 (E_RNA)
where:
Base-Base interactions energy: -1693.474
where: short stacking energy: -690.549
Base-Backbone interact. energy: 2.718
local terms energy: -796.846186
where:
bonds (distance) C4'-P energy: -131.538
bonds (distance) P-C4' energy: -159.855
flat angles C4'-P-C4' energy: -178.369
flat angles P-C4'-P energy: -129.952
tors. eta vs tors. theta energy: -197.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2361.374074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.374074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.374074 (E_RNA)
where:
Base-Base interactions energy: -1600.863
where: short stacking energy: -676.958
Base-Backbone interact. energy: -2.409
local terms energy: -758.102080
where:
bonds (distance) C4'-P energy: -150.944
bonds (distance) P-C4' energy: -151.379
flat angles C4'-P-C4' energy: -169.560
flat angles P-C4'-P energy: -99.547
tors. eta vs tors. theta energy: -186.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2116.417644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.417644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.417644 (E_RNA)
where:
Base-Base interactions energy: -1396.635
where: short stacking energy: -596.110
Base-Backbone interact. energy: -3.052
local terms energy: -716.731069
where:
bonds (distance) C4'-P energy: -148.991
bonds (distance) P-C4' energy: -137.865
flat angles C4'-P-C4' energy: -157.471
flat angles P-C4'-P energy: -117.469
tors. eta vs tors. theta energy: -154.935
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: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1969.993630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.993630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.993630 (E_RNA)
where:
Base-Base interactions energy: -1266.513
where: short stacking energy: -572.325
Base-Backbone interact. energy: -2.917
local terms energy: -700.563624
where:
bonds (distance) C4'-P energy: -139.534
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -173.503
flat angles P-C4'-P energy: -109.217
tors. eta vs tors. theta energy: -146.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1790.504994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.504994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.504994 (E_RNA)
where:
Base-Base interactions energy: -1166.116
where: short stacking energy: -532.234
Base-Backbone interact. energy: -1.125
local terms energy: -623.263516
where:
bonds (distance) C4'-P energy: -119.784
bonds (distance) P-C4' energy: -145.667
flat angles C4'-P-C4' energy: -141.925
flat angles P-C4'-P energy: -101.322
tors. eta vs tors. theta energy: -114.566
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1251.143987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.143987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.143987 (E_RNA)
where:
Base-Base interactions energy: -728.454
where: short stacking energy: -357.880
Base-Backbone interact. energy: -1.982
local terms energy: -520.707631
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -145.617
flat angles C4'-P-C4' energy: -140.805
flat angles P-C4'-P energy: -67.623
tors. eta vs tors. theta energy: -48.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -967.488373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.488373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.488373 (E_RNA)
where:
Base-Base interactions energy: -512.407
where: short stacking energy: -259.891
Base-Backbone interact. energy: 0.640
local terms energy: -455.721592
where:
bonds (distance) C4'-P energy: -120.625
bonds (distance) P-C4' energy: -112.621
flat angles C4'-P-C4' energy: -117.351
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -791.090732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.090732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.090732 (E_RNA)
where:
Base-Base interactions energy: -363.189
where: short stacking energy: -209.740
Base-Backbone interact. energy: 2.328
local terms energy: -430.229668
where:
bonds (distance) C4'-P energy: -104.548
bonds (distance) P-C4' energy: -142.082
flat angles C4'-P-C4' energy: -132.006
flat angles P-C4'-P energy: -66.475
tors. eta vs tors. theta energy: 14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2712.875715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.875715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.875715 (E_RNA)
where:
Base-Base interactions energy: -1846.711
where: short stacking energy: -807.827
Base-Backbone interact. energy: -2.453
local terms energy: -863.711643
where:
bonds (distance) C4'-P energy: -161.591
bonds (distance) P-C4' energy: -158.596
flat angles C4'-P-C4' energy: -180.083
flat angles P-C4'-P energy: -129.444
tors. eta vs tors. theta energy: -233.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2548.731302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.731302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.731302 (E_RNA)
where:
Base-Base interactions energy: -1705.955
where: short stacking energy: -746.990
Base-Backbone interact. energy: 0.465
local terms energy: -843.240803
where:
bonds (distance) C4'-P energy: -153.355
bonds (distance) P-C4' energy: -158.568
flat angles C4'-P-C4' energy: -180.443
flat angles P-C4'-P energy: -123.172
tors. eta vs tors. theta energy: -227.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2514.245762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.245762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.245762 (E_RNA)
where:
Base-Base interactions energy: -1721.264
where: short stacking energy: -725.659
Base-Backbone interact. energy: -2.989
local terms energy: -789.992683
where:
bonds (distance) C4'-P energy: -150.105
bonds (distance) P-C4' energy: -161.959
flat angles C4'-P-C4' energy: -170.432
flat angles P-C4'-P energy: -110.071
tors. eta vs tors. theta energy: -197.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2366.413217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.413217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.413217 (E_RNA)
where:
Base-Base interactions energy: -1582.885
where: short stacking energy: -678.643
Base-Backbone interact. energy: -2.357
local terms energy: -781.171526
where:
bonds (distance) C4'-P energy: -149.079
bonds (distance) P-C4' energy: -160.396
flat angles C4'-P-C4' energy: -164.453
flat angles P-C4'-P energy: -104.537
tors. eta vs tors. theta energy: -202.706
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2093.183319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.183319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.183319 (E_RNA)
where:
Base-Base interactions energy: -1382.901
where: short stacking energy: -599.777
Base-Backbone interact. energy: 4.345
local terms energy: -714.627391
where:
bonds (distance) C4'-P energy: -142.262
bonds (distance) P-C4' energy: -161.193
flat angles C4'-P-C4' energy: -154.325
flat angles P-C4'-P energy: -96.868
tors. eta vs tors. theta energy: -159.979
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1991.651726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.651726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.651726 (E_RNA)
where:
Base-Base interactions energy: -1306.253
where: short stacking energy: -590.165
Base-Backbone interact. energy: -2.746
local terms energy: -682.652686
where:
bonds (distance) C4'-P energy: -143.749
bonds (distance) P-C4' energy: -148.034
flat angles C4'-P-C4' energy: -143.546
flat angles P-C4'-P energy: -104.679
tors. eta vs tors. theta energy: -142.644
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1778.815145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.815145 (E_RNA)
where:
Base-Base interactions energy: -1166.666
where: short stacking energy: -537.469
Base-Backbone interact. energy: 5.598
local terms energy: -617.747437
where:
bonds (distance) C4'-P energy: -124.608
bonds (distance) P-C4' energy: -130.858
flat angles C4'-P-C4' energy: -124.977
flat angles P-C4'-P energy: -109.018
tors. eta vs tors. theta energy: -128.287
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1254.719382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.719382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.719382 (E_RNA)
where:
Base-Base interactions energy: -753.349
where: short stacking energy: -360.194
Base-Backbone interact. energy: -0.845
local terms energy: -500.524678
where:
bonds (distance) C4'-P energy: -125.096
bonds (distance) P-C4' energy: -156.869
flat angles C4'-P-C4' energy: -119.626
flat angles P-C4'-P energy: -58.449
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -979.205794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.205794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.205794 (E_RNA)
where:
Base-Base interactions energy: -497.637
where: short stacking energy: -261.406
Base-Backbone interact. energy: 6.101
local terms energy: -487.670365
where:
bonds (distance) C4'-P energy: -131.534
bonds (distance) P-C4' energy: -142.758
flat angles C4'-P-C4' energy: -122.725
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -32.763
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: 200
Temperature: 1.350000
Total energy: -778.456066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.456066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.456066 (E_RNA)
where:
Base-Base interactions energy: -348.354
where: short stacking energy: -195.345
Base-Backbone interact. energy: 0.596
local terms energy: -430.697599
where:
bonds (distance) C4'-P energy: -136.260
bonds (distance) P-C4' energy: -120.674
flat angles C4'-P-C4' energy: -114.730
flat angles P-C4'-P energy: -76.159
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: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2703.922273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.922273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.922273 (E_RNA)
where:
Base-Base interactions energy: -1861.328
where: short stacking energy: -806.624
Base-Backbone interact. energy: -5.505
local terms energy: -837.089900
where:
bonds (distance) C4'-P energy: -150.822
bonds (distance) P-C4' energy: -168.848
flat angles C4'-P-C4' energy: -166.417
flat angles P-C4'-P energy: -121.928
tors. eta vs tors. theta energy: -229.075
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: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2589.173525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.173525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.173525 (E_RNA)
where:
Base-Base interactions energy: -1789.291
where: short stacking energy: -751.384
Base-Backbone interact. energy: 0.824
local terms energy: -800.706944
where:
bonds (distance) C4'-P energy: -154.462
bonds (distance) P-C4' energy: -152.434
flat angles C4'-P-C4' energy: -169.970
flat angles P-C4'-P energy: -116.604
tors. eta vs tors. theta energy: -207.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2493.827566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.827566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.827566 (E_RNA)
where:
Base-Base interactions energy: -1668.974
where: short stacking energy: -723.740
Base-Backbone interact. energy: -0.509
local terms energy: -824.344202
where:
bonds (distance) C4'-P energy: -160.476
bonds (distance) P-C4' energy: -154.120
flat angles C4'-P-C4' energy: -172.230
flat angles P-C4'-P energy: -116.652
tors. eta vs tors. theta energy: -220.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2366.647071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.647071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.647071 (E_RNA)
where:
Base-Base interactions energy: -1593.685
where: short stacking energy: -702.820
Base-Backbone interact. energy: -0.912
local terms energy: -772.050157
where:
bonds (distance) C4'-P energy: -142.065
bonds (distance) P-C4' energy: -153.358
flat angles C4'-P-C4' energy: -168.909
flat angles P-C4'-P energy: -112.668
tors. eta vs tors. theta energy: -195.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2094.974045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.974045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.974045 (E_RNA)
where:
Base-Base interactions energy: -1406.642
where: short stacking energy: -586.698
Base-Backbone interact. energy: 3.958
local terms energy: -692.289602
where:
bonds (distance) C4'-P energy: -147.503
bonds (distance) P-C4' energy: -137.988
flat angles C4'-P-C4' energy: -156.188
flat angles P-C4'-P energy: -108.077
tors. eta vs tors. theta energy: -142.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1954.302022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.302022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.302022 (E_RNA)
where:
Base-Base interactions energy: -1256.717
where: short stacking energy: -578.057
Base-Backbone interact. energy: -1.029
local terms energy: -696.556096
where:
bonds (distance) C4'-P energy: -149.408
bonds (distance) P-C4' energy: -148.926
flat angles C4'-P-C4' energy: -156.962
flat angles P-C4'-P energy: -85.888
tors. eta vs tors. theta energy: -155.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1729.850208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.850208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.850208 (E_RNA)
where:
Base-Base interactions energy: -1091.541
where: short stacking energy: -484.180
Base-Backbone interact. energy: -0.850
local terms energy: -637.459365
where:
bonds (distance) C4'-P energy: -138.808
bonds (distance) P-C4' energy: -147.311
flat angles C4'-P-C4' energy: -151.158
flat angles P-C4'-P energy: -84.818
tors. eta vs tors. theta energy: -115.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1202.439071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.439071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.439071 (E_RNA)
where:
Base-Base interactions energy: -686.301
where: short stacking energy: -359.084
Base-Backbone interact. energy: 0.074
local terms energy: -516.212111
where:
bonds (distance) C4'-P energy: -127.748
bonds (distance) P-C4' energy: -134.720
flat angles C4'-P-C4' energy: -133.429
flat angles P-C4'-P energy: -80.299
tors. eta vs tors. theta energy: -40.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -958.849392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.849392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.849392 (E_RNA)
where:
Base-Base interactions energy: -479.072
where: short stacking energy: -265.544
Base-Backbone interact. energy: 3.657
local terms energy: -483.433702
where:
bonds (distance) C4'-P energy: -139.293
bonds (distance) P-C4' energy: -150.330
flat angles C4'-P-C4' energy: -123.342
flat angles P-C4'-P energy: -60.989
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -802.270904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.270904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.270904 (E_RNA)
where:
Base-Base interactions energy: -355.505
where: short stacking energy: -213.704
Base-Backbone interact. energy: 2.932
local terms energy: -449.697649
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -144.567
flat angles C4'-P-C4' energy: -125.195
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: 16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2714.249081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.249081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.249081 (E_RNA)
where:
Base-Base interactions energy: -1876.867
where: short stacking energy: -809.428
Base-Backbone interact. energy: -4.978
local terms energy: -832.403908
where:
bonds (distance) C4'-P energy: -154.983
bonds (distance) P-C4' energy: -151.611
flat angles C4'-P-C4' energy: -175.256
flat angles P-C4'-P energy: -117.763
tors. eta vs tors. theta energy: -232.791
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: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2563.340580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.340580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.340580 (E_RNA)
where:
Base-Base interactions energy: -1753.961
where: short stacking energy: -755.517
Base-Backbone interact. energy: -1.024
local terms energy: -808.355728
where:
bonds (distance) C4'-P energy: -154.842
bonds (distance) P-C4' energy: -156.840
flat angles C4'-P-C4' energy: -181.622
flat angles P-C4'-P energy: -104.508
tors. eta vs tors. theta energy: -210.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2517.973177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.973177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.973177 (E_RNA)
where:
Base-Base interactions energy: -1683.126
where: short stacking energy: -774.649
Base-Backbone interact. energy: -3.890
local terms energy: -830.957255
where:
bonds (distance) C4'-P energy: -141.180
bonds (distance) P-C4' energy: -149.743
flat angles C4'-P-C4' energy: -180.753
flat angles P-C4'-P energy: -127.022
tors. eta vs tors. theta energy: -232.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2312.256289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.256289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.256289 (E_RNA)
where:
Base-Base interactions energy: -1552.368
where: short stacking energy: -663.399
Base-Backbone interact. energy: -0.892
local terms energy: -758.996221
where:
bonds (distance) C4'-P energy: -145.621
bonds (distance) P-C4' energy: -147.754
flat angles C4'-P-C4' energy: -181.285
flat angles P-C4'-P energy: -119.267
tors. eta vs tors. theta energy: -165.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2149.461019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.461019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.461019 (E_RNA)
where:
Base-Base interactions energy: -1465.329
where: short stacking energy: -611.503
Base-Backbone interact. energy: -2.404
local terms energy: -681.727345
where:
bonds (distance) C4'-P energy: -131.622
bonds (distance) P-C4' energy: -139.487
flat angles C4'-P-C4' energy: -159.107
flat angles P-C4'-P energy: -92.140
tors. eta vs tors. theta energy: -159.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1913.575549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.575549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.575549 (E_RNA)
where:
Base-Base interactions energy: -1220.825
where: short stacking energy: -554.170
Base-Backbone interact. energy: 3.129
local terms energy: -695.879337
where:
bonds (distance) C4'-P energy: -150.952
bonds (distance) P-C4' energy: -151.658
flat angles C4'-P-C4' energy: -142.164
flat angles P-C4'-P energy: -103.271
tors. eta vs tors. theta energy: -147.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1728.820883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.820883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.820883 (E_RNA)
where:
Base-Base interactions energy: -1115.566
where: short stacking energy: -482.801
Base-Backbone interact. energy: 3.513
local terms energy: -616.767236
where:
bonds (distance) C4'-P energy: -143.301
bonds (distance) P-C4' energy: -137.766
flat angles C4'-P-C4' energy: -143.080
flat angles P-C4'-P energy: -80.714
tors. eta vs tors. theta energy: -111.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1153.886208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.886208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.886208 (E_RNA)
where:
Base-Base interactions energy: -642.471
where: short stacking energy: -352.230
Base-Backbone interact. energy: 8.325
local terms energy: -519.740313
where:
bonds (distance) C4'-P energy: -116.721
bonds (distance) P-C4' energy: -136.055
flat angles C4'-P-C4' energy: -143.528
flat angles P-C4'-P energy: -78.572
tors. eta vs tors. theta energy: -44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -902.034641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.034641 (E_RNA)
where:
Base-Base interactions energy: -412.178
where: short stacking energy: -245.977
Base-Backbone interact. energy: 0.401
local terms energy: -490.258112
where:
bonds (distance) C4'-P energy: -145.550
bonds (distance) P-C4' energy: -141.880
flat angles C4'-P-C4' energy: -125.514
flat angles P-C4'-P energy: -78.758
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -846.434900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.434900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.434900 (E_RNA)
where:
Base-Base interactions energy: -431.168
where: short stacking energy: -234.909
Base-Backbone interact. energy: 4.439
local terms energy: -419.705529
where:
bonds (distance) C4'-P energy: -126.536
bonds (distance) P-C4' energy: -128.857
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2695.687169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.687169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.687169 (E_RNA)
where:
Base-Base interactions energy: -1829.074
where: short stacking energy: -768.797
Base-Backbone interact. energy: -0.338
local terms energy: -866.274538
where:
bonds (distance) C4'-P energy: -168.362
bonds (distance) P-C4' energy: -166.461
flat angles C4'-P-C4' energy: -179.451
flat angles P-C4'-P energy: -111.977
tors. eta vs tors. theta energy: -240.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2609.883756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.883756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.883756 (E_RNA)
where:
Base-Base interactions energy: -1769.210
where: short stacking energy: -747.943
Base-Backbone interact. energy: -3.871
local terms energy: -836.802255
where:
bonds (distance) C4'-P energy: -154.613
bonds (distance) P-C4' energy: -165.785
flat angles C4'-P-C4' energy: -186.036
flat angles P-C4'-P energy: -118.806
tors. eta vs tors. theta energy: -211.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2485.383671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.383671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.383671 (E_RNA)
where:
Base-Base interactions energy: -1648.872
where: short stacking energy: -728.175
Base-Backbone interact. energy: -4.284
local terms energy: -832.228090
where:
bonds (distance) C4'-P energy: -152.011
bonds (distance) P-C4' energy: -141.252
flat angles C4'-P-C4' energy: -181.448
flat angles P-C4'-P energy: -133.976
tors. eta vs tors. theta energy: -223.542
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2348.489011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.489011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.489011 (E_RNA)
where:
Base-Base interactions energy: -1597.511
where: short stacking energy: -684.814
Base-Backbone interact. energy: 4.005
local terms energy: -754.983497
where:
bonds (distance) C4'-P energy: -143.176
bonds (distance) P-C4' energy: -143.873
flat angles C4'-P-C4' energy: -167.757
flat angles P-C4'-P energy: -96.840
tors. eta vs tors. theta energy: -203.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2107.913083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.913083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.913083 (E_RNA)
where:
Base-Base interactions energy: -1427.463
where: short stacking energy: -583.427
Base-Backbone interact. energy: 2.627
local terms energy: -683.077528
where:
bonds (distance) C4'-P energy: -138.861
bonds (distance) P-C4' energy: -148.526
flat angles C4'-P-C4' energy: -146.417
flat angles P-C4'-P energy: -110.711
tors. eta vs tors. theta energy: -138.563
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: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2023.594461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.594461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.594461 (E_RNA)
where:
Base-Base interactions energy: -1311.368
where: short stacking energy: -600.535
Base-Backbone interact. energy: -2.541
local terms energy: -709.685777
where:
bonds (distance) C4'-P energy: -141.247
bonds (distance) P-C4' energy: -137.728
flat angles C4'-P-C4' energy: -152.850
flat angles P-C4'-P energy: -118.975
tors. eta vs tors. theta energy: -158.885
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1737.554530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.554530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.554530 (E_RNA)
where:
Base-Base interactions energy: -1128.306
where: short stacking energy: -472.166
Base-Backbone interact. energy: -4.439
local terms energy: -604.808922
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -145.195
flat angles C4'-P-C4' energy: -148.118
flat angles P-C4'-P energy: -98.457
tors. eta vs tors. theta energy: -101.950
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: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1141.115699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.115699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.115699 (E_RNA)
where:
Base-Base interactions energy: -626.298
where: short stacking energy: -308.157
Base-Backbone interact. energy: -1.954
local terms energy: -512.863735
where:
bonds (distance) C4'-P energy: -136.254
bonds (distance) P-C4' energy: -143.237
flat angles C4'-P-C4' energy: -121.229
flat angles P-C4'-P energy: -77.570
tors. eta vs tors. theta energy: -34.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -832.243426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.243426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.243426 (E_RNA)
where:
Base-Base interactions energy: -395.191
where: short stacking energy: -217.810
Base-Backbone interact. energy: 4.386
local terms energy: -441.438519
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -147.814
flat angles C4'-P-C4' energy: -122.029
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: 16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -770.695660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.695660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.695660 (E_RNA)
where:
Base-Base interactions energy: -338.337
where: short stacking energy: -217.959
Base-Backbone interact. energy: -1.407
local terms energy: -430.951868
where:
bonds (distance) C4'-P energy: -128.830
bonds (distance) P-C4' energy: -122.144
flat angles C4'-P-C4' energy: -119.167
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: 15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2705.703880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.703880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.703880 (E_RNA)
where:
Base-Base interactions energy: -1850.971
where: short stacking energy: -796.829
Base-Backbone interact. energy: -3.225
local terms energy: -851.508076
where:
bonds (distance) C4'-P energy: -170.093
bonds (distance) P-C4' energy: -167.155
flat angles C4'-P-C4' energy: -176.713
flat angles P-C4'-P energy: -100.099
tors. eta vs tors. theta energy: -237.448
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2610.426072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.426072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.426072 (E_RNA)
where:
Base-Base interactions energy: -1746.571
where: short stacking energy: -766.301
Base-Backbone interact. energy: -4.865
local terms energy: -858.989872
where:
bonds (distance) C4'-P energy: -167.313
bonds (distance) P-C4' energy: -162.172
flat angles C4'-P-C4' energy: -172.312
flat angles P-C4'-P energy: -122.269
tors. eta vs tors. theta energy: -234.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2462.532326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.532326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.532326 (E_RNA)
where:
Base-Base interactions energy: -1667.768
where: short stacking energy: -709.877
Base-Backbone interact. energy: -2.954
local terms energy: -791.811081
where:
bonds (distance) C4'-P energy: -157.274
bonds (distance) P-C4' energy: -156.930
flat angles C4'-P-C4' energy: -159.602
flat angles P-C4'-P energy: -99.258
tors. eta vs tors. theta energy: -218.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2369.932558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.932558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.932558 (E_RNA)
where:
Base-Base interactions energy: -1568.503
where: short stacking energy: -680.706
Base-Backbone interact. energy: 1.137
local terms energy: -802.566634
where:
bonds (distance) C4'-P energy: -149.288
bonds (distance) P-C4' energy: -170.757
flat angles C4'-P-C4' energy: -163.523
flat angles P-C4'-P energy: -116.331
tors. eta vs tors. theta energy: -202.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2121.022223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.022223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.022223 (E_RNA)
where:
Base-Base interactions energy: -1444.880
where: short stacking energy: -604.642
Base-Backbone interact. energy: -0.436
local terms energy: -675.705768
where:
bonds (distance) C4'-P energy: -140.858
bonds (distance) P-C4' energy: -149.791
flat angles C4'-P-C4' energy: -135.243
flat angles P-C4'-P energy: -93.774
tors. eta vs tors. theta energy: -156.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1989.171812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.171812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.171812 (E_RNA)
where:
Base-Base interactions energy: -1263.128
where: short stacking energy: -582.161
Base-Backbone interact. energy: -1.297
local terms energy: -724.746132
where:
bonds (distance) C4'-P energy: -125.858
bonds (distance) P-C4' energy: -160.274
flat angles C4'-P-C4' energy: -167.952
flat angles P-C4'-P energy: -110.079
tors. eta vs tors. theta energy: -160.583
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: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1638.670738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.670738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.670738 (E_RNA)
where:
Base-Base interactions energy: -1046.572
where: short stacking energy: -472.546
Base-Backbone interact. energy: 2.171
local terms energy: -594.269407
where:
bonds (distance) C4'-P energy: -144.962
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -121.410
flat angles P-C4'-P energy: -85.121
tors. eta vs tors. theta energy: -107.321
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: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1155.229743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.229743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.229743 (E_RNA)
where:
Base-Base interactions energy: -643.166
where: short stacking energy: -330.753
Base-Backbone interact. energy: 2.039
local terms energy: -514.103065
where:
bonds (distance) C4'-P energy: -136.330
bonds (distance) P-C4' energy: -142.180
flat angles C4'-P-C4' energy: -129.848
flat angles P-C4'-P energy: -70.485
tors. eta vs tors. theta energy: -35.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -899.958496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.958496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.958496 (E_RNA)
where:
Base-Base interactions energy: -422.668
where: short stacking energy: -244.075
Base-Backbone interact. energy: -0.695
local terms energy: -476.595859
where:
bonds (distance) C4'-P energy: -142.396
bonds (distance) P-C4' energy: -135.162
flat angles C4'-P-C4' energy: -106.354
flat angles P-C4'-P energy: -76.778
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -797.891362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.891362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.891362 (E_RNA)
where:
Base-Base interactions energy: -363.154
where: short stacking energy: -239.791
Base-Backbone interact. energy: 0.170
local terms energy: -434.907352
where:
bonds (distance) C4'-P energy: -121.280
bonds (distance) P-C4' energy: -145.836
flat angles C4'-P-C4' energy: -121.744
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: 0.183
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: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2714.047024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.047024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.047024 (E_RNA)
where:
Base-Base interactions energy: -1866.802
where: short stacking energy: -782.633
Base-Backbone interact. energy: -5.200
local terms energy: -842.045544
where:
bonds (distance) C4'-P energy: -159.452
bonds (distance) P-C4' energy: -165.910
flat angles C4'-P-C4' energy: -172.456
flat angles P-C4'-P energy: -122.591
tors. eta vs tors. theta energy: -221.637
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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2651.480016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.480016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.480016 (E_RNA)
where:
Base-Base interactions energy: -1810.971
where: short stacking energy: -741.018
Base-Backbone interact. energy: -2.352
local terms energy: -838.157507
where:
bonds (distance) C4'-P energy: -159.745
bonds (distance) P-C4' energy: -174.302
flat angles C4'-P-C4' energy: -177.066
flat angles P-C4'-P energy: -115.660
tors. eta vs tors. theta energy: -211.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2460.764445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.764445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.764445 (E_RNA)
where:
Base-Base interactions energy: -1667.134
where: short stacking energy: -709.250
Base-Backbone interact. energy: -1.924
local terms energy: -791.706601
where:
bonds (distance) C4'-P energy: -143.489
bonds (distance) P-C4' energy: -170.319
flat angles C4'-P-C4' energy: -154.395
flat angles P-C4'-P energy: -108.875
tors. eta vs tors. theta energy: -214.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2347.244701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.244701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.244701 (E_RNA)
where:
Base-Base interactions energy: -1600.952
where: short stacking energy: -681.108
Base-Backbone interact. energy: -0.300
local terms energy: -745.992951
where:
bonds (distance) C4'-P energy: -133.453
bonds (distance) P-C4' energy: -136.810
flat angles C4'-P-C4' energy: -169.123
flat angles P-C4'-P energy: -109.543
tors. eta vs tors. theta energy: -197.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2198.250182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.250182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.250182 (E_RNA)
where:
Base-Base interactions energy: -1466.955
where: short stacking energy: -628.392
Base-Backbone interact. energy: -3.843
local terms energy: -727.451724
where:
bonds (distance) C4'-P energy: -153.591
bonds (distance) P-C4' energy: -147.053
flat angles C4'-P-C4' energy: -161.185
flat angles P-C4'-P energy: -106.537
tors. eta vs tors. theta energy: -159.087
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: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1979.681158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.681158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.681158 (E_RNA)
where:
Base-Base interactions energy: -1285.111
where: short stacking energy: -584.842
Base-Backbone interact. energy: -0.918
local terms energy: -693.652427
where:
bonds (distance) C4'-P energy: -134.584
bonds (distance) P-C4' energy: -137.053
flat angles C4'-P-C4' energy: -169.020
flat angles P-C4'-P energy: -93.752
tors. eta vs tors. theta energy: -159.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1735.338287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.338287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.338287 (E_RNA)
where:
Base-Base interactions energy: -1097.267
where: short stacking energy: -505.876
Base-Backbone interact. energy: -1.766
local terms energy: -636.305690
where:
bonds (distance) C4'-P energy: -123.234
bonds (distance) P-C4' energy: -144.110
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -98.608
tors. eta vs tors. theta energy: -123.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1191.076898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.076898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.076898 (E_RNA)
where:
Base-Base interactions energy: -642.817
where: short stacking energy: -304.176
Base-Backbone interact. energy: 4.238
local terms energy: -552.497915
where:
bonds (distance) C4'-P energy: -138.871
bonds (distance) P-C4' energy: -153.104
flat angles C4'-P-C4' energy: -129.846
flat angles P-C4'-P energy: -90.602
tors. eta vs tors. theta energy: -40.074
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: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -913.406289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.406289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.406289 (E_RNA)
where:
Base-Base interactions energy: -441.362
where: short stacking energy: -259.883
Base-Backbone interact. energy: -3.147
local terms energy: -468.896950
where:
bonds (distance) C4'-P energy: -132.869
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -105.932
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -773.940362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.940362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.940362 (E_RNA)
where:
Base-Base interactions energy: -339.237
where: short stacking energy: -212.480
Base-Backbone interact. energy: 4.754
local terms energy: -439.457789
where:
bonds (distance) C4'-P energy: -115.618
bonds (distance) P-C4' energy: -144.567
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -74.641
tors. eta vs tors. theta energy: 12.807
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: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2728.217946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.217946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.217946 (E_RNA)
where:
Base-Base interactions energy: -1860.968
where: short stacking energy: -789.484
Base-Backbone interact. energy: -3.061
local terms energy: -864.188577
where:
bonds (distance) C4'-P energy: -163.204
bonds (distance) P-C4' energy: -155.427
flat angles C4'-P-C4' energy: -175.394
flat angles P-C4'-P energy: -133.707
tors. eta vs tors. theta energy: -236.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2649.059769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.059769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.059769 (E_RNA)
where:
Base-Base interactions energy: -1791.721
where: short stacking energy: -772.114
Base-Backbone interact. energy: -3.543
local terms energy: -853.795740
where:
bonds (distance) C4'-P energy: -158.131
bonds (distance) P-C4' energy: -151.813
flat angles C4'-P-C4' energy: -173.055
flat angles P-C4'-P energy: -136.623
tors. eta vs tors. theta energy: -234.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2494.746364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.746364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.746364 (E_RNA)
where:
Base-Base interactions energy: -1705.805
where: short stacking energy: -755.676
Base-Backbone interact. energy: 2.433
local terms energy: -791.374690
where:
bonds (distance) C4'-P energy: -129.802
bonds (distance) P-C4' energy: -142.423
flat angles C4'-P-C4' energy: -182.425
flat angles P-C4'-P energy: -114.657
tors. eta vs tors. theta energy: -222.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2330.234798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.234798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.234798 (E_RNA)
where:
Base-Base interactions energy: -1573.000
where: short stacking energy: -684.382
Base-Backbone interact. energy: -0.776
local terms energy: -756.459158
where:
bonds (distance) C4'-P energy: -144.362
bonds (distance) P-C4' energy: -140.539
flat angles C4'-P-C4' energy: -177.947
flat angles P-C4'-P energy: -100.867
tors. eta vs tors. theta energy: -192.743
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: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2163.136482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.136482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.136482 (E_RNA)
where:
Base-Base interactions energy: -1453.452
where: short stacking energy: -605.433
Base-Backbone interact. energy: -4.357
local terms energy: -705.327764
where:
bonds (distance) C4'-P energy: -132.489
bonds (distance) P-C4' energy: -156.976
flat angles C4'-P-C4' energy: -159.580
flat angles P-C4'-P energy: -101.055
tors. eta vs tors. theta energy: -155.229
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: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1970.019871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.019871 (E_RNA)
where:
Base-Base interactions energy: -1262.829
where: short stacking energy: -559.956
Base-Backbone interact. energy: -1.515
local terms energy: -705.676020
where:
bonds (distance) C4'-P energy: -148.267
bonds (distance) P-C4' energy: -130.923
flat angles C4'-P-C4' energy: -170.565
flat angles P-C4'-P energy: -90.190
tors. eta vs tors. theta energy: -165.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1763.087713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.087713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.087713 (E_RNA)
where:
Base-Base interactions energy: -1120.288
where: short stacking energy: -518.099
Base-Backbone interact. energy: -0.907
local terms energy: -641.893325
where:
bonds (distance) C4'-P energy: -148.339
bonds (distance) P-C4' energy: -130.528
flat angles C4'-P-C4' energy: -141.241
flat angles P-C4'-P energy: -100.144
tors. eta vs tors. theta energy: -121.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1224.840192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.840192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.840192 (E_RNA)
where:
Base-Base interactions energy: -708.020
where: short stacking energy: -344.034
Base-Backbone interact. energy: 3.692
local terms energy: -520.512083
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -147.164
flat angles C4'-P-C4' energy: -137.137
flat angles P-C4'-P energy: -75.940
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -921.001751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.001751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.001751 (E_RNA)
where:
Base-Base interactions energy: -432.360
where: short stacking energy: -242.575
Base-Backbone interact. energy: 1.831
local terms energy: -490.473152
where:
bonds (distance) C4'-P energy: -141.156
bonds (distance) P-C4' energy: -150.292
flat angles C4'-P-C4' energy: -94.504
flat angles P-C4'-P energy: -75.913
tors. eta vs tors. theta energy: -28.607
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: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -889.163370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.163370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.163370 (E_RNA)
where:
Base-Base interactions energy: -461.508
where: short stacking energy: -239.921
Base-Backbone interact. energy: 2.449
local terms energy: -430.104061
where:
bonds (distance) C4'-P energy: -132.504
bonds (distance) P-C4' energy: -104.989
flat angles C4'-P-C4' energy: -123.949
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2671.888527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.888527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.888527 (E_RNA)
where:
Base-Base interactions energy: -1842.424
where: short stacking energy: -765.711
Base-Backbone interact. energy: 0.782
local terms energy: -830.246356
where:
bonds (distance) C4'-P energy: -161.239
bonds (distance) P-C4' energy: -156.654
flat angles C4'-P-C4' energy: -174.713
flat angles P-C4'-P energy: -114.551
tors. eta vs tors. theta energy: -223.089
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: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2614.667261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.667261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.667261 (E_RNA)
where:
Base-Base interactions energy: -1810.457
where: short stacking energy: -730.400
Base-Backbone interact. energy: -3.036
local terms energy: -801.174476
where:
bonds (distance) C4'-P energy: -152.539
bonds (distance) P-C4' energy: -169.738
flat angles C4'-P-C4' energy: -172.116
flat angles P-C4'-P energy: -111.549
tors. eta vs tors. theta energy: -195.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2523.711018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.711018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.711018 (E_RNA)
where:
Base-Base interactions energy: -1712.619
where: short stacking energy: -736.712
Base-Backbone interact. energy: -3.113
local terms energy: -807.979370
where:
bonds (distance) C4'-P energy: -137.932
bonds (distance) P-C4' energy: -164.215
flat angles C4'-P-C4' energy: -174.411
flat angles P-C4'-P energy: -107.487
tors. eta vs tors. theta energy: -223.934
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2313.479501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.479501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.479501 (E_RNA)
where:
Base-Base interactions energy: -1550.998
where: short stacking energy: -664.259
Base-Backbone interact. energy: -0.805
local terms energy: -761.676388
where:
bonds (distance) C4'-P energy: -164.229
bonds (distance) P-C4' energy: -155.642
flat angles C4'-P-C4' energy: -171.802
flat angles P-C4'-P energy: -88.812
tors. eta vs tors. theta energy: -181.192
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2168.312374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.312374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.312374 (E_RNA)
where:
Base-Base interactions energy: -1460.181
where: short stacking energy: -627.143
Base-Backbone interact. energy: -4.410
local terms energy: -703.897408
where:
bonds (distance) C4'-P energy: -135.947
bonds (distance) P-C4' energy: -163.974
flat angles C4'-P-C4' energy: -155.494
flat angles P-C4'-P energy: -101.924
tors. eta vs tors. theta energy: -146.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1883.676397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.676397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.676397 (E_RNA)
where:
Base-Base interactions energy: -1222.109
where: short stacking energy: -544.414
Base-Backbone interact. energy: 1.994
local terms energy: -663.561983
where:
bonds (distance) C4'-P energy: -134.527
bonds (distance) P-C4' energy: -142.255
flat angles C4'-P-C4' energy: -163.343
flat angles P-C4'-P energy: -93.101
tors. eta vs tors. theta energy: -130.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1801.499126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.499126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.499126 (E_RNA)
where:
Base-Base interactions energy: -1154.282
where: short stacking energy: -514.686
Base-Backbone interact. energy: 0.701
local terms energy: -647.917993
where:
bonds (distance) C4'-P energy: -149.803
bonds (distance) P-C4' energy: -136.414
flat angles C4'-P-C4' energy: -137.859
flat angles P-C4'-P energy: -96.249
tors. eta vs tors. theta energy: -127.593
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1226.254171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.254171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.254171 (E_RNA)
where:
Base-Base interactions energy: -713.520
where: short stacking energy: -334.524
Base-Backbone interact. energy: 0.582
local terms energy: -513.315442
where:
bonds (distance) C4'-P energy: -130.031
bonds (distance) P-C4' energy: -129.042
flat angles C4'-P-C4' energy: -136.369
flat angles P-C4'-P energy: -73.146
tors. eta vs tors. theta energy: -44.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -910.437745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.437745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.437745 (E_RNA)
where:
Base-Base interactions energy: -470.266
where: short stacking energy: -263.052
Base-Backbone interact. energy: 2.961
local terms energy: -443.133007
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -141.085
flat angles C4'-P-C4' energy: -118.850
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -10.772
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: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -887.784120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.784120 (E_RNA)
where:
Base-Base interactions energy: -452.801
where: short stacking energy: -222.904
Base-Backbone interact. energy: -0.011
local terms energy: -434.972403
where:
bonds (distance) C4'-P energy: -122.294
bonds (distance) P-C4' energy: -131.184
flat angles C4'-P-C4' energy: -106.947
flat angles P-C4'-P energy: -71.196
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2742.711089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.711089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.711089 (E_RNA)
where:
Base-Base interactions energy: -1901.301
where: short stacking energy: -819.673
Base-Backbone interact. energy: -4.971
local terms energy: -836.439297
where:
bonds (distance) C4'-P energy: -159.116
bonds (distance) P-C4' energy: -152.058
flat angles C4'-P-C4' energy: -174.412
flat angles P-C4'-P energy: -111.800
tors. eta vs tors. theta energy: -239.054
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: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2655.415177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.415177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.415177 (E_RNA)
where:
Base-Base interactions energy: -1801.294
where: short stacking energy: -760.314
Base-Backbone interact. energy: -3.138
local terms energy: -850.983242
where:
bonds (distance) C4'-P energy: -170.865
bonds (distance) P-C4' energy: -152.525
flat angles C4'-P-C4' energy: -185.763
flat angles P-C4'-P energy: -117.714
tors. eta vs tors. theta energy: -224.117
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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2504.830169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.830169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.830169 (E_RNA)
where:
Base-Base interactions energy: -1687.314
where: short stacking energy: -735.919
Base-Backbone interact. energy: -5.443
local terms energy: -812.073034
where:
bonds (distance) C4'-P energy: -145.830
bonds (distance) P-C4' energy: -156.476
flat angles C4'-P-C4' energy: -169.732
flat angles P-C4'-P energy: -110.966
tors. eta vs tors. theta energy: -229.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2304.122068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.122068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.122068 (E_RNA)
where:
Base-Base interactions energy: -1536.869
where: short stacking energy: -673.292
Base-Backbone interact. energy: -2.763
local terms energy: -764.490701
where:
bonds (distance) C4'-P energy: -154.494
bonds (distance) P-C4' energy: -155.815
flat angles C4'-P-C4' energy: -168.936
flat angles P-C4'-P energy: -103.537
tors. eta vs tors. theta energy: -181.709
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2163.873059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.873059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.873059 (E_RNA)
where:
Base-Base interactions energy: -1445.997
where: short stacking energy: -603.410
Base-Backbone interact. energy: -2.205
local terms energy: -715.671174
where:
bonds (distance) C4'-P energy: -140.168
bonds (distance) P-C4' energy: -163.519
flat angles C4'-P-C4' energy: -149.142
flat angles P-C4'-P energy: -105.824
tors. eta vs tors. theta energy: -157.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1899.838170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.838170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.838170 (E_RNA)
where:
Base-Base interactions energy: -1198.616
where: short stacking energy: -532.161
Base-Backbone interact. energy: -3.863
local terms energy: -697.358601
where:
bonds (distance) C4'-P energy: -147.799
bonds (distance) P-C4' energy: -165.066
flat angles C4'-P-C4' energy: -159.455
flat angles P-C4'-P energy: -102.141
tors. eta vs tors. theta energy: -122.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1725.891165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.891165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.891165 (E_RNA)
where:
Base-Base interactions energy: -1116.283
where: short stacking energy: -472.155
Base-Backbone interact. energy: -0.489
local terms energy: -609.118949
where:
bonds (distance) C4'-P energy: -129.045
bonds (distance) P-C4' energy: -129.304
flat angles C4'-P-C4' energy: -156.853
flat angles P-C4'-P energy: -91.826
tors. eta vs tors. theta energy: -102.091
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: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1243.339834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.339834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.339834 (E_RNA)
where:
Base-Base interactions energy: -700.096
where: short stacking energy: -328.557
Base-Backbone interact. energy: -1.923
local terms energy: -541.320443
where:
bonds (distance) C4'-P energy: -149.693
bonds (distance) P-C4' energy: -137.798
flat angles C4'-P-C4' energy: -146.170
flat angles P-C4'-P energy: -77.386
tors. eta vs tors. theta energy: -30.273
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: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -929.914580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.914580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.914580 (E_RNA)
where:
Base-Base interactions energy: -443.814
where: short stacking energy: -248.605
Base-Backbone interact. energy: -1.506
local terms energy: -484.594280
where:
bonds (distance) C4'-P energy: -108.861
bonds (distance) P-C4' energy: -154.150
flat angles C4'-P-C4' energy: -133.600
flat angles P-C4'-P energy: -82.410
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -864.428911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.428911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.428911 (E_RNA)
where:
Base-Base interactions energy: -409.264
where: short stacking energy: -222.050
Base-Backbone interact. energy: -0.867
local terms energy: -454.297934
where:
bonds (distance) C4'-P energy: -122.254
bonds (distance) P-C4' energy: -130.539
flat angles C4'-P-C4' energy: -120.794
flat angles P-C4'-P energy: -80.355
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2733.178708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.178708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.178708 (E_RNA)
where:
Base-Base interactions energy: -1871.840
where: short stacking energy: -805.867
Base-Backbone interact. energy: -3.687
local terms energy: -857.651858
where:
bonds (distance) C4'-P energy: -161.528
bonds (distance) P-C4' energy: -164.355
flat angles C4'-P-C4' energy: -165.652
flat angles P-C4'-P energy: -120.083
tors. eta vs tors. theta energy: -246.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2640.548686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.548686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.548686 (E_RNA)
where:
Base-Base interactions energy: -1807.882
where: short stacking energy: -765.650
Base-Backbone interact. energy: -3.030
local terms energy: -829.636727
where:
bonds (distance) C4'-P energy: -156.607
bonds (distance) P-C4' energy: -165.410
flat angles C4'-P-C4' energy: -177.742
flat angles P-C4'-P energy: -114.692
tors. eta vs tors. theta energy: -215.186
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: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2483.722910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.722910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.722910 (E_RNA)
where:
Base-Base interactions energy: -1662.973
where: short stacking energy: -719.183
Base-Backbone interact. energy: -0.800
local terms energy: -819.950063
where:
bonds (distance) C4'-P energy: -149.260
bonds (distance) P-C4' energy: -156.841
flat angles C4'-P-C4' energy: -182.285
flat angles P-C4'-P energy: -121.698
tors. eta vs tors. theta energy: -209.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2251.046040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.046040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.046040 (E_RNA)
where:
Base-Base interactions energy: -1503.510
where: short stacking energy: -638.052
Base-Backbone interact. energy: -0.181
local terms energy: -747.354602
where:
bonds (distance) C4'-P energy: -144.799
bonds (distance) P-C4' energy: -157.292
flat angles C4'-P-C4' energy: -167.829
flat angles P-C4'-P energy: -101.329
tors. eta vs tors. theta energy: -176.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2213.165852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.165852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.165852 (E_RNA)
where:
Base-Base interactions energy: -1496.829
where: short stacking energy: -635.466
Base-Backbone interact. energy: -1.471
local terms energy: -714.866449
where:
bonds (distance) C4'-P energy: -142.003
bonds (distance) P-C4' energy: -142.893
flat angles C4'-P-C4' energy: -164.380
flat angles P-C4'-P energy: -88.768
tors. eta vs tors. theta energy: -176.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1920.505392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.505392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.505392 (E_RNA)
where:
Base-Base interactions energy: -1236.249
where: short stacking energy: -562.943
Base-Backbone interact. energy: -3.841
local terms energy: -680.415595
where:
bonds (distance) C4'-P energy: -150.637
bonds (distance) P-C4' energy: -122.945
flat angles C4'-P-C4' energy: -161.493
flat angles P-C4'-P energy: -92.493
tors. eta vs tors. theta energy: -152.847
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: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1751.219477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.219477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.219477 (E_RNA)
where:
Base-Base interactions energy: -1162.667
where: short stacking energy: -497.031
Base-Backbone interact. energy: -4.493
local terms energy: -584.058723
where:
bonds (distance) C4'-P energy: -135.395
bonds (distance) P-C4' energy: -121.215
flat angles C4'-P-C4' energy: -142.521
flat angles P-C4'-P energy: -81.888
tors. eta vs tors. theta energy: -103.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1307.326197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.326197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.326197 (E_RNA)
where:
Base-Base interactions energy: -773.174
where: short stacking energy: -358.249
Base-Backbone interact. energy: -0.663
local terms energy: -533.489240
where:
bonds (distance) C4'-P energy: -141.715
bonds (distance) P-C4' energy: -137.924
flat angles C4'-P-C4' energy: -128.721
flat angles P-C4'-P energy: -88.895
tors. eta vs tors. theta energy: -36.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -974.229796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.229796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.229796 (E_RNA)
where:
Base-Base interactions energy: -487.892
where: short stacking energy: -274.515
Base-Backbone interact. energy: -0.857
local terms energy: -485.481421
where:
bonds (distance) C4'-P energy: -119.953
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -132.448
flat angles P-C4'-P energy: -86.537
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -820.578849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.578849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.578849 (E_RNA)
where:
Base-Base interactions energy: -410.936
where: short stacking energy: -193.235
Base-Backbone interact. energy: -4.644
local terms energy: -404.999096
where:
bonds (distance) C4'-P energy: -132.862
bonds (distance) P-C4' energy: -111.628
flat angles C4'-P-C4' energy: -101.722
flat angles P-C4'-P energy: -78.272
tors. eta vs tors. theta energy: 19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2735.678476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.678476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.678476 (E_RNA)
where:
Base-Base interactions energy: -1887.246
where: short stacking energy: -794.532
Base-Backbone interact. energy: -4.387
local terms energy: -844.045352
where:
bonds (distance) C4'-P energy: -152.012
bonds (distance) P-C4' energy: -152.356
flat angles C4'-P-C4' energy: -179.645
flat angles P-C4'-P energy: -127.541
tors. eta vs tors. theta energy: -232.490
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2610.061711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.061711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.061711 (E_RNA)
where:
Base-Base interactions energy: -1789.105
where: short stacking energy: -751.800
Base-Backbone interact. energy: 4.944
local terms energy: -825.900120
where:
bonds (distance) C4'-P energy: -151.394
bonds (distance) P-C4' energy: -160.492
flat angles C4'-P-C4' energy: -167.185
flat angles P-C4'-P energy: -128.496
tors. eta vs tors. theta energy: -218.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2474.198185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.198185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.198185 (E_RNA)
where:
Base-Base interactions energy: -1678.197
where: short stacking energy: -734.305
Base-Backbone interact. energy: 2.032
local terms energy: -798.033757
where:
bonds (distance) C4'-P energy: -149.688
bonds (distance) P-C4' energy: -152.329
flat angles C4'-P-C4' energy: -182.069
flat angles P-C4'-P energy: -111.053
tors. eta vs tors. theta energy: -202.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2306.822063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.822063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.822063 (E_RNA)
where:
Base-Base interactions energy: -1553.507
where: short stacking energy: -649.578
Base-Backbone interact. energy: -0.100
local terms energy: -753.215294
where:
bonds (distance) C4'-P energy: -148.914
bonds (distance) P-C4' energy: -156.817
flat angles C4'-P-C4' energy: -149.905
flat angles P-C4'-P energy: -110.160
tors. eta vs tors. theta energy: -187.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2241.081969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.081969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.081969 (E_RNA)
where:
Base-Base interactions energy: -1518.218
where: short stacking energy: -645.199
Base-Backbone interact. energy: 0.644
local terms energy: -723.507987
where:
bonds (distance) C4'-P energy: -136.925
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -168.450
flat angles P-C4'-P energy: -105.051
tors. eta vs tors. theta energy: -170.668
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: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1969.027183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.027183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.027183 (E_RNA)
where:
Base-Base interactions energy: -1266.939
where: short stacking energy: -601.521
Base-Backbone interact. energy: 3.108
local terms energy: -705.196284
where:
bonds (distance) C4'-P energy: -145.360
bonds (distance) P-C4' energy: -145.184
flat angles C4'-P-C4' energy: -171.945
flat angles P-C4'-P energy: -95.197
tors. eta vs tors. theta energy: -147.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1771.811976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.811976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.811976 (E_RNA)
where:
Base-Base interactions energy: -1177.988
where: short stacking energy: -497.641
Base-Backbone interact. energy: -0.743
local terms energy: -593.081344
where:
bonds (distance) C4'-P energy: -122.659
bonds (distance) P-C4' energy: -120.188
flat angles C4'-P-C4' energy: -136.844
flat angles P-C4'-P energy: -96.381
tors. eta vs tors. theta energy: -117.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1324.176084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.176084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.176084 (E_RNA)
where:
Base-Base interactions energy: -790.232
where: short stacking energy: -391.432
Base-Backbone interact. energy: 0.593
local terms energy: -534.537048
where:
bonds (distance) C4'-P energy: -115.489
bonds (distance) P-C4' energy: -147.198
flat angles C4'-P-C4' energy: -135.203
flat angles P-C4'-P energy: -72.656
tors. eta vs tors. theta energy: -63.991
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -903.864048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.864048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.864048 (E_RNA)
where:
Base-Base interactions energy: -424.764
where: short stacking energy: -239.469
Base-Backbone interact. energy: 1.378
local terms energy: -480.478071
where:
bonds (distance) C4'-P energy: -128.232
bonds (distance) P-C4' energy: -142.677
flat angles C4'-P-C4' energy: -118.075
flat angles P-C4'-P energy: -72.703
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -861.127575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.127575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.127575 (E_RNA)
where:
Base-Base interactions energy: -434.257
where: short stacking energy: -227.262
Base-Backbone interact. energy: 0.884
local terms energy: -427.754384
where:
bonds (distance) C4'-P energy: -114.743
bonds (distance) P-C4' energy: -138.203
flat angles C4'-P-C4' energy: -114.469
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -16.298
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2776.697551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.697551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.697551 (E_RNA)
where:
Base-Base interactions energy: -1918.912
where: short stacking energy: -796.350
Base-Backbone interact. energy: -5.830
local terms energy: -851.955363
where:
bonds (distance) C4'-P energy: -153.165
bonds (distance) P-C4' energy: -158.151
flat angles C4'-P-C4' energy: -180.107
flat angles P-C4'-P energy: -120.987
tors. eta vs tors. theta energy: -239.545
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: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2571.254295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.254295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.254295 (E_RNA)
where:
Base-Base interactions energy: -1765.131
where: short stacking energy: -734.990
Base-Backbone interact. energy: 2.709
local terms energy: -808.831808
where:
bonds (distance) C4'-P energy: -134.601
bonds (distance) P-C4' energy: -171.797
flat angles C4'-P-C4' energy: -178.855
flat angles P-C4'-P energy: -112.982
tors. eta vs tors. theta energy: -210.596
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: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2433.981362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.981362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.981362 (E_RNA)
where:
Base-Base interactions energy: -1648.739
where: short stacking energy: -711.554
Base-Backbone interact. energy: -1.773
local terms energy: -783.468766
where:
bonds (distance) C4'-P energy: -146.663
bonds (distance) P-C4' energy: -141.962
flat angles C4'-P-C4' energy: -173.461
flat angles P-C4'-P energy: -112.683
tors. eta vs tors. theta energy: -208.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2317.396007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.396007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.396007 (E_RNA)
where:
Base-Base interactions energy: -1541.234
where: short stacking energy: -677.757
Base-Backbone interact. energy: -2.758
local terms energy: -773.404581
where:
bonds (distance) C4'-P energy: -163.731
bonds (distance) P-C4' energy: -145.891
flat angles C4'-P-C4' energy: -171.154
flat angles P-C4'-P energy: -112.333
tors. eta vs tors. theta energy: -180.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2292.784063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.784063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.784063 (E_RNA)
where:
Base-Base interactions energy: -1540.488
where: short stacking energy: -661.246
Base-Backbone interact. energy: -1.348
local terms energy: -751.607608
where:
bonds (distance) C4'-P energy: -139.870
bonds (distance) P-C4' energy: -149.888
flat angles C4'-P-C4' energy: -161.792
flat angles P-C4'-P energy: -108.484
tors. eta vs tors. theta energy: -191.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.659 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1944.762568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.762568 (E_RNA)
where:
Base-Base interactions energy: -1228.949
where: short stacking energy: -568.924
Base-Backbone interact. energy: -0.807
local terms energy: -715.006718
where:
bonds (distance) C4'-P energy: -134.433
bonds (distance) P-C4' energy: -147.353
flat angles C4'-P-C4' energy: -165.991
flat angles P-C4'-P energy: -116.842
tors. eta vs tors. theta energy: -150.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1726.273133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.273133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.273133 (E_RNA)
where:
Base-Base interactions energy: -1093.494
where: short stacking energy: -491.004
Base-Backbone interact. energy: -2.004
local terms energy: -630.775402
where:
bonds (distance) C4'-P energy: -134.686
bonds (distance) P-C4' energy: -142.256
flat angles C4'-P-C4' energy: -155.411
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -119.593
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: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1265.600179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.600179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.600179 (E_RNA)
where:
Base-Base interactions energy: -758.088
where: short stacking energy: -363.949
Base-Backbone interact. energy: -1.297
local terms energy: -506.214817
where:
bonds (distance) C4'-P energy: -131.941
bonds (distance) P-C4' energy: -145.352
flat angles C4'-P-C4' energy: -121.838
flat angles P-C4'-P energy: -75.799
tors. eta vs tors. theta energy: -31.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -852.000110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.000110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.000110 (E_RNA)
where:
Base-Base interactions energy: -438.333
where: short stacking energy: -255.322
Base-Backbone interact. energy: 3.501
local terms energy: -417.168134
where:
bonds (distance) C4'-P energy: -122.673
bonds (distance) P-C4' energy: -130.695
flat angles C4'-P-C4' energy: -121.281
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: 10.823
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -833.004687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.004687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.004687 (E_RNA)
where:
Base-Base interactions energy: -401.668
where: short stacking energy: -222.850
Base-Backbone interact. energy: -3.198
local terms energy: -428.138248
where:
bonds (distance) C4'-P energy: -137.079
bonds (distance) P-C4' energy: -122.875
flat angles C4'-P-C4' energy: -113.656
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -7.860
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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2770.727124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.727124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.727124 (E_RNA)
where:
Base-Base interactions energy: -1907.448
where: short stacking energy: -808.167
Base-Backbone interact. energy: -3.690
local terms energy: -859.589171
where:
bonds (distance) C4'-P energy: -155.485
bonds (distance) P-C4' energy: -161.358
flat angles C4'-P-C4' energy: -181.074
flat angles P-C4'-P energy: -123.098
tors. eta vs tors. theta energy: -238.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2580.645146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.645146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.645146 (E_RNA)
where:
Base-Base interactions energy: -1766.483
where: short stacking energy: -742.808
Base-Backbone interact. energy: -3.432
local terms energy: -810.730973
where:
bonds (distance) C4'-P energy: -133.032
bonds (distance) P-C4' energy: -159.331
flat angles C4'-P-C4' energy: -190.301
flat angles P-C4'-P energy: -121.970
tors. eta vs tors. theta energy: -206.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2447.044140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.044140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.044140 (E_RNA)
where:
Base-Base interactions energy: -1621.753
where: short stacking energy: -753.893
Base-Backbone interact. energy: -5.236
local terms energy: -820.055125
where:
bonds (distance) C4'-P energy: -150.956
bonds (distance) P-C4' energy: -164.740
flat angles C4'-P-C4' energy: -179.139
flat angles P-C4'-P energy: -107.057
tors. eta vs tors. theta energy: -218.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2309.748619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.748619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.748619 (E_RNA)
where:
Base-Base interactions energy: -1564.032
where: short stacking energy: -675.185
Base-Backbone interact. energy: -0.422
local terms energy: -745.294958
where:
bonds (distance) C4'-P energy: -160.192
bonds (distance) P-C4' energy: -145.242
flat angles C4'-P-C4' energy: -150.940
flat angles P-C4'-P energy: -109.345
tors. eta vs tors. theta energy: -179.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2269.730031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.730031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.730031 (E_RNA)
where:
Base-Base interactions energy: -1525.169
where: short stacking energy: -631.979
Base-Backbone interact. energy: 0.017
local terms energy: -744.577425
where:
bonds (distance) C4'-P energy: -147.227
bonds (distance) P-C4' energy: -153.479
flat angles C4'-P-C4' energy: -156.183
flat angles P-C4'-P energy: -104.146
tors. eta vs tors. theta energy: -183.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1958.789655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.789655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.789655 (E_RNA)
where:
Base-Base interactions energy: -1279.737
where: short stacking energy: -579.043
Base-Backbone interact. energy: -2.795
local terms energy: -676.257444
where:
bonds (distance) C4'-P energy: -142.299
bonds (distance) P-C4' energy: -141.680
flat angles C4'-P-C4' energy: -148.365
flat angles P-C4'-P energy: -108.006
tors. eta vs tors. theta energy: -135.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1724.557777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.557777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.557777 (E_RNA)
where:
Base-Base interactions energy: -1101.271
where: short stacking energy: -491.529
Base-Backbone interact. energy: 0.339
local terms energy: -623.625620
where:
bonds (distance) C4'-P energy: -138.180
bonds (distance) P-C4' energy: -139.378
flat angles C4'-P-C4' energy: -141.300
flat angles P-C4'-P energy: -87.316
tors. eta vs tors. theta energy: -117.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1289.989255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.989255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.989255 (E_RNA)
where:
Base-Base interactions energy: -767.056
where: short stacking energy: -372.987
Base-Backbone interact. energy: -1.780
local terms energy: -521.153174
where:
bonds (distance) C4'-P energy: -136.826
bonds (distance) P-C4' energy: -128.927
flat angles C4'-P-C4' energy: -120.397
flat angles P-C4'-P energy: -89.709
tors. eta vs tors. theta energy: -45.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -833.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.685113 (E_RNA)
where:
Base-Base interactions energy: -417.511
where: short stacking energy: -238.983
Base-Backbone interact. energy: 7.813
local terms energy: -423.987306
where:
bonds (distance) C4'-P energy: -127.153
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -105.783
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -780.721340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.721340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.721340 (E_RNA)
where:
Base-Base interactions energy: -334.680
where: short stacking energy: -225.308
Base-Backbone interact. energy: 1.142
local terms energy: -447.184104
where:
bonds (distance) C4'-P energy: -128.118
bonds (distance) P-C4' energy: -119.844
flat angles C4'-P-C4' energy: -108.864
flat angles P-C4'-P energy: -82.022
tors. eta vs tors. theta energy: -8.336
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: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2735.685050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.685050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.685050 (E_RNA)
where:
Base-Base interactions energy: -1896.994
where: short stacking energy: -788.391
Base-Backbone interact. energy: -5.205
local terms energy: -833.485988
where:
bonds (distance) C4'-P energy: -150.283
bonds (distance) P-C4' energy: -163.837
flat angles C4'-P-C4' energy: -166.514
flat angles P-C4'-P energy: -127.160
tors. eta vs tors. theta energy: -225.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2603.227106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.227106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.227106 (E_RNA)
where:
Base-Base interactions energy: -1778.569
where: short stacking energy: -724.109
Base-Backbone interact. energy: -5.148
local terms energy: -819.510374
where:
bonds (distance) C4'-P energy: -159.100
bonds (distance) P-C4' energy: -177.792
flat angles C4'-P-C4' energy: -172.352
flat angles P-C4'-P energy: -107.758
tors. eta vs tors. theta energy: -202.509
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: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2439.196634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.196634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.196634 (E_RNA)
where:
Base-Base interactions energy: -1646.141
where: short stacking energy: -711.140
Base-Backbone interact. energy: -1.960
local terms energy: -791.095225
where:
bonds (distance) C4'-P energy: -141.847
bonds (distance) P-C4' energy: -159.250
flat angles C4'-P-C4' energy: -178.923
flat angles P-C4'-P energy: -106.095
tors. eta vs tors. theta energy: -204.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2380.292854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.292854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.292854 (E_RNA)
where:
Base-Base interactions energy: -1629.309
where: short stacking energy: -695.894
Base-Backbone interact. energy: -4.026
local terms energy: -746.957867
where:
bonds (distance) C4'-P energy: -145.070
bonds (distance) P-C4' energy: -135.629
flat angles C4'-P-C4' energy: -160.468
flat angles P-C4'-P energy: -103.160
tors. eta vs tors. theta energy: -202.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2267.412561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.412561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.412561 (E_RNA)
where:
Base-Base interactions energy: -1542.588
where: short stacking energy: -648.146
Base-Backbone interact. energy: -1.977
local terms energy: -722.847876
where:
bonds (distance) C4'-P energy: -135.719
bonds (distance) P-C4' energy: -155.951
flat angles C4'-P-C4' energy: -141.216
flat angles P-C4'-P energy: -106.096
tors. eta vs tors. theta energy: -183.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1941.760090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.760090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.760090 (E_RNA)
where:
Base-Base interactions energy: -1263.190
where: short stacking energy: -550.628
Base-Backbone interact. energy: 0.700
local terms energy: -679.269720
where:
bonds (distance) C4'-P energy: -130.167
bonds (distance) P-C4' energy: -157.710
flat angles C4'-P-C4' energy: -146.396
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -156.202
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: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1741.102238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.102238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.102238 (E_RNA)
where:
Base-Base interactions energy: -1127.603
where: short stacking energy: -504.022
Base-Backbone interact. energy: -5.227
local terms energy: -608.272541
where:
bonds (distance) C4'-P energy: -124.556
bonds (distance) P-C4' energy: -136.492
flat angles C4'-P-C4' energy: -134.677
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -126.047
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: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1312.732128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.732128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.732128 (E_RNA)
where:
Base-Base interactions energy: -796.756
where: short stacking energy: -364.764
Base-Backbone interact. energy: -2.357
local terms energy: -513.676804
where:
bonds (distance) C4'-P energy: -136.544
bonds (distance) P-C4' energy: -156.970
flat angles C4'-P-C4' energy: -124.437
flat angles P-C4'-P energy: -61.703
tors. eta vs tors. theta energy: -34.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -902.630750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.630750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.630750 (E_RNA)
where:
Base-Base interactions energy: -468.141
where: short stacking energy: -274.430
Base-Backbone interact. energy: -0.896
local terms energy: -433.594006
where:
bonds (distance) C4'-P energy: -129.581
bonds (distance) P-C4' energy: -128.280
flat angles C4'-P-C4' energy: -108.152
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -754.409632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.409632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.409632 (E_RNA)
where:
Base-Base interactions energy: -343.666
where: short stacking energy: -209.326
Base-Backbone interact. energy: -2.384
local terms energy: -408.359547
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -136.098
flat angles C4'-P-C4' energy: -125.500
flat angles P-C4'-P energy: -65.416
tors. eta vs tors. theta energy: 15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2734.248232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.248232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.248232 (E_RNA)
where:
Base-Base interactions energy: -1872.183
where: short stacking energy: -793.505
Base-Backbone interact. energy: -4.182
local terms energy: -857.883926
where:
bonds (distance) C4'-P energy: -150.561
bonds (distance) P-C4' energy: -175.748
flat angles C4'-P-C4' energy: -180.565
flat angles P-C4'-P energy: -122.980
tors. eta vs tors. theta energy: -228.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2593.755256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.755256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.755256 (E_RNA)
where:
Base-Base interactions energy: -1796.832
where: short stacking energy: -733.164
Base-Backbone interact. energy: -1.708
local terms energy: -795.214473
where:
bonds (distance) C4'-P energy: -142.497
bonds (distance) P-C4' energy: -159.538
flat angles C4'-P-C4' energy: -180.343
flat angles P-C4'-P energy: -110.026
tors. eta vs tors. theta energy: -202.810
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: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2493.807923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.807923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.807923 (E_RNA)
where:
Base-Base interactions energy: -1673.211
where: short stacking energy: -721.954
Base-Backbone interact. energy: -1.914
local terms energy: -818.682778
where:
bonds (distance) C4'-P energy: -155.698
bonds (distance) P-C4' energy: -151.859
flat angles C4'-P-C4' energy: -175.166
flat angles P-C4'-P energy: -117.725
tors. eta vs tors. theta energy: -218.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2404.551674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.551674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.551674 (E_RNA)
where:
Base-Base interactions energy: -1665.485
where: short stacking energy: -699.269
Base-Backbone interact. energy: -6.932
local terms energy: -732.134299
where:
bonds (distance) C4'-P energy: -136.392
bonds (distance) P-C4' energy: -140.476
flat angles C4'-P-C4' energy: -158.204
flat angles P-C4'-P energy: -104.784
tors. eta vs tors. theta energy: -192.279
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: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2301.080468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.080468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.080468 (E_RNA)
where:
Base-Base interactions energy: -1570.246
where: short stacking energy: -656.192
Base-Backbone interact. energy: 0.304
local terms energy: -731.139242
where:
bonds (distance) C4'-P energy: -145.493
bonds (distance) P-C4' energy: -129.617
flat angles C4'-P-C4' energy: -174.630
flat angles P-C4'-P energy: -95.048
tors. eta vs tors. theta energy: -186.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1984.640723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.640723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.640723 (E_RNA)
where:
Base-Base interactions energy: -1270.451
where: short stacking energy: -574.924
Base-Backbone interact. energy: -0.681
local terms energy: -713.509581
where:
bonds (distance) C4'-P energy: -135.023
bonds (distance) P-C4' energy: -142.519
flat angles C4'-P-C4' energy: -154.503
flat angles P-C4'-P energy: -118.196
tors. eta vs tors. theta energy: -163.270
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: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1705.596985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.596985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.596985 (E_RNA)
where:
Base-Base interactions energy: -1097.999
where: short stacking energy: -495.774
Base-Backbone interact. energy: 1.834
local terms energy: -609.431744
where:
bonds (distance) C4'-P energy: -125.307
bonds (distance) P-C4' energy: -136.975
flat angles C4'-P-C4' energy: -146.155
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -115.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1360.053741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.053741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.053741 (E_RNA)
where:
Base-Base interactions energy: -820.226
where: short stacking energy: -382.874
Base-Backbone interact. energy: -2.021
local terms energy: -538.285504
where:
bonds (distance) C4'-P energy: -134.447
bonds (distance) P-C4' energy: -140.783
flat angles C4'-P-C4' energy: -134.339
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -77.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.479 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -964.518411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.518411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.518411 (E_RNA)
where:
Base-Base interactions energy: -501.117
where: short stacking energy: -289.703
Base-Backbone interact. energy: 6.873
local terms energy: -470.274333
where:
bonds (distance) C4'-P energy: -118.709
bonds (distance) P-C4' energy: -158.163
flat angles C4'-P-C4' energy: -114.761
flat angles P-C4'-P energy: -58.863
tors. eta vs tors. theta energy: -19.779
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: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -740.068973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.068973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.068973 (E_RNA)
where:
Base-Base interactions energy: -301.614
where: short stacking energy: -199.760
Base-Backbone interact. energy: 1.521
local terms energy: -439.975906
where:
bonds (distance) C4'-P energy: -135.381
bonds (distance) P-C4' energy: -138.950
flat angles C4'-P-C4' energy: -122.100
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: 12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2707.255991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.255991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.255991 (E_RNA)
where:
Base-Base interactions energy: -1864.686
where: short stacking energy: -781.860
Base-Backbone interact. energy: -4.624
local terms energy: -837.946423
where:
bonds (distance) C4'-P energy: -159.817
bonds (distance) P-C4' energy: -168.805
flat angles C4'-P-C4' energy: -179.728
flat angles P-C4'-P energy: -108.646
tors. eta vs tors. theta energy: -220.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2611.434521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.434521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.434521 (E_RNA)
where:
Base-Base interactions energy: -1781.065
where: short stacking energy: -762.503
Base-Backbone interact. energy: -3.432
local terms energy: -826.938047
where:
bonds (distance) C4'-P energy: -157.509
bonds (distance) P-C4' energy: -162.374
flat angles C4'-P-C4' energy: -177.622
flat angles P-C4'-P energy: -112.265
tors. eta vs tors. theta energy: -217.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2470.523879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.523879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.523879 (E_RNA)
where:
Base-Base interactions energy: -1671.334
where: short stacking energy: -759.727
Base-Backbone interact. energy: -1.661
local terms energy: -797.528902
where:
bonds (distance) C4'-P energy: -143.539
bonds (distance) P-C4' energy: -149.336
flat angles C4'-P-C4' energy: -167.084
flat angles P-C4'-P energy: -128.191
tors. eta vs tors. theta energy: -209.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2373.644908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.644908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.644908 (E_RNA)
where:
Base-Base interactions energy: -1586.696
where: short stacking energy: -676.878
Base-Backbone interact. energy: 4.156
local terms energy: -791.104197
where:
bonds (distance) C4'-P energy: -152.224
bonds (distance) P-C4' energy: -156.809
flat angles C4'-P-C4' energy: -175.262
flat angles P-C4'-P energy: -114.912
tors. eta vs tors. theta energy: -191.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2277.227728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.227728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.227728 (E_RNA)
where:
Base-Base interactions energy: -1558.967
where: short stacking energy: -668.452
Base-Backbone interact. energy: -2.046
local terms energy: -716.214578
where:
bonds (distance) C4'-P energy: -153.884
bonds (distance) P-C4' energy: -121.276
flat angles C4'-P-C4' energy: -163.365
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -191.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1980.038962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.038962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.038962 (E_RNA)
where:
Base-Base interactions energy: -1278.962
where: short stacking energy: -542.836
Base-Backbone interact. energy: -1.915
local terms energy: -699.161829
where:
bonds (distance) C4'-P energy: -154.387
bonds (distance) P-C4' energy: -144.690
flat angles C4'-P-C4' energy: -158.116
flat angles P-C4'-P energy: -102.799
tors. eta vs tors. theta energy: -139.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1753.205060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.205060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.205060 (E_RNA)
where:
Base-Base interactions energy: -1122.047
where: short stacking energy: -502.041
Base-Backbone interact. energy: -1.417
local terms energy: -629.740418
where:
bonds (distance) C4'-P energy: -154.219
bonds (distance) P-C4' energy: -144.230
flat angles C4'-P-C4' energy: -141.680
flat angles P-C4'-P energy: -84.954
tors. eta vs tors. theta energy: -104.658
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: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1358.258484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.258484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.258484 (E_RNA)
where:
Base-Base interactions energy: -844.234
where: short stacking energy: -396.145
Base-Backbone interact. energy: -2.917
local terms energy: -511.106722
where:
bonds (distance) C4'-P energy: -116.191
bonds (distance) P-C4' energy: -138.764
flat angles C4'-P-C4' energy: -125.178
flat angles P-C4'-P energy: -77.900
tors. eta vs tors. theta energy: -53.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -861.397428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.397428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.397428 (E_RNA)
where:
Base-Base interactions energy: -450.939
where: short stacking energy: -246.444
Base-Backbone interact. energy: 7.079
local terms energy: -417.538005
where:
bonds (distance) C4'-P energy: -127.055
bonds (distance) P-C4' energy: -125.739
flat angles C4'-P-C4' energy: -111.317
flat angles P-C4'-P energy: -51.451
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -747.711234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.711234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.711234 (E_RNA)
where:
Base-Base interactions energy: -319.264
where: short stacking energy: -200.227
Base-Backbone interact. energy: -1.029
local terms energy: -427.418630
where:
bonds (distance) C4'-P energy: -138.476
bonds (distance) P-C4' energy: -134.323
flat angles C4'-P-C4' energy: -108.133
flat angles P-C4'-P energy: -69.877
tors. eta vs tors. theta energy: 23.390
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: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2707.762498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.762498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.762498 (E_RNA)
where:
Base-Base interactions energy: -1859.697
where: short stacking energy: -812.177
Base-Backbone interact. energy: -4.412
local terms energy: -843.654292
where:
bonds (distance) C4'-P energy: -155.002
bonds (distance) P-C4' energy: -167.463
flat angles C4'-P-C4' energy: -172.925
flat angles P-C4'-P energy: -124.310
tors. eta vs tors. theta energy: -223.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2638.398900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.398900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.398900 (E_RNA)
where:
Base-Base interactions energy: -1793.688
where: short stacking energy: -756.080
Base-Backbone interact. energy: -0.635
local terms energy: -844.075341
where:
bonds (distance) C4'-P energy: -152.835
bonds (distance) P-C4' energy: -171.131
flat angles C4'-P-C4' energy: -175.968
flat angles P-C4'-P energy: -109.925
tors. eta vs tors. theta energy: -234.216
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: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2456.216367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.216367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.216367 (E_RNA)
where:
Base-Base interactions energy: -1640.091
where: short stacking energy: -734.144
Base-Backbone interact. energy: -4.034
local terms energy: -812.090949
where:
bonds (distance) C4'-P energy: -143.393
bonds (distance) P-C4' energy: -161.488
flat angles C4'-P-C4' energy: -171.547
flat angles P-C4'-P energy: -114.673
tors. eta vs tors. theta energy: -220.990
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: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2360.760680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.760680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.760680 (E_RNA)
where:
Base-Base interactions energy: -1595.604
where: short stacking energy: -686.575
Base-Backbone interact. energy: -1.498
local terms energy: -763.658874
where:
bonds (distance) C4'-P energy: -157.053
bonds (distance) P-C4' energy: -151.966
flat angles C4'-P-C4' energy: -164.054
flat angles P-C4'-P energy: -100.677
tors. eta vs tors. theta energy: -189.909
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2279.236587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.236587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.236587 (E_RNA)
where:
Base-Base interactions energy: -1553.315
where: short stacking energy: -653.456
Base-Backbone interact. energy: -5.198
local terms energy: -720.723604
where:
bonds (distance) C4'-P energy: -139.398
bonds (distance) P-C4' energy: -138.054
flat angles C4'-P-C4' energy: -159.586
flat angles P-C4'-P energy: -87.964
tors. eta vs tors. theta energy: -195.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1972.277315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.277315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.277315 (E_RNA)
where:
Base-Base interactions energy: -1294.773
where: short stacking energy: -582.724
Base-Backbone interact. energy: 0.742
local terms energy: -678.246761
where:
bonds (distance) C4'-P energy: -137.544
bonds (distance) P-C4' energy: -136.480
flat angles C4'-P-C4' energy: -161.223
flat angles P-C4'-P energy: -86.868
tors. eta vs tors. theta energy: -156.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1648.393559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.393559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.393559 (E_RNA)
where:
Base-Base interactions energy: -1021.484
where: short stacking energy: -463.302
Base-Backbone interact. energy: -5.480
local terms energy: -621.429746
where:
bonds (distance) C4'-P energy: -127.064
bonds (distance) P-C4' energy: -151.714
flat angles C4'-P-C4' energy: -149.936
flat angles P-C4'-P energy: -91.793
tors. eta vs tors. theta energy: -100.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1487.071724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.071724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.071724 (E_RNA)
where:
Base-Base interactions energy: -919.062
where: short stacking energy: -417.470
Base-Backbone interact. energy: -4.646
local terms energy: -563.363317
where:
bonds (distance) C4'-P energy: -122.080
bonds (distance) P-C4' energy: -120.933
flat angles C4'-P-C4' energy: -164.994
flat angles P-C4'-P energy: -70.966
tors. eta vs tors. theta energy: -84.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -926.821890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.821890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.821890 (E_RNA)
where:
Base-Base interactions energy: -488.397
where: short stacking energy: -246.520
Base-Backbone interact. energy: 8.861
local terms energy: -447.286603
where:
bonds (distance) C4'-P energy: -146.890
bonds (distance) P-C4' energy: -151.081
flat angles C4'-P-C4' energy: -112.288
flat angles P-C4'-P energy: -43.430
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -713.102448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.102448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.102448 (E_RNA)
where:
Base-Base interactions energy: -316.731
where: short stacking energy: -200.414
Base-Backbone interact. energy: 1.851
local terms energy: -398.222361
where:
bonds (distance) C4'-P energy: -136.556
bonds (distance) P-C4' energy: -133.922
flat angles C4'-P-C4' energy: -106.854
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: 39.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2715.664351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.664351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.664351 (E_RNA)
where:
Base-Base interactions energy: -1858.778
where: short stacking energy: -786.427
Base-Backbone interact. energy: -4.605
local terms energy: -852.282071
where:
bonds (distance) C4'-P energy: -170.763
bonds (distance) P-C4' energy: -161.837
flat angles C4'-P-C4' energy: -180.335
flat angles P-C4'-P energy: -118.931
tors. eta vs tors. theta energy: -220.416
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2628.829383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.829383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.829383 (E_RNA)
where:
Base-Base interactions energy: -1816.973
where: short stacking energy: -768.288
Base-Backbone interact. energy: -0.692
local terms energy: -811.164337
where:
bonds (distance) C4'-P energy: -155.322
bonds (distance) P-C4' energy: -149.372
flat angles C4'-P-C4' energy: -185.039
flat angles P-C4'-P energy: -115.336
tors. eta vs tors. theta energy: -206.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2476.207885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.207885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.207885 (E_RNA)
where:
Base-Base interactions energy: -1638.202
where: short stacking energy: -744.841
Base-Backbone interact. energy: -3.124
local terms energy: -834.882021
where:
bonds (distance) C4'-P energy: -161.174
bonds (distance) P-C4' energy: -148.727
flat angles C4'-P-C4' energy: -175.039
flat angles P-C4'-P energy: -114.544
tors. eta vs tors. theta energy: -235.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2350.394292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.394292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.394292 (E_RNA)
where:
Base-Base interactions energy: -1590.030
where: short stacking energy: -653.608
Base-Backbone interact. energy: 1.837
local terms energy: -762.200859
where:
bonds (distance) C4'-P energy: -148.041
bonds (distance) P-C4' energy: -159.627
flat angles C4'-P-C4' energy: -179.505
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -193.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2275.035741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.035741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.035741 (E_RNA)
where:
Base-Base interactions energy: -1548.820
where: short stacking energy: -681.438
Base-Backbone interact. energy: -2.407
local terms energy: -723.808895
where:
bonds (distance) C4'-P energy: -144.558
bonds (distance) P-C4' energy: -136.540
flat angles C4'-P-C4' energy: -155.974
flat angles P-C4'-P energy: -105.426
tors. eta vs tors. theta energy: -181.311
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: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1976.134173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.134173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.134173 (E_RNA)
where:
Base-Base interactions energy: -1279.613
where: short stacking energy: -583.711
Base-Backbone interact. energy: 0.774
local terms energy: -697.294583
where:
bonds (distance) C4'-P energy: -131.447
bonds (distance) P-C4' energy: -153.127
flat angles C4'-P-C4' energy: -150.023
flat angles P-C4'-P energy: -98.377
tors. eta vs tors. theta energy: -164.321
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: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1721.825197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.825197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.825197 (E_RNA)
where:
Base-Base interactions energy: -1112.660
where: short stacking energy: -473.431
Base-Backbone interact. energy: 7.311
local terms energy: -616.476264
where:
bonds (distance) C4'-P energy: -130.574
bonds (distance) P-C4' energy: -138.563
flat angles C4'-P-C4' energy: -132.552
flat angles P-C4'-P energy: -99.027
tors. eta vs tors. theta energy: -115.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1520.004198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.004198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.004198 (E_RNA)
where:
Base-Base interactions energy: -939.732
where: short stacking energy: -413.541
Base-Backbone interact. energy: 0.733
local terms energy: -581.005866
where:
bonds (distance) C4'-P energy: -137.657
bonds (distance) P-C4' energy: -151.953
flat angles C4'-P-C4' energy: -122.213
flat angles P-C4'-P energy: -94.240
tors. eta vs tors. theta energy: -74.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -982.192113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.192113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.192113 (E_RNA)
where:
Base-Base interactions energy: -467.464
where: short stacking energy: -273.667
Base-Backbone interact. energy: 4.760
local terms energy: -519.487460
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -157.550
flat angles C4'-P-C4' energy: -135.433
flat angles P-C4'-P energy: -75.827
tors. eta vs tors. theta energy: -29.236
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: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -750.742182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.742182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.742182 (E_RNA)
where:
Base-Base interactions energy: -356.391
where: short stacking energy: -223.634
Base-Backbone interact. energy: -0.916
local terms energy: -393.434953
where:
bonds (distance) C4'-P energy: -131.221
bonds (distance) P-C4' energy: -138.015
flat angles C4'-P-C4' energy: -92.588
flat angles P-C4'-P energy: -35.997
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: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2716.039558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.039558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.039558 (E_RNA)
where:
Base-Base interactions energy: -1849.474
where: short stacking energy: -776.358
Base-Backbone interact. energy: -1.352
local terms energy: -865.213883
where:
bonds (distance) C4'-P energy: -158.363
bonds (distance) P-C4' energy: -178.462
flat angles C4'-P-C4' energy: -170.544
flat angles P-C4'-P energy: -128.198
tors. eta vs tors. theta energy: -229.648
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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2625.263112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.263112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.263112 (E_RNA)
where:
Base-Base interactions energy: -1789.282
where: short stacking energy: -746.741
Base-Backbone interact. energy: -4.231
local terms energy: -832.303041
where:
bonds (distance) C4'-P energy: -152.674
bonds (distance) P-C4' energy: -156.215
flat angles C4'-P-C4' energy: -187.591
flat angles P-C4'-P energy: -113.683
tors. eta vs tors. theta energy: -222.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.553 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2503.396260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.396260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.396260 (E_RNA)
where:
Base-Base interactions energy: -1683.360
where: short stacking energy: -713.684
Base-Backbone interact. energy: 0.291
local terms energy: -820.327935
where:
bonds (distance) C4'-P energy: -139.072
bonds (distance) P-C4' energy: -156.198
flat angles C4'-P-C4' energy: -181.493
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -225.903
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2323.348531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.348531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.348531 (E_RNA)
where:
Base-Base interactions energy: -1566.630
where: short stacking energy: -664.564
Base-Backbone interact. energy: -2.270
local terms energy: -754.449107
where:
bonds (distance) C4'-P energy: -164.633
bonds (distance) P-C4' energy: -140.192
flat angles C4'-P-C4' energy: -162.722
flat angles P-C4'-P energy: -100.957
tors. eta vs tors. theta energy: -185.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2264.721924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.721924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.721924 (E_RNA)
where:
Base-Base interactions energy: -1544.685
where: short stacking energy: -640.020
Base-Backbone interact. energy: 1.633
local terms energy: -721.669867
where:
bonds (distance) C4'-P energy: -133.665
bonds (distance) P-C4' energy: -132.031
flat angles C4'-P-C4' energy: -174.016
flat angles P-C4'-P energy: -95.761
tors. eta vs tors. theta energy: -186.197
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: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2005.298366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.298366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.298366 (E_RNA)
where:
Base-Base interactions energy: -1316.398
where: short stacking energy: -593.598
Base-Backbone interact. energy: -2.466
local terms energy: -686.433521
where:
bonds (distance) C4'-P energy: -145.386
bonds (distance) P-C4' energy: -141.162
flat angles C4'-P-C4' energy: -157.434
flat angles P-C4'-P energy: -87.446
tors. eta vs tors. theta energy: -155.005
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: 218
Temperature: 1.200000
Total energy: -1752.286341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.286341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.286341 (E_RNA)
where:
Base-Base interactions energy: -1133.613
where: short stacking energy: -497.923
Base-Backbone interact. energy: -3.363
local terms energy: -615.310786
where:
bonds (distance) C4'-P energy: -120.635
bonds (distance) P-C4' energy: -137.878
flat angles C4'-P-C4' energy: -159.827
flat angles P-C4'-P energy: -92.494
tors. eta vs tors. theta energy: -104.477
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1468.286548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.286548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.286548 (E_RNA)
where:
Base-Base interactions energy: -934.535
where: short stacking energy: -433.547
Base-Backbone interact. energy: 0.660
local terms energy: -534.411545
where:
bonds (distance) C4'-P energy: -134.701
bonds (distance) P-C4' energy: -119.361
flat angles C4'-P-C4' energy: -127.171
flat angles P-C4'-P energy: -88.221
tors. eta vs tors. theta energy: -64.957
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: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -883.643628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.643628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.643628 (E_RNA)
where:
Base-Base interactions energy: -408.326
where: short stacking energy: -244.815
Base-Backbone interact. energy: -3.443
local terms energy: -471.874812
where:
bonds (distance) C4'-P energy: -133.924
bonds (distance) P-C4' energy: -139.039
flat angles C4'-P-C4' energy: -116.202
flat angles P-C4'-P energy: -73.999
tors. eta vs tors. theta energy: -8.710
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: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -774.236865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.236865 (E_RNA)
where:
Base-Base interactions energy: -371.526
where: short stacking energy: -224.229
Base-Backbone interact. energy: 1.792
local terms energy: -404.503684
where:
bonds (distance) C4'-P energy: -132.547
bonds (distance) P-C4' energy: -130.797
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: 23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2695.827400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.827400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.827400 (E_RNA)
where:
Base-Base interactions energy: -1825.166
where: short stacking energy: -775.033
Base-Backbone interact. energy: -1.175
local terms energy: -869.486454
where:
bonds (distance) C4'-P energy: -168.573
bonds (distance) P-C4' energy: -167.733
flat angles C4'-P-C4' energy: -186.054
flat angles P-C4'-P energy: -125.617
tors. eta vs tors. theta energy: -221.510
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: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2621.373541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.373541 (E_RNA)
where:
Base-Base interactions energy: -1780.091
where: short stacking energy: -740.696
Base-Backbone interact. energy: -1.054
local terms energy: -840.228557
where:
bonds (distance) C4'-P energy: -173.871
bonds (distance) P-C4' energy: -170.297
flat angles C4'-P-C4' energy: -161.567
flat angles P-C4'-P energy: -121.368
tors. eta vs tors. theta energy: -213.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2497.755058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.755058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.755058 (E_RNA)
where:
Base-Base interactions energy: -1649.312
where: short stacking energy: -727.938
Base-Backbone interact. energy: 1.167
local terms energy: -849.609387
where:
bonds (distance) C4'-P energy: -160.384
bonds (distance) P-C4' energy: -172.479
flat angles C4'-P-C4' energy: -176.121
flat angles P-C4'-P energy: -117.660
tors. eta vs tors. theta energy: -222.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2371.956111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.956111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.956111 (E_RNA)
where:
Base-Base interactions energy: -1597.003
where: short stacking energy: -662.060
Base-Backbone interact. energy: -2.315
local terms energy: -772.638018
where:
bonds (distance) C4'-P energy: -144.870
bonds (distance) P-C4' energy: -157.978
flat angles C4'-P-C4' energy: -168.583
flat angles P-C4'-P energy: -112.266
tors. eta vs tors. theta energy: -188.941
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2278.454713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.454713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.454713 (E_RNA)
where:
Base-Base interactions energy: -1543.110
where: short stacking energy: -657.396
Base-Backbone interact. energy: -0.330
local terms energy: -735.015220
where:
bonds (distance) C4'-P energy: -136.519
bonds (distance) P-C4' energy: -133.380
flat angles C4'-P-C4' energy: -167.737
flat angles P-C4'-P energy: -113.854
tors. eta vs tors. theta energy: -183.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1983.176325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.176325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.176325 (E_RNA)
where:
Base-Base interactions energy: -1268.574
where: short stacking energy: -555.022
Base-Backbone interact. energy: 1.652
local terms energy: -716.254754
where:
bonds (distance) C4'-P energy: -148.256
bonds (distance) P-C4' energy: -164.192
flat angles C4'-P-C4' energy: -155.943
flat angles P-C4'-P energy: -103.366
tors. eta vs tors. theta energy: -144.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1695.447390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.447390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.447390 (E_RNA)
where:
Base-Base interactions energy: -1071.500
where: short stacking energy: -472.065
Base-Backbone interact. energy: 4.634
local terms energy: -628.581339
where:
bonds (distance) C4'-P energy: -139.604
bonds (distance) P-C4' energy: -133.124
flat angles C4'-P-C4' energy: -142.673
flat angles P-C4'-P energy: -105.802
tors. eta vs tors. theta energy: -107.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1448.034166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.034166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.034166 (E_RNA)
where:
Base-Base interactions energy: -876.436
where: short stacking energy: -379.130
Base-Backbone interact. energy: -1.775
local terms energy: -569.822709
where:
bonds (distance) C4'-P energy: -142.743
bonds (distance) P-C4' energy: -155.974
flat angles C4'-P-C4' energy: -130.949
flat angles P-C4'-P energy: -79.433
tors. eta vs tors. theta energy: -60.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -890.535353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.535353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.535353 (E_RNA)
where:
Base-Base interactions energy: -467.573
where: short stacking energy: -257.347
Base-Backbone interact. energy: 2.508
local terms energy: -425.469732
where:
bonds (distance) C4'-P energy: -119.807
bonds (distance) P-C4' energy: -126.556
flat angles C4'-P-C4' energy: -120.159
flat angles P-C4'-P energy: -57.808
tors. eta vs tors. theta energy: -1.140
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: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -736.673957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.673957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.673957 (E_RNA)
where:
Base-Base interactions energy: -335.051
where: short stacking energy: -226.784
Base-Backbone interact. energy: -0.225
local terms energy: -401.397310
where:
bonds (distance) C4'-P energy: -122.263
bonds (distance) P-C4' energy: -133.539
flat angles C4'-P-C4' energy: -91.510
flat angles P-C4'-P energy: -75.205
tors. eta vs tors. theta energy: 21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2701.871071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.871071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.871071 (E_RNA)
where:
Base-Base interactions energy: -1819.939
where: short stacking energy: -777.212
Base-Backbone interact. energy: 2.877
local terms energy: -884.809648
where:
bonds (distance) C4'-P energy: -179.882
bonds (distance) P-C4' energy: -182.436
flat angles C4'-P-C4' energy: -184.558
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -220.014
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: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2585.396504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.396504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.396504 (E_RNA)
where:
Base-Base interactions energy: -1776.117
where: short stacking energy: -752.530
Base-Backbone interact. energy: -5.448
local terms energy: -803.831637
where:
bonds (distance) C4'-P energy: -157.269
bonds (distance) P-C4' energy: -155.941
flat angles C4'-P-C4' energy: -173.375
flat angles P-C4'-P energy: -107.292
tors. eta vs tors. theta energy: -209.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2473.622437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.622437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.622437 (E_RNA)
where:
Base-Base interactions energy: -1678.756
where: short stacking energy: -727.444
Base-Backbone interact. energy: -2.796
local terms energy: -792.070510
where:
bonds (distance) C4'-P energy: -144.095
bonds (distance) P-C4' energy: -155.533
flat angles C4'-P-C4' energy: -173.443
flat angles P-C4'-P energy: -101.878
tors. eta vs tors. theta energy: -217.122
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: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2370.441953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.441953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.441953 (E_RNA)
where:
Base-Base interactions energy: -1594.910
where: short stacking energy: -689.112
Base-Backbone interact. energy: -1.460
local terms energy: -774.072056
where:
bonds (distance) C4'-P energy: -160.730
bonds (distance) P-C4' energy: -162.063
flat angles C4'-P-C4' energy: -173.281
flat angles P-C4'-P energy: -87.542
tors. eta vs tors. theta energy: -190.455
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2289.649387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.649387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.649387 (E_RNA)
where:
Base-Base interactions energy: -1545.651
where: short stacking energy: -637.162
Base-Backbone interact. energy: -5.793
local terms energy: -738.205342
where:
bonds (distance) C4'-P energy: -145.592
bonds (distance) P-C4' energy: -154.087
flat angles C4'-P-C4' energy: -144.371
flat angles P-C4'-P energy: -103.143
tors. eta vs tors. theta energy: -191.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1960.769366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.769366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.769366 (E_RNA)
where:
Base-Base interactions energy: -1265.399
where: short stacking energy: -562.968
Base-Backbone interact. energy: 0.091
local terms energy: -695.461226
where:
bonds (distance) C4'-P energy: -140.876
bonds (distance) P-C4' energy: -140.940
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -88.412
tors. eta vs tors. theta energy: -159.004
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: 220
Temperature: 1.200000
Total energy: -1726.927990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.927990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.927990 (E_RNA)
where:
Base-Base interactions energy: -1095.663
where: short stacking energy: -475.477
Base-Backbone interact. energy: -2.021
local terms energy: -629.244203
where:
bonds (distance) C4'-P energy: -144.420
bonds (distance) P-C4' energy: -158.161
flat angles C4'-P-C4' energy: -130.183
flat angles P-C4'-P energy: -94.837
tors. eta vs tors. theta energy: -101.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1546.300137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.300137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.300137 (E_RNA)
where:
Base-Base interactions energy: -959.725
where: short stacking energy: -413.115
Base-Backbone interact. energy: 4.539
local terms energy: -591.114223
where:
bonds (distance) C4'-P energy: -154.652
bonds (distance) P-C4' energy: -131.213
flat angles C4'-P-C4' energy: -134.336
flat angles P-C4'-P energy: -82.633
tors. eta vs tors. theta energy: -88.279
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: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -832.398328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.398328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.398328 (E_RNA)
where:
Base-Base interactions energy: -393.020
where: short stacking energy: -222.780
Base-Backbone interact. energy: 9.630
local terms energy: -449.008050
where:
bonds (distance) C4'-P energy: -145.577
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -119.973
flat angles P-C4'-P energy: -69.685
tors. eta vs tors. theta energy: 12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -721.416981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.416981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.416981 (E_RNA)
where:
Base-Base interactions energy: -314.254
where: short stacking energy: -200.196
Base-Backbone interact. energy: 3.716
local terms energy: -410.878393
where:
bonds (distance) C4'-P energy: -116.255
bonds (distance) P-C4' energy: -131.446
flat angles C4'-P-C4' energy: -106.548
flat angles P-C4'-P energy: -69.724
tors. eta vs tors. theta energy: 13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2725.702613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.702613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.702613 (E_RNA)
where:
Base-Base interactions energy: -1876.305
where: short stacking energy: -804.869
Base-Backbone interact. energy: 0.274
local terms energy: -849.672114
where:
bonds (distance) C4'-P energy: -160.457
bonds (distance) P-C4' energy: -146.908
flat angles C4'-P-C4' energy: -187.768
flat angles P-C4'-P energy: -116.603
tors. eta vs tors. theta energy: -237.936
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: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2561.104020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.104020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.104020 (E_RNA)
where:
Base-Base interactions energy: -1754.859
where: short stacking energy: -725.051
Base-Backbone interact. energy: -5.126
local terms energy: -801.118447
where:
bonds (distance) C4'-P energy: -148.166
bonds (distance) P-C4' energy: -162.077
flat angles C4'-P-C4' energy: -161.774
flat angles P-C4'-P energy: -128.984
tors. eta vs tors. theta energy: -200.117
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2517.012266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.012266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.012266 (E_RNA)
where:
Base-Base interactions energy: -1678.965
where: short stacking energy: -740.275
Base-Backbone interact. energy: -2.886
local terms energy: -835.161347
where:
bonds (distance) C4'-P energy: -149.643
bonds (distance) P-C4' energy: -166.545
flat angles C4'-P-C4' energy: -184.393
flat angles P-C4'-P energy: -108.316
tors. eta vs tors. theta energy: -226.265
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2356.779662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.779662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.779662 (E_RNA)
where:
Base-Base interactions energy: -1600.322
where: short stacking energy: -684.654
Base-Backbone interact. energy: -0.393
local terms energy: -756.065056
where:
bonds (distance) C4'-P energy: -139.706
bonds (distance) P-C4' energy: -150.243
flat angles C4'-P-C4' energy: -161.365
flat angles P-C4'-P energy: -116.774
tors. eta vs tors. theta energy: -187.978
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2219.916442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.916442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.916442 (E_RNA)
where:
Base-Base interactions energy: -1507.935
where: short stacking energy: -626.373
Base-Backbone interact. energy: -1.971
local terms energy: -710.010253
where:
bonds (distance) C4'-P energy: -147.409
bonds (distance) P-C4' energy: -124.831
flat angles C4'-P-C4' energy: -159.104
flat angles P-C4'-P energy: -94.917
tors. eta vs tors. theta energy: -183.749
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: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1963.894738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.894738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.894738 (E_RNA)
where:
Base-Base interactions energy: -1267.388
where: short stacking energy: -580.024
Base-Backbone interact. energy: -0.876
local terms energy: -695.630695
where:
bonds (distance) C4'-P energy: -152.259
bonds (distance) P-C4' energy: -116.156
flat angles C4'-P-C4' energy: -169.974
flat angles P-C4'-P energy: -106.920
tors. eta vs tors. theta energy: -150.321
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: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1710.054012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.054012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.054012 (E_RNA)
where:
Base-Base interactions energy: -1093.273
where: short stacking energy: -460.942
Base-Backbone interact. energy: 2.735
local terms energy: -619.515923
where:
bonds (distance) C4'-P energy: -138.534
bonds (distance) P-C4' energy: -126.873
flat angles C4'-P-C4' energy: -154.761
flat angles P-C4'-P energy: -91.714
tors. eta vs tors. theta energy: -107.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1511.931807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.931807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.931807 (E_RNA)
where:
Base-Base interactions energy: -954.290
where: short stacking energy: -434.665
Base-Backbone interact. energy: -5.723
local terms energy: -551.918941
where:
bonds (distance) C4'-P energy: -134.599
bonds (distance) P-C4' energy: -143.286
flat angles C4'-P-C4' energy: -131.052
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -71.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -980.961240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.961240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.961240 (E_RNA)
where:
Base-Base interactions energy: -497.996
where: short stacking energy: -311.114
Base-Backbone interact. energy: -0.749
local terms energy: -482.216084
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -144.214
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -66.215
tors. eta vs tors. theta energy: -32.337
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: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -729.195281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.195281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.195281 (E_RNA)
where:
Base-Base interactions energy: -333.656
where: short stacking energy: -187.978
Base-Backbone interact. energy: -1.315
local terms energy: -394.223776
where:
bonds (distance) C4'-P energy: -123.215
bonds (distance) P-C4' energy: -134.236
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -59.994
tors. eta vs tors. theta energy: 24.617
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: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2704.211191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.211191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.211191 (E_RNA)
where:
Base-Base interactions energy: -1894.457
where: short stacking energy: -784.703
Base-Backbone interact. energy: -0.831
local terms energy: -808.923439
where:
bonds (distance) C4'-P energy: -155.958
bonds (distance) P-C4' energy: -138.442
flat angles C4'-P-C4' energy: -186.611
flat angles P-C4'-P energy: -113.456
tors. eta vs tors. theta energy: -214.457
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: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2584.619775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.619775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.619775 (E_RNA)
where:
Base-Base interactions energy: -1765.913
where: short stacking energy: -744.849
Base-Backbone interact. energy: -0.706
local terms energy: -818.000417
where:
bonds (distance) C4'-P energy: -164.749
bonds (distance) P-C4' energy: -152.524
flat angles C4'-P-C4' energy: -160.702
flat angles P-C4'-P energy: -118.833
tors. eta vs tors. theta energy: -221.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2551.187893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.187893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.187893 (E_RNA)
where:
Base-Base interactions energy: -1695.183
where: short stacking energy: -770.826
Base-Backbone interact. energy: -3.374
local terms energy: -852.630933
where:
bonds (distance) C4'-P energy: -171.989
bonds (distance) P-C4' energy: -155.336
flat angles C4'-P-C4' energy: -177.816
flat angles P-C4'-P energy: -118.267
tors. eta vs tors. theta energy: -229.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2327.323030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.323030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.323030 (E_RNA)
where:
Base-Base interactions energy: -1614.068
where: short stacking energy: -686.296
Base-Backbone interact. energy: -2.888
local terms energy: -710.367546
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -162.583
flat angles P-C4'-P energy: -105.663
tors. eta vs tors. theta energy: -187.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2264.154367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.154367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.154367 (E_RNA)
where:
Base-Base interactions energy: -1507.580
where: short stacking energy: -658.544
Base-Backbone interact. energy: -2.274
local terms energy: -754.300725
where:
bonds (distance) C4'-P energy: -136.335
bonds (distance) P-C4' energy: -152.773
flat angles C4'-P-C4' energy: -171.401
flat angles P-C4'-P energy: -111.446
tors. eta vs tors. theta energy: -182.346
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: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1996.800250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.800250 (E_RNA)
where:
Base-Base interactions energy: -1328.125
where: short stacking energy: -594.116
Base-Backbone interact. energy: 2.209
local terms energy: -670.884615
where:
bonds (distance) C4'-P energy: -140.965
bonds (distance) P-C4' energy: -137.911
flat angles C4'-P-C4' energy: -140.896
flat angles P-C4'-P energy: -87.861
tors. eta vs tors. theta energy: -163.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1724.019746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.019746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.019746 (E_RNA)
where:
Base-Base interactions energy: -1107.548
where: short stacking energy: -490.966
Base-Backbone interact. energy: -1.687
local terms energy: -614.784505
where:
bonds (distance) C4'-P energy: -135.973
bonds (distance) P-C4' energy: -137.125
flat angles C4'-P-C4' energy: -146.103
flat angles P-C4'-P energy: -85.124
tors. eta vs tors. theta energy: -110.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1624.647302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.647302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.647302 (E_RNA)
where:
Base-Base interactions energy: -1013.315
where: short stacking energy: -475.825
Base-Backbone interact. energy: 4.197
local terms energy: -615.529465
where:
bonds (distance) C4'-P energy: -139.740
bonds (distance) P-C4' energy: -147.730
flat angles C4'-P-C4' energy: -144.786
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -102.723
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: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -950.212744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.212744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.212744 (E_RNA)
where:
Base-Base interactions energy: -501.017
where: short stacking energy: -266.162
Base-Backbone interact. energy: 2.769
local terms energy: -451.964656
where:
bonds (distance) C4'-P energy: -143.891
bonds (distance) P-C4' energy: -144.985
flat angles C4'-P-C4' energy: -113.483
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -722.037810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.037810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.037810 (E_RNA)
where:
Base-Base interactions energy: -282.449
where: short stacking energy: -158.275
Base-Backbone interact. energy: -1.304
local terms energy: -438.285213
where:
bonds (distance) C4'-P energy: -138.724
bonds (distance) P-C4' energy: -154.528
flat angles C4'-P-C4' energy: -114.245
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: 20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2732.613519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.613519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.613519 (E_RNA)
where:
Base-Base interactions energy: -1878.872
where: short stacking energy: -790.780
Base-Backbone interact. energy: -0.020
local terms energy: -853.720977
where:
bonds (distance) C4'-P energy: -160.239
bonds (distance) P-C4' energy: -165.431
flat angles C4'-P-C4' energy: -176.434
flat angles P-C4'-P energy: -118.578
tors. eta vs tors. theta energy: -233.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2583.088394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.088394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.088394 (E_RNA)
where:
Base-Base interactions energy: -1758.670
where: short stacking energy: -739.042
Base-Backbone interact. energy: 0.999
local terms energy: -825.417261
where:
bonds (distance) C4'-P energy: -158.878
bonds (distance) P-C4' energy: -156.444
flat angles C4'-P-C4' energy: -166.929
flat angles P-C4'-P energy: -135.416
tors. eta vs tors. theta energy: -207.750
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: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2462.735388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.735388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.735388 (E_RNA)
where:
Base-Base interactions energy: -1647.526
where: short stacking energy: -765.893
Base-Backbone interact. energy: -3.587
local terms energy: -811.622232
where:
bonds (distance) C4'-P energy: -147.223
bonds (distance) P-C4' energy: -159.550
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -107.823
tors. eta vs tors. theta energy: -227.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2385.207199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.207199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.207199 (E_RNA)
where:
Base-Base interactions energy: -1639.752
where: short stacking energy: -648.466
Base-Backbone interact. energy: -2.306
local terms energy: -743.148996
where:
bonds (distance) C4'-P energy: -139.677
bonds (distance) P-C4' energy: -144.409
flat angles C4'-P-C4' energy: -175.441
flat angles P-C4'-P energy: -111.564
tors. eta vs tors. theta energy: -172.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2260.876648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.876648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.876648 (E_RNA)
where:
Base-Base interactions energy: -1534.463
where: short stacking energy: -632.302
Base-Backbone interact. energy: 0.285
local terms energy: -726.698403
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -147.215
flat angles C4'-P-C4' energy: -157.904
flat angles P-C4'-P energy: -106.652
tors. eta vs tors. theta energy: -179.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2034.637810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.637810 (E_RNA)
where:
Base-Base interactions energy: -1349.538
where: short stacking energy: -599.550
Base-Backbone interact. energy: -4.954
local terms energy: -680.145399
where:
bonds (distance) C4'-P energy: -141.018
bonds (distance) P-C4' energy: -137.070
flat angles C4'-P-C4' energy: -148.757
flat angles P-C4'-P energy: -86.388
tors. eta vs tors. theta energy: -166.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1718.671046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.671046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.671046 (E_RNA)
where:
Base-Base interactions energy: -1111.139
where: short stacking energy: -462.103
Base-Backbone interact. energy: 3.694
local terms energy: -611.225992
where:
bonds (distance) C4'-P energy: -134.883
bonds (distance) P-C4' energy: -150.387
flat angles C4'-P-C4' energy: -143.587
flat angles P-C4'-P energy: -83.189
tors. eta vs tors. theta energy: -99.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1537.288229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.288229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.288229 (E_RNA)
where:
Base-Base interactions energy: -971.939
where: short stacking energy: -462.440
Base-Backbone interact. energy: -1.342
local terms energy: -564.007845
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -137.487
flat angles C4'-P-C4' energy: -129.845
flat angles P-C4'-P energy: -69.556
tors. eta vs tors. theta energy: -91.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -934.355479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.355479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.355479 (E_RNA)
where:
Base-Base interactions energy: -473.930
where: short stacking energy: -248.657
Base-Backbone interact. energy: -1.356
local terms energy: -459.069636
where:
bonds (distance) C4'-P energy: -121.457
bonds (distance) P-C4' energy: -127.728
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -73.091
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -758.562367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.562367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.562367 (E_RNA)
where:
Base-Base interactions energy: -354.931
where: short stacking energy: -220.943
Base-Backbone interact. energy: -0.009
local terms energy: -403.621862
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -143.902
flat angles C4'-P-C4' energy: -95.754
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: 30.735
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: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2742.375232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.375232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.375232 (E_RNA)
where:
Base-Base interactions energy: -1887.962
where: short stacking energy: -802.287
Base-Backbone interact. energy: -1.836
local terms energy: -852.576897
where:
bonds (distance) C4'-P energy: -155.760
bonds (distance) P-C4' energy: -152.351
flat angles C4'-P-C4' energy: -184.523
flat angles P-C4'-P energy: -120.240
tors. eta vs tors. theta energy: -239.702
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: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2573.566176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.566176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.566176 (E_RNA)
where:
Base-Base interactions energy: -1766.646
where: short stacking energy: -742.474
Base-Backbone interact. energy: -1.055
local terms energy: -805.864930
where:
bonds (distance) C4'-P energy: -163.910
bonds (distance) P-C4' energy: -146.706
flat angles C4'-P-C4' energy: -177.825
flat angles P-C4'-P energy: -112.488
tors. eta vs tors. theta energy: -204.936
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2494.314770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.314770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.314770 (E_RNA)
where:
Base-Base interactions energy: -1701.256
where: short stacking energy: -759.269
Base-Backbone interact. energy: -3.357
local terms energy: -789.701715
where:
bonds (distance) C4'-P energy: -140.055
bonds (distance) P-C4' energy: -156.965
flat angles C4'-P-C4' energy: -174.472
flat angles P-C4'-P energy: -107.919
tors. eta vs tors. theta energy: -210.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2399.406870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.406870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.406870 (E_RNA)
where:
Base-Base interactions energy: -1642.660
where: short stacking energy: -698.519
Base-Backbone interact. energy: 2.295
local terms energy: -759.042100
where:
bonds (distance) C4'-P energy: -150.599
bonds (distance) P-C4' energy: -139.015
flat angles C4'-P-C4' energy: -166.292
flat angles P-C4'-P energy: -100.392
tors. eta vs tors. theta energy: -202.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2220.720773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.720773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.720773 (E_RNA)
where:
Base-Base interactions energy: -1470.850
where: short stacking energy: -631.999
Base-Backbone interact. energy: 0.460
local terms energy: -750.330014
where:
bonds (distance) C4'-P energy: -152.164
bonds (distance) P-C4' energy: -146.459
flat angles C4'-P-C4' energy: -164.563
flat angles P-C4'-P energy: -104.001
tors. eta vs tors. theta energy: -183.143
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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1931.115617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.115617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.115617 (E_RNA)
where:
Base-Base interactions energy: -1248.553
where: short stacking energy: -557.861
Base-Backbone interact. energy: 3.843
local terms energy: -686.405109
where:
bonds (distance) C4'-P energy: -138.426
bonds (distance) P-C4' energy: -145.713
flat angles C4'-P-C4' energy: -158.853
flat angles P-C4'-P energy: -92.459
tors. eta vs tors. theta energy: -150.955
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: 224
Temperature: 1.200000
Total energy: -1702.739373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.739373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.739373 (E_RNA)
where:
Base-Base interactions energy: -1111.593
where: short stacking energy: -509.565
Base-Backbone interact. energy: 8.465
local terms energy: -599.611420
where:
bonds (distance) C4'-P energy: -124.926
bonds (distance) P-C4' energy: -125.428
flat angles C4'-P-C4' energy: -152.559
flat angles P-C4'-P energy: -73.160
tors. eta vs tors. theta energy: -123.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1516.997377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.997377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.997377 (E_RNA)
where:
Base-Base interactions energy: -942.917
where: short stacking energy: -435.438
Base-Backbone interact. energy: -2.413
local terms energy: -571.667043
where:
bonds (distance) C4'-P energy: -136.183
bonds (distance) P-C4' energy: -121.080
flat angles C4'-P-C4' energy: -153.521
flat angles P-C4'-P energy: -76.604
tors. eta vs tors. theta energy: -84.279
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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -856.446618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.446618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.446618 (E_RNA)
where:
Base-Base interactions energy: -428.092
where: short stacking energy: -246.389
Base-Backbone interact. energy: 1.815
local terms energy: -430.169665
where:
bonds (distance) C4'-P energy: -122.023
bonds (distance) P-C4' energy: -126.478
flat angles C4'-P-C4' energy: -119.945
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -790.584663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.584663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.584663 (E_RNA)
where:
Base-Base interactions energy: -352.067
where: short stacking energy: -210.737
Base-Backbone interact. energy: 0.664
local terms energy: -439.180928
where:
bonds (distance) C4'-P energy: -123.751
bonds (distance) P-C4' energy: -150.386
flat angles C4'-P-C4' energy: -99.705
flat angles P-C4'-P energy: -72.515
tors. eta vs tors. theta energy: 7.177
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2732.523945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.523945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.523945 (E_RNA)
where:
Base-Base interactions energy: -1882.670
where: short stacking energy: -795.245
Base-Backbone interact. energy: -4.883
local terms energy: -844.970915
where:
bonds (distance) C4'-P energy: -156.894
bonds (distance) P-C4' energy: -160.878
flat angles C4'-P-C4' energy: -187.284
flat angles P-C4'-P energy: -113.084
tors. eta vs tors. theta energy: -226.831
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: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2541.873178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.873178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.873178 (E_RNA)
where:
Base-Base interactions energy: -1706.348
where: short stacking energy: -757.712
Base-Backbone interact. energy: -1.050
local terms energy: -834.475055
where:
bonds (distance) C4'-P energy: -169.598
bonds (distance) P-C4' energy: -160.555
flat angles C4'-P-C4' energy: -178.905
flat angles P-C4'-P energy: -113.074
tors. eta vs tors. theta energy: -212.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2506.906417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.906417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.906417 (E_RNA)
where:
Base-Base interactions energy: -1703.582
where: short stacking energy: -717.594
Base-Backbone interact. energy: -2.964
local terms energy: -800.359677
where:
bonds (distance) C4'-P energy: -151.873
bonds (distance) P-C4' energy: -154.468
flat angles C4'-P-C4' energy: -173.920
flat angles P-C4'-P energy: -119.544
tors. eta vs tors. theta energy: -200.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2423.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.954855 (E_RNA)
where:
Base-Base interactions energy: -1644.434
where: short stacking energy: -698.053
Base-Backbone interact. energy: -1.992
local terms energy: -777.528263
where:
bonds (distance) C4'-P energy: -143.863
bonds (distance) P-C4' energy: -160.245
flat angles C4'-P-C4' energy: -171.552
flat angles P-C4'-P energy: -108.567
tors. eta vs tors. theta energy: -193.302
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: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2242.526166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.526166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.526166 (E_RNA)
where:
Base-Base interactions energy: -1531.333
where: short stacking energy: -645.745
Base-Backbone interact. energy: 0.643
local terms energy: -711.836126
where:
bonds (distance) C4'-P energy: -136.743
bonds (distance) P-C4' energy: -125.366
flat angles C4'-P-C4' energy: -154.888
flat angles P-C4'-P energy: -105.257
tors. eta vs tors. theta energy: -189.583
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2033.689582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.689582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.689582 (E_RNA)
where:
Base-Base interactions energy: -1331.929
where: short stacking energy: -584.280
Base-Backbone interact. energy: 3.885
local terms energy: -705.644949
where:
bonds (distance) C4'-P energy: -150.242
bonds (distance) P-C4' energy: -146.286
flat angles C4'-P-C4' energy: -155.809
flat angles P-C4'-P energy: -107.885
tors. eta vs tors. theta energy: -145.423
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1711.379000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.379000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.379000 (E_RNA)
where:
Base-Base interactions energy: -1111.701
where: short stacking energy: -487.413
Base-Backbone interact. energy: 1.322
local terms energy: -600.999429
where:
bonds (distance) C4'-P energy: -122.799
bonds (distance) P-C4' energy: -148.689
flat angles C4'-P-C4' energy: -132.221
flat angles P-C4'-P energy: -84.682
tors. eta vs tors. theta energy: -112.608
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: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1537.072665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.072665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.072665 (E_RNA)
where:
Base-Base interactions energy: -969.552
where: short stacking energy: -426.550
Base-Backbone interact. energy: -4.615
local terms energy: -562.906034
where:
bonds (distance) C4'-P energy: -142.490
bonds (distance) P-C4' energy: -135.490
flat angles C4'-P-C4' energy: -124.141
flat angles P-C4'-P energy: -75.398
tors. eta vs tors. theta energy: -85.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -887.115127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.115127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.115127 (E_RNA)
where:
Base-Base interactions energy: -421.230
where: short stacking energy: -241.867
Base-Backbone interact. energy: -1.363
local terms energy: -464.521999
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -140.012
flat angles C4'-P-C4' energy: -117.482
flat angles P-C4'-P energy: -72.040
tors. eta vs tors. theta energy: 4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -776.260069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.260069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.260069 (E_RNA)
where:
Base-Base interactions energy: -342.449
where: short stacking energy: -215.310
Base-Backbone interact. energy: 4.319
local terms energy: -438.130049
where:
bonds (distance) C4'-P energy: -122.919
bonds (distance) P-C4' energy: -131.441
flat angles C4'-P-C4' energy: -124.551
flat angles P-C4'-P energy: -78.850
tors. eta vs tors. theta energy: 19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2743.231914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.231914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.231914 (E_RNA)
where:
Base-Base interactions energy: -1912.000
where: short stacking energy: -797.175
Base-Backbone interact. energy: -6.763
local terms energy: -824.468438
where:
bonds (distance) C4'-P energy: -152.065
bonds (distance) P-C4' energy: -160.232
flat angles C4'-P-C4' energy: -181.651
flat angles P-C4'-P energy: -102.881
tors. eta vs tors. theta energy: -227.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2509.118361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.118361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.118361 (E_RNA)
where:
Base-Base interactions energy: -1690.587
where: short stacking energy: -741.388
Base-Backbone interact. energy: -1.749
local terms energy: -816.782692
where:
bonds (distance) C4'-P energy: -159.535
bonds (distance) P-C4' energy: -144.128
flat angles C4'-P-C4' energy: -170.918
flat angles P-C4'-P energy: -119.200
tors. eta vs tors. theta energy: -223.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2510.848387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.848387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.848387 (E_RNA)
where:
Base-Base interactions energy: -1744.568
where: short stacking energy: -719.482
Base-Backbone interact. energy: -2.999
local terms energy: -763.281106
where:
bonds (distance) C4'-P energy: -137.904
bonds (distance) P-C4' energy: -145.355
flat angles C4'-P-C4' energy: -172.592
flat angles P-C4'-P energy: -105.657
tors. eta vs tors. theta energy: -201.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2404.424021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.424021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.424021 (E_RNA)
where:
Base-Base interactions energy: -1629.958
where: short stacking energy: -707.266
Base-Backbone interact. energy: -2.714
local terms energy: -771.752260
where:
bonds (distance) C4'-P energy: -147.261
bonds (distance) P-C4' energy: -156.616
flat angles C4'-P-C4' energy: -165.689
flat angles P-C4'-P energy: -109.947
tors. eta vs tors. theta energy: -192.239
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: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2218.355034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.355034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.355034 (E_RNA)
where:
Base-Base interactions energy: -1479.726
where: short stacking energy: -625.665
Base-Backbone interact. energy: -0.224
local terms energy: -738.404181
where:
bonds (distance) C4'-P energy: -127.158
bonds (distance) P-C4' energy: -157.972
flat angles C4'-P-C4' energy: -161.356
flat angles P-C4'-P energy: -108.862
tors. eta vs tors. theta energy: -183.056
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: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1924.406644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.406644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.406644 (E_RNA)
where:
Base-Base interactions energy: -1248.958
where: short stacking energy: -538.836
Base-Backbone interact. energy: 2.990
local terms energy: -678.438992
where:
bonds (distance) C4'-P energy: -136.496
bonds (distance) P-C4' energy: -155.177
flat angles C4'-P-C4' energy: -154.374
flat angles P-C4'-P energy: -95.209
tors. eta vs tors. theta energy: -137.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1658.544059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.544059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.544059 (E_RNA)
where:
Base-Base interactions energy: -1010.704
where: short stacking energy: -445.561
Base-Backbone interact. energy: -1.850
local terms energy: -645.990078
where:
bonds (distance) C4'-P energy: -143.167
bonds (distance) P-C4' energy: -153.530
flat angles C4'-P-C4' energy: -146.988
flat angles P-C4'-P energy: -88.141
tors. eta vs tors. theta energy: -114.163
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: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1519.164014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.164014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.164014 (E_RNA)
where:
Base-Base interactions energy: -930.066
where: short stacking energy: -405.279
Base-Backbone interact. energy: 3.112
local terms energy: -592.209363
where:
bonds (distance) C4'-P energy: -123.230
bonds (distance) P-C4' energy: -155.390
flat angles C4'-P-C4' energy: -147.650
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -85.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -843.771443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.771443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.771443 (E_RNA)
where:
Base-Base interactions energy: -395.801
where: short stacking energy: -254.031
Base-Backbone interact. energy: 3.069
local terms energy: -451.038745
where:
bonds (distance) C4'-P energy: -123.442
bonds (distance) P-C4' energy: -151.438
flat angles C4'-P-C4' energy: -130.935
flat angles P-C4'-P energy: -67.881
tors. eta vs tors. theta energy: 22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -798.214329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.214329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.214329 (E_RNA)
where:
Base-Base interactions energy: -355.697
where: short stacking energy: -212.501
Base-Backbone interact. energy: 4.502
local terms energy: -447.019318
where:
bonds (distance) C4'-P energy: -136.964
bonds (distance) P-C4' energy: -137.624
flat angles C4'-P-C4' energy: -120.277
flat angles P-C4'-P energy: -71.057
tors. eta vs tors. theta energy: 18.903
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: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2713.807640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.807640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.807640 (E_RNA)
where:
Base-Base interactions energy: -1866.340
where: short stacking energy: -789.669
Base-Backbone interact. energy: -5.273
local terms energy: -842.194984
where:
bonds (distance) C4'-P energy: -151.107
bonds (distance) P-C4' energy: -169.143
flat angles C4'-P-C4' energy: -174.698
flat angles P-C4'-P energy: -112.946
tors. eta vs tors. theta energy: -234.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2576.677783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.677783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.677783 (E_RNA)
where:
Base-Base interactions energy: -1747.636
where: short stacking energy: -728.104
Base-Backbone interact. energy: 0.778
local terms energy: -829.820329
where:
bonds (distance) C4'-P energy: -161.766
bonds (distance) P-C4' energy: -167.009
flat angles C4'-P-C4' energy: -186.730
flat angles P-C4'-P energy: -107.746
tors. eta vs tors. theta energy: -206.570
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2511.420780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.420780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.420780 (E_RNA)
where:
Base-Base interactions energy: -1692.197
where: short stacking energy: -760.930
Base-Backbone interact. energy: -2.826
local terms energy: -816.397796
where:
bonds (distance) C4'-P energy: -145.455
bonds (distance) P-C4' energy: -155.020
flat angles C4'-P-C4' energy: -186.151
flat angles P-C4'-P energy: -101.218
tors. eta vs tors. theta energy: -228.554
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: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2377.814711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.814711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.814711 (E_RNA)
where:
Base-Base interactions energy: -1607.713
where: short stacking energy: -689.278
Base-Backbone interact. energy: -1.907
local terms energy: -768.194402
where:
bonds (distance) C4'-P energy: -139.293
bonds (distance) P-C4' energy: -157.262
flat angles C4'-P-C4' energy: -182.682
flat angles P-C4'-P energy: -95.203
tors. eta vs tors. theta energy: -193.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2267.873864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.873864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.873864 (E_RNA)
where:
Base-Base interactions energy: -1498.402
where: short stacking energy: -650.918
Base-Backbone interact. energy: -0.665
local terms energy: -768.806789
where:
bonds (distance) C4'-P energy: -160.211
bonds (distance) P-C4' energy: -143.697
flat angles C4'-P-C4' energy: -179.299
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -184.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1914.102199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.102199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.102199 (E_RNA)
where:
Base-Base interactions energy: -1273.206
where: short stacking energy: -564.734
Base-Backbone interact. energy: 3.966
local terms energy: -644.862280
where:
bonds (distance) C4'-P energy: -131.498
bonds (distance) P-C4' energy: -121.117
flat angles C4'-P-C4' energy: -155.449
flat angles P-C4'-P energy: -102.193
tors. eta vs tors. theta energy: -134.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1750.709646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.709646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.709646 (E_RNA)
where:
Base-Base interactions energy: -1101.616
where: short stacking energy: -502.530
Base-Backbone interact. energy: -3.407
local terms energy: -645.686375
where:
bonds (distance) C4'-P energy: -144.084
bonds (distance) P-C4' energy: -141.971
flat angles C4'-P-C4' energy: -149.624
flat angles P-C4'-P energy: -92.293
tors. eta vs tors. theta energy: -117.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1375.428773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.428773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.428773 (E_RNA)
where:
Base-Base interactions energy: -834.922
where: short stacking energy: -352.217
Base-Backbone interact. energy: -0.575
local terms energy: -539.931793
where:
bonds (distance) C4'-P energy: -120.854
bonds (distance) P-C4' energy: -156.437
flat angles C4'-P-C4' energy: -138.775
flat angles P-C4'-P energy: -86.557
tors. eta vs tors. theta energy: -37.310
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: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -925.265326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.265326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.265326 (E_RNA)
where:
Base-Base interactions energy: -453.141
where: short stacking energy: -262.527
Base-Backbone interact. energy: -1.218
local terms energy: -470.906803
where:
bonds (distance) C4'-P energy: -137.885
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -121.996
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -799.607121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.607121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.607121 (E_RNA)
where:
Base-Base interactions energy: -404.427
where: short stacking energy: -238.089
Base-Backbone interact. energy: 4.276
local terms energy: -399.456775
where:
bonds (distance) C4'-P energy: -129.735
bonds (distance) P-C4' energy: -126.340
flat angles C4'-P-C4' energy: -102.190
flat angles P-C4'-P energy: -71.776
tors. eta vs tors. theta energy: 30.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2738.196182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.196182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.196182 (E_RNA)
where:
Base-Base interactions energy: -1887.288
where: short stacking energy: -800.778
Base-Backbone interact. energy: -1.783
local terms energy: -849.125298
where:
bonds (distance) C4'-P energy: -148.992
bonds (distance) P-C4' energy: -165.187
flat angles C4'-P-C4' energy: -162.594
flat angles P-C4'-P energy: -130.321
tors. eta vs tors. theta energy: -242.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2579.678892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.678892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.678892 (E_RNA)
where:
Base-Base interactions energy: -1748.530
where: short stacking energy: -726.294
Base-Backbone interact. energy: -3.311
local terms energy: -827.837976
where:
bonds (distance) C4'-P energy: -155.020
bonds (distance) P-C4' energy: -160.755
flat angles C4'-P-C4' energy: -185.104
flat angles P-C4'-P energy: -120.915
tors. eta vs tors. theta energy: -206.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2404.432148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.432148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.432148 (E_RNA)
where:
Base-Base interactions energy: -1655.083
where: short stacking energy: -698.838
Base-Backbone interact. energy: 2.368
local terms energy: -751.716860
where:
bonds (distance) C4'-P energy: -166.988
bonds (distance) P-C4' energy: -149.827
flat angles C4'-P-C4' energy: -161.299
flat angles P-C4'-P energy: -94.214
tors. eta vs tors. theta energy: -179.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2383.811452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.811452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.811452 (E_RNA)
where:
Base-Base interactions energy: -1593.481
where: short stacking energy: -724.058
Base-Backbone interact. energy: 0.316
local terms energy: -790.646471
where:
bonds (distance) C4'-P energy: -151.527
bonds (distance) P-C4' energy: -136.633
flat angles C4'-P-C4' energy: -185.956
flat angles P-C4'-P energy: -110.842
tors. eta vs tors. theta energy: -205.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2188.297798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.297798 (E_RNA)
where:
Base-Base interactions energy: -1481.179
where: short stacking energy: -650.774
Base-Backbone interact. energy: -0.225
local terms energy: -706.893698
where:
bonds (distance) C4'-P energy: -148.504
bonds (distance) P-C4' energy: -137.411
flat angles C4'-P-C4' energy: -167.181
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -174.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1917.441654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.441654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.441654 (E_RNA)
where:
Base-Base interactions energy: -1252.231
where: short stacking energy: -523.170
Base-Backbone interact. energy: -1.200
local terms energy: -664.010668
where:
bonds (distance) C4'-P energy: -134.873
bonds (distance) P-C4' energy: -138.475
flat angles C4'-P-C4' energy: -155.407
flat angles P-C4'-P energy: -90.118
tors. eta vs tors. theta energy: -145.139
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: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1679.218324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.218324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.218324 (E_RNA)
where:
Base-Base interactions energy: -1089.676
where: short stacking energy: -466.352
Base-Backbone interact. energy: 0.787
local terms energy: -590.329255
where:
bonds (distance) C4'-P energy: -134.623
bonds (distance) P-C4' energy: -153.788
flat angles C4'-P-C4' energy: -132.653
flat angles P-C4'-P energy: -73.305
tors. eta vs tors. theta energy: -95.961
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: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1496.143269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.143269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.143269 (E_RNA)
where:
Base-Base interactions energy: -949.770
where: short stacking energy: -437.561
Base-Backbone interact. energy: -3.062
local terms energy: -543.311295
where:
bonds (distance) C4'-P energy: -136.996
bonds (distance) P-C4' energy: -125.777
flat angles C4'-P-C4' energy: -123.595
flat angles P-C4'-P energy: -78.341
tors. eta vs tors. theta energy: -78.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -961.814336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.814336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.814336 (E_RNA)
where:
Base-Base interactions energy: -518.300
where: short stacking energy: -276.241
Base-Backbone interact. energy: -2.666
local terms energy: -440.849012
where:
bonds (distance) C4'-P energy: -129.181
bonds (distance) P-C4' energy: -129.638
flat angles C4'-P-C4' energy: -99.394
flat angles P-C4'-P energy: -69.821
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -786.711294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.711294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.711294 (E_RNA)
where:
Base-Base interactions energy: -342.323
where: short stacking energy: -208.900
Base-Backbone interact. energy: -0.820
local terms energy: -443.568868
where:
bonds (distance) C4'-P energy: -131.107
bonds (distance) P-C4' energy: -150.242
flat angles C4'-P-C4' energy: -118.803
flat angles P-C4'-P energy: -57.589
tors. eta vs tors. theta energy: 14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2746.238819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.238819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.238819 (E_RNA)
where:
Base-Base interactions energy: -1890.182
where: short stacking energy: -800.424
Base-Backbone interact. energy: -5.031
local terms energy: -851.025058
where:
bonds (distance) C4'-P energy: -163.898
bonds (distance) P-C4' energy: -158.251
flat angles C4'-P-C4' energy: -176.171
flat angles P-C4'-P energy: -117.065
tors. eta vs tors. theta energy: -235.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2573.700395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.700395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.700395 (E_RNA)
where:
Base-Base interactions energy: -1747.876
where: short stacking energy: -748.655
Base-Backbone interact. energy: -3.495
local terms energy: -822.329157
where:
bonds (distance) C4'-P energy: -158.431
bonds (distance) P-C4' energy: -161.489
flat angles C4'-P-C4' energy: -174.054
flat angles P-C4'-P energy: -114.559
tors. eta vs tors. theta energy: -213.796
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2426.631909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.631909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.631909 (E_RNA)
where:
Base-Base interactions energy: -1631.396
where: short stacking energy: -708.347
Base-Backbone interact. energy: -1.822
local terms energy: -793.413407
where:
bonds (distance) C4'-P energy: -158.622
bonds (distance) P-C4' energy: -155.951
flat angles C4'-P-C4' energy: -186.752
flat angles P-C4'-P energy: -105.303
tors. eta vs tors. theta energy: -186.785
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: 229
Temperature: 1.050000
Total energy: -2394.900470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.900470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.900470 (E_RNA)
where:
Base-Base interactions energy: -1611.018
where: short stacking energy: -721.066
Base-Backbone interact. energy: -2.959
local terms energy: -780.923337
where:
bonds (distance) C4'-P energy: -131.126
bonds (distance) P-C4' energy: -158.011
flat angles C4'-P-C4' energy: -173.956
flat angles P-C4'-P energy: -104.016
tors. eta vs tors. theta energy: -213.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2192.468797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.468797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.468797 (E_RNA)
where:
Base-Base interactions energy: -1467.130
where: short stacking energy: -631.565
Base-Backbone interact. energy: -2.078
local terms energy: -723.260421
where:
bonds (distance) C4'-P energy: -133.964
bonds (distance) P-C4' energy: -161.113
flat angles C4'-P-C4' energy: -155.774
flat angles P-C4'-P energy: -104.713
tors. eta vs tors. theta energy: -167.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1897.931287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.931287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.931287 (E_RNA)
where:
Base-Base interactions energy: -1236.977
where: short stacking energy: -557.863
Base-Backbone interact. energy: -4.473
local terms energy: -656.481433
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -138.230
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -149.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1633.029675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.029675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.029675 (E_RNA)
where:
Base-Base interactions energy: -999.582
where: short stacking energy: -461.233
Base-Backbone interact. energy: -0.856
local terms energy: -632.592043
where:
bonds (distance) C4'-P energy: -144.757
bonds (distance) P-C4' energy: -130.886
flat angles C4'-P-C4' energy: -144.650
flat angles P-C4'-P energy: -109.177
tors. eta vs tors. theta energy: -103.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1462.220149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.220149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.220149 (E_RNA)
where:
Base-Base interactions energy: -935.477
where: short stacking energy: -425.364
Base-Backbone interact. energy: -0.917
local terms energy: -525.826348
where:
bonds (distance) C4'-P energy: -117.410
bonds (distance) P-C4' energy: -137.424
flat angles C4'-P-C4' energy: -134.623
flat angles P-C4'-P energy: -59.304
tors. eta vs tors. theta energy: -77.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -855.310802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.310802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.310802 (E_RNA)
where:
Base-Base interactions energy: -404.781
where: short stacking energy: -217.478
Base-Backbone interact. energy: 5.224
local terms energy: -455.753814
where:
bonds (distance) C4'-P energy: -110.856
bonds (distance) P-C4' energy: -130.130
flat angles C4'-P-C4' energy: -125.146
flat angles P-C4'-P energy: -94.514
tors. eta vs tors. theta energy: 4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -788.670786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.670786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.670786 (E_RNA)
where:
Base-Base interactions energy: -405.227
where: short stacking energy: -240.404
Base-Backbone interact. energy: -1.336
local terms energy: -382.108048
where:
bonds (distance) C4'-P energy: -126.247
bonds (distance) P-C4' energy: -137.921
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: 28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2749.579194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.579194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.579194 (E_RNA)
where:
Base-Base interactions energy: -1872.787
where: short stacking energy: -798.367
Base-Backbone interact. energy: -2.987
local terms energy: -873.805009
where:
bonds (distance) C4'-P energy: -167.523
bonds (distance) P-C4' energy: -177.146
flat angles C4'-P-C4' energy: -174.090
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -235.458
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: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2591.249033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.249033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.249033 (E_RNA)
where:
Base-Base interactions energy: -1797.438
where: short stacking energy: -719.381
Base-Backbone interact. energy: -5.043
local terms energy: -788.768121
where:
bonds (distance) C4'-P energy: -155.691
bonds (distance) P-C4' energy: -135.266
flat angles C4'-P-C4' energy: -177.886
flat angles P-C4'-P energy: -106.829
tors. eta vs tors. theta energy: -213.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2468.450245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.450245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.450245 (E_RNA)
where:
Base-Base interactions energy: -1644.974
where: short stacking energy: -740.328
Base-Backbone interact. energy: -3.831
local terms energy: -819.645174
where:
bonds (distance) C4'-P energy: -153.387
bonds (distance) P-C4' energy: -155.906
flat angles C4'-P-C4' energy: -163.584
flat angles P-C4'-P energy: -120.976
tors. eta vs tors. theta energy: -225.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2371.564654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.564654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.564654 (E_RNA)
where:
Base-Base interactions energy: -1616.795
where: short stacking energy: -707.077
Base-Backbone interact. energy: -3.481
local terms energy: -751.288912
where:
bonds (distance) C4'-P energy: -130.017
bonds (distance) P-C4' energy: -149.232
flat angles C4'-P-C4' energy: -161.501
flat angles P-C4'-P energy: -111.466
tors. eta vs tors. theta energy: -199.074
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2228.901806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.901806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.901806 (E_RNA)
where:
Base-Base interactions energy: -1493.521
where: short stacking energy: -616.827
Base-Backbone interact. energy: -3.274
local terms energy: -732.106524
where:
bonds (distance) C4'-P energy: -155.105
bonds (distance) P-C4' energy: -160.306
flat angles C4'-P-C4' energy: -164.443
flat angles P-C4'-P energy: -98.555
tors. eta vs tors. theta energy: -153.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1895.139804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.139804 (E_RNA)
where:
Base-Base interactions energy: -1208.991
where: short stacking energy: -556.618
Base-Backbone interact. energy: 3.302
local terms energy: -689.450799
where:
bonds (distance) C4'-P energy: -127.488
bonds (distance) P-C4' energy: -147.747
flat angles C4'-P-C4' energy: -150.131
flat angles P-C4'-P energy: -98.890
tors. eta vs tors. theta energy: -165.195
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: 230
Temperature: 1.200000
Total energy: -1736.746881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.746881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.746881 (E_RNA)
where:
Base-Base interactions energy: -1101.513
where: short stacking energy: -487.738
Base-Backbone interact. energy: -2.341
local terms energy: -632.892153
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -140.756
flat angles C4'-P-C4' energy: -147.481
flat angles P-C4'-P energy: -94.516
tors. eta vs tors. theta energy: -113.987
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1481.758987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.758987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.758987 (E_RNA)
where:
Base-Base interactions energy: -933.231
where: short stacking energy: -440.913
Base-Backbone interact. energy: -0.989
local terms energy: -547.539086
where:
bonds (distance) C4'-P energy: -112.699
bonds (distance) P-C4' energy: -144.122
flat angles C4'-P-C4' energy: -134.245
flat angles P-C4'-P energy: -73.338
tors. eta vs tors. theta energy: -83.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -901.791115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.791115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.791115 (E_RNA)
where:
Base-Base interactions energy: -420.582
where: short stacking energy: -239.540
Base-Backbone interact. energy: -0.606
local terms energy: -480.602833
where:
bonds (distance) C4'-P energy: -136.614
bonds (distance) P-C4' energy: -142.999
flat angles C4'-P-C4' energy: -114.437
flat angles P-C4'-P energy: -80.039
tors. eta vs tors. theta energy: -6.514
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: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -814.777006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.777006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.777006 (E_RNA)
where:
Base-Base interactions energy: -364.574
where: short stacking energy: -205.916
Base-Backbone interact. energy: -1.663
local terms energy: -448.539979
where:
bonds (distance) C4'-P energy: -125.067
bonds (distance) P-C4' energy: -138.473
flat angles C4'-P-C4' energy: -116.389
flat angles P-C4'-P energy: -76.955
tors. eta vs tors. theta energy: 8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2714.472272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.472272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.472272 (E_RNA)
where:
Base-Base interactions energy: -1870.134
where: short stacking energy: -776.019
Base-Backbone interact. energy: -1.286
local terms energy: -843.051924
where:
bonds (distance) C4'-P energy: -161.283
bonds (distance) P-C4' energy: -160.217
flat angles C4'-P-C4' energy: -175.126
flat angles P-C4'-P energy: -122.190
tors. eta vs tors. theta energy: -224.236
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: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2586.907550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.907550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.907550 (E_RNA)
where:
Base-Base interactions energy: -1772.453
where: short stacking energy: -712.549
Base-Backbone interact. energy: -0.212
local terms energy: -814.243112
where:
bonds (distance) C4'-P energy: -165.223
bonds (distance) P-C4' energy: -159.289
flat angles C4'-P-C4' energy: -179.833
flat angles P-C4'-P energy: -105.076
tors. eta vs tors. theta energy: -204.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2458.997271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.997271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.997271 (E_RNA)
where:
Base-Base interactions energy: -1672.508
where: short stacking energy: -731.480
Base-Backbone interact. energy: 0.922
local terms energy: -787.411270
where:
bonds (distance) C4'-P energy: -139.768
bonds (distance) P-C4' energy: -154.509
flat angles C4'-P-C4' energy: -171.577
flat angles P-C4'-P energy: -99.806
tors. eta vs tors. theta energy: -221.751
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2427.865773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.865773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.865773 (E_RNA)
where:
Base-Base interactions energy: -1663.427
where: short stacking energy: -681.991
Base-Backbone interact. energy: -5.583
local terms energy: -758.855787
where:
bonds (distance) C4'-P energy: -147.789
bonds (distance) P-C4' energy: -137.522
flat angles C4'-P-C4' energy: -156.722
flat angles P-C4'-P energy: -122.145
tors. eta vs tors. theta energy: -194.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2280.762576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.762576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.762576 (E_RNA)
where:
Base-Base interactions energy: -1560.606
where: short stacking energy: -649.880
Base-Backbone interact. energy: -2.935
local terms energy: -717.221334
where:
bonds (distance) C4'-P energy: -134.754
bonds (distance) P-C4' energy: -135.714
flat angles C4'-P-C4' energy: -172.991
flat angles P-C4'-P energy: -100.122
tors. eta vs tors. theta energy: -173.641
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: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1912.137901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.137901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.137901 (E_RNA)
where:
Base-Base interactions energy: -1206.390
where: short stacking energy: -551.019
Base-Backbone interact. energy: -0.487
local terms energy: -705.261179
where:
bonds (distance) C4'-P energy: -158.721
bonds (distance) P-C4' energy: -144.599
flat angles C4'-P-C4' energy: -147.860
flat angles P-C4'-P energy: -117.742
tors. eta vs tors. theta energy: -136.338
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: 231
Temperature: 1.200000
Total energy: -1765.277783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.277783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.277783 (E_RNA)
where:
Base-Base interactions energy: -1146.791
where: short stacking energy: -522.822
Base-Backbone interact. energy: -0.200
local terms energy: -618.286372
where:
bonds (distance) C4'-P energy: -137.238
bonds (distance) P-C4' energy: -140.510
flat angles C4'-P-C4' energy: -173.991
flat angles P-C4'-P energy: -53.974
tors. eta vs tors. theta energy: -112.573
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1497.559844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.559844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.559844 (E_RNA)
where:
Base-Base interactions energy: -934.727
where: short stacking energy: -410.556
Base-Backbone interact. energy: 0.522
local terms energy: -563.355288
where:
bonds (distance) C4'-P energy: -124.533
bonds (distance) P-C4' energy: -144.754
flat angles C4'-P-C4' energy: -138.303
flat angles P-C4'-P energy: -88.833
tors. eta vs tors. theta energy: -66.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -933.583991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.583991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.583991 (E_RNA)
where:
Base-Base interactions energy: -524.763
where: short stacking energy: -268.472
Base-Backbone interact. energy: 0.608
local terms energy: -409.428636
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -127.923
flat angles C4'-P-C4' energy: -95.020
flat angles P-C4'-P energy: -68.840
tors. eta vs tors. theta energy: -14.835
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: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -782.304951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.304951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.304951 (E_RNA)
where:
Base-Base interactions energy: -330.476
where: short stacking energy: -219.832
Base-Backbone interact. energy: -0.240
local terms energy: -451.589058
where:
bonds (distance) C4'-P energy: -126.806
bonds (distance) P-C4' energy: -135.778
flat angles C4'-P-C4' energy: -132.776
flat angles P-C4'-P energy: -54.461
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2701.985900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.985900 (E_RNA)
where:
Base-Base interactions energy: -1847.716
where: short stacking energy: -779.162
Base-Backbone interact. energy: -3.854
local terms energy: -850.415449
where:
bonds (distance) C4'-P energy: -155.645
bonds (distance) P-C4' energy: -161.321
flat angles C4'-P-C4' energy: -182.234
flat angles P-C4'-P energy: -118.889
tors. eta vs tors. theta energy: -232.326
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2597.130400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.130400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.130400 (E_RNA)
where:
Base-Base interactions energy: -1792.345
where: short stacking energy: -758.278
Base-Backbone interact. energy: 0.015
local terms energy: -804.800389
where:
bonds (distance) C4'-P energy: -137.951
bonds (distance) P-C4' energy: -153.322
flat angles C4'-P-C4' energy: -178.652
flat angles P-C4'-P energy: -125.150
tors. eta vs tors. theta energy: -209.725
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: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2461.795105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.795105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.795105 (E_RNA)
where:
Base-Base interactions energy: -1634.415
where: short stacking energy: -719.591
Base-Backbone interact. energy: -2.171
local terms energy: -825.208481
where:
bonds (distance) C4'-P energy: -161.092
bonds (distance) P-C4' energy: -155.365
flat angles C4'-P-C4' energy: -173.322
flat angles P-C4'-P energy: -113.135
tors. eta vs tors. theta energy: -222.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2419.679871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.679871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.679871 (E_RNA)
where:
Base-Base interactions energy: -1669.049
where: short stacking energy: -685.894
Base-Backbone interact. energy: -1.641
local terms energy: -748.989967
where:
bonds (distance) C4'-P energy: -144.779
bonds (distance) P-C4' energy: -145.730
flat angles C4'-P-C4' energy: -176.864
flat angles P-C4'-P energy: -95.123
tors. eta vs tors. theta energy: -186.495
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: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2254.050996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.050996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.050996 (E_RNA)
where:
Base-Base interactions energy: -1539.069
where: short stacking energy: -637.471
Base-Backbone interact. energy: 4.007
local terms energy: -718.989535
where:
bonds (distance) C4'-P energy: -119.973
bonds (distance) P-C4' energy: -154.358
flat angles C4'-P-C4' energy: -170.509
flat angles P-C4'-P energy: -101.601
tors. eta vs tors. theta energy: -172.550
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: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1978.024992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.024992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.024992 (E_RNA)
where:
Base-Base interactions energy: -1292.096
where: short stacking energy: -567.160
Base-Backbone interact. energy: -1.032
local terms energy: -684.896798
where:
bonds (distance) C4'-P energy: -148.293
bonds (distance) P-C4' energy: -140.942
flat angles C4'-P-C4' energy: -158.982
flat angles P-C4'-P energy: -90.174
tors. eta vs tors. theta energy: -146.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1799.265879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.265879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.265879 (E_RNA)
where:
Base-Base interactions energy: -1172.010
where: short stacking energy: -493.351
Base-Backbone interact. energy: -0.062
local terms energy: -627.193838
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -142.864
flat angles C4'-P-C4' energy: -139.533
flat angles P-C4'-P energy: -95.219
tors. eta vs tors. theta energy: -109.666
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: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1491.781553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.781553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.781553 (E_RNA)
where:
Base-Base interactions energy: -900.138
where: short stacking energy: -411.083
Base-Backbone interact. energy: 0.247
local terms energy: -591.889982
where:
bonds (distance) C4'-P energy: -128.418
bonds (distance) P-C4' energy: -134.708
flat angles C4'-P-C4' energy: -141.916
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -102.748
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1019.539547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.539547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.539547 (E_RNA)
where:
Base-Base interactions energy: -551.388
where: short stacking energy: -306.134
Base-Backbone interact. energy: -3.049
local terms energy: -465.102741
where:
bonds (distance) C4'-P energy: -99.602
bonds (distance) P-C4' energy: -132.778
flat angles C4'-P-C4' energy: -126.520
flat angles P-C4'-P energy: -78.871
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -716.453520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.453520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.453520 (E_RNA)
where:
Base-Base interactions energy: -287.554
where: short stacking energy: -182.303
Base-Backbone interact. energy: 1.830
local terms energy: -430.729605
where:
bonds (distance) C4'-P energy: -118.658
bonds (distance) P-C4' energy: -148.165
flat angles C4'-P-C4' energy: -105.357
flat angles P-C4'-P energy: -74.251
tors. eta vs tors. theta energy: 15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2717.493983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.493983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.493983 (E_RNA)
where:
Base-Base interactions energy: -1838.199
where: short stacking energy: -787.507
Base-Backbone interact. energy: -4.095
local terms energy: -875.200098
where:
bonds (distance) C4'-P energy: -171.661
bonds (distance) P-C4' energy: -157.720
flat angles C4'-P-C4' energy: -189.552
flat angles P-C4'-P energy: -130.794
tors. eta vs tors. theta energy: -225.474
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2603.777540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.777540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.777540 (E_RNA)
where:
Base-Base interactions energy: -1808.707
where: short stacking energy: -745.466
Base-Backbone interact. energy: 2.958
local terms energy: -798.028260
where:
bonds (distance) C4'-P energy: -157.658
bonds (distance) P-C4' energy: -163.068
flat angles C4'-P-C4' energy: -172.897
flat angles P-C4'-P energy: -108.404
tors. eta vs tors. theta energy: -196.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2449.277845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.277845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.277845 (E_RNA)
where:
Base-Base interactions energy: -1636.156
where: short stacking energy: -744.323
Base-Backbone interact. energy: -1.823
local terms energy: -811.298825
where:
bonds (distance) C4'-P energy: -146.800
bonds (distance) P-C4' energy: -141.070
flat angles C4'-P-C4' energy: -188.934
flat angles P-C4'-P energy: -101.357
tors. eta vs tors. theta energy: -233.137
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2384.906654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.906654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.906654 (E_RNA)
where:
Base-Base interactions energy: -1613.541
where: short stacking energy: -665.145
Base-Backbone interact. energy: -2.541
local terms energy: -768.825351
where:
bonds (distance) C4'-P energy: -146.957
bonds (distance) P-C4' energy: -170.311
flat angles C4'-P-C4' energy: -166.753
flat angles P-C4'-P energy: -112.421
tors. eta vs tors. theta energy: -172.384
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: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2276.249389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.249389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.249389 (E_RNA)
where:
Base-Base interactions energy: -1575.270
where: short stacking energy: -648.954
Base-Backbone interact. energy: 3.489
local terms energy: -704.468606
where:
bonds (distance) C4'-P energy: -152.520
bonds (distance) P-C4' energy: -147.844
flat angles C4'-P-C4' energy: -142.353
flat angles P-C4'-P energy: -91.770
tors. eta vs tors. theta energy: -169.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1972.224843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.224843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.224843 (E_RNA)
where:
Base-Base interactions energy: -1284.538
where: short stacking energy: -561.243
Base-Backbone interact. energy: -0.262
local terms energy: -687.425080
where:
bonds (distance) C4'-P energy: -136.537
bonds (distance) P-C4' energy: -158.969
flat angles C4'-P-C4' energy: -151.525
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -145.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1809.011744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.011744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.011744 (E_RNA)
where:
Base-Base interactions energy: -1168.345
where: short stacking energy: -512.291
Base-Backbone interact. energy: 2.303
local terms energy: -642.969837
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -147.731
flat angles C4'-P-C4' energy: -150.009
flat angles P-C4'-P energy: -88.073
tors. eta vs tors. theta energy: -122.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1461.022157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.022157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.022157 (E_RNA)
where:
Base-Base interactions energy: -887.454
where: short stacking energy: -390.440
Base-Backbone interact. energy: -2.007
local terms energy: -571.561410
where:
bonds (distance) C4'-P energy: -115.970
bonds (distance) P-C4' energy: -129.892
flat angles C4'-P-C4' energy: -142.720
flat angles P-C4'-P energy: -99.830
tors. eta vs tors. theta energy: -83.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -991.476025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.476025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.476025 (E_RNA)
where:
Base-Base interactions energy: -533.440
where: short stacking energy: -271.438
Base-Backbone interact. energy: 4.679
local terms energy: -462.715499
where:
bonds (distance) C4'-P energy: -126.923
bonds (distance) P-C4' energy: -122.069
flat angles C4'-P-C4' energy: -138.395
flat angles P-C4'-P energy: -75.813
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -791.852364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.852364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.852364 (E_RNA)
where:
Base-Base interactions energy: -367.390
where: short stacking energy: -229.305
Base-Backbone interact. energy: 4.405
local terms energy: -428.867528
where:
bonds (distance) C4'-P energy: -130.557
bonds (distance) P-C4' energy: -127.143
flat angles C4'-P-C4' energy: -108.103
flat angles P-C4'-P energy: -60.930
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2678.794524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.794524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.794524 (E_RNA)
where:
Base-Base interactions energy: -1827.792
where: short stacking energy: -769.057
Base-Backbone interact. energy: -3.626
local terms energy: -847.376090
where:
bonds (distance) C4'-P energy: -160.630
bonds (distance) P-C4' energy: -157.195
flat angles C4'-P-C4' energy: -178.718
flat angles P-C4'-P energy: -116.876
tors. eta vs tors. theta energy: -233.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2629.094538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.094538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.094538 (E_RNA)
where:
Base-Base interactions energy: -1818.986
where: short stacking energy: -730.826
Base-Backbone interact. energy: -5.776
local terms energy: -804.332354
where:
bonds (distance) C4'-P energy: -164.218
bonds (distance) P-C4' energy: -152.002
flat angles C4'-P-C4' energy: -174.362
flat angles P-C4'-P energy: -112.063
tors. eta vs tors. theta energy: -201.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2481.755003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.755003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.755003 (E_RNA)
where:
Base-Base interactions energy: -1643.157
where: short stacking energy: -730.186
Base-Backbone interact. energy: -1.551
local terms energy: -837.046922
where:
bonds (distance) C4'-P energy: -158.649
bonds (distance) P-C4' energy: -152.812
flat angles C4'-P-C4' energy: -179.806
flat angles P-C4'-P energy: -121.462
tors. eta vs tors. theta energy: -224.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2411.259137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.259137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.259137 (E_RNA)
where:
Base-Base interactions energy: -1662.227
where: short stacking energy: -693.583
Base-Backbone interact. energy: -0.395
local terms energy: -748.637546
where:
bonds (distance) C4'-P energy: -155.718
bonds (distance) P-C4' energy: -152.807
flat angles C4'-P-C4' energy: -160.243
flat angles P-C4'-P energy: -89.220
tors. eta vs tors. theta energy: -190.649
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: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2276.084672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.084672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.084672 (E_RNA)
where:
Base-Base interactions energy: -1548.850
where: short stacking energy: -633.484
Base-Backbone interact. energy: -1.462
local terms energy: -725.772392
where:
bonds (distance) C4'-P energy: -123.340
bonds (distance) P-C4' energy: -155.611
flat angles C4'-P-C4' energy: -166.100
flat angles P-C4'-P energy: -102.106
tors. eta vs tors. theta energy: -178.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2011.416111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.416111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.416111 (E_RNA)
where:
Base-Base interactions energy: -1309.225
where: short stacking energy: -573.347
Base-Backbone interact. energy: -2.762
local terms energy: -699.429099
where:
bonds (distance) C4'-P energy: -156.702
bonds (distance) P-C4' energy: -139.076
flat angles C4'-P-C4' energy: -154.602
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -152.216
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1749.825576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.825576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.825576 (E_RNA)
where:
Base-Base interactions energy: -1124.233
where: short stacking energy: -490.671
Base-Backbone interact. energy: -1.543
local terms energy: -624.049583
where:
bonds (distance) C4'-P energy: -134.180
bonds (distance) P-C4' energy: -136.127
flat angles C4'-P-C4' energy: -155.343
flat angles P-C4'-P energy: -101.102
tors. eta vs tors. theta energy: -97.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1358.412517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.412517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.412517 (E_RNA)
where:
Base-Base interactions energy: -822.950
where: short stacking energy: -389.198
Base-Backbone interact. energy: -1.793
local terms energy: -533.670485
where:
bonds (distance) C4'-P energy: -110.107
bonds (distance) P-C4' energy: -145.418
flat angles C4'-P-C4' energy: -134.416
flat angles P-C4'-P energy: -87.151
tors. eta vs tors. theta energy: -56.578
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: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -988.204497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.204497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.204497 (E_RNA)
where:
Base-Base interactions energy: -520.777
where: short stacking energy: -294.886
Base-Backbone interact. energy: 3.659
local terms energy: -471.086412
where:
bonds (distance) C4'-P energy: -146.320
bonds (distance) P-C4' energy: -129.941
flat angles C4'-P-C4' energy: -118.573
flat angles P-C4'-P energy: -63.512
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -755.083467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.083467 (E_RNA)
where:
Base-Base interactions energy: -332.459
where: short stacking energy: -204.385
Base-Backbone interact. energy: 0.913
local terms energy: -423.537360
where:
bonds (distance) C4'-P energy: -135.997
bonds (distance) P-C4' energy: -137.717
flat angles C4'-P-C4' energy: -109.479
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: 13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2724.425545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.425545 (E_RNA)
where:
Base-Base interactions energy: -1893.629
where: short stacking energy: -783.296
Base-Backbone interact. energy: -5.082
local terms energy: -825.714498
where:
bonds (distance) C4'-P energy: -159.827
bonds (distance) P-C4' energy: -151.851
flat angles C4'-P-C4' energy: -181.706
flat angles P-C4'-P energy: -106.561
tors. eta vs tors. theta energy: -225.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2603.912055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.912055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.912055 (E_RNA)
where:
Base-Base interactions energy: -1804.016
where: short stacking energy: -747.359
Base-Backbone interact. energy: -0.025
local terms energy: -799.871206
where:
bonds (distance) C4'-P energy: -133.040
bonds (distance) P-C4' energy: -157.250
flat angles C4'-P-C4' energy: -190.232
flat angles P-C4'-P energy: -114.519
tors. eta vs tors. theta energy: -204.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2452.281481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.281481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.281481 (E_RNA)
where:
Base-Base interactions energy: -1619.051
where: short stacking energy: -742.095
Base-Backbone interact. energy: -0.392
local terms energy: -832.838657
where:
bonds (distance) C4'-P energy: -148.504
bonds (distance) P-C4' energy: -171.293
flat angles C4'-P-C4' energy: -177.541
flat angles P-C4'-P energy: -105.299
tors. eta vs tors. theta energy: -230.202
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: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2380.665111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.665111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.665111 (E_RNA)
where:
Base-Base interactions energy: -1596.178
where: short stacking energy: -680.552
Base-Backbone interact. energy: 0.684
local terms energy: -785.171612
where:
bonds (distance) C4'-P energy: -154.643
bonds (distance) P-C4' energy: -165.411
flat angles C4'-P-C4' energy: -169.341
flat angles P-C4'-P energy: -108.450
tors. eta vs tors. theta energy: -187.327
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2222.377181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.377181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.377181 (E_RNA)
where:
Base-Base interactions energy: -1499.644
where: short stacking energy: -624.396
Base-Backbone interact. energy: -1.487
local terms energy: -721.246089
where:
bonds (distance) C4'-P energy: -144.416
bonds (distance) P-C4' energy: -151.007
flat angles C4'-P-C4' energy: -152.424
flat angles P-C4'-P energy: -96.496
tors. eta vs tors. theta energy: -176.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1995.931715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.931715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.931715 (E_RNA)
where:
Base-Base interactions energy: -1307.451
where: short stacking energy: -568.653
Base-Backbone interact. energy: -3.577
local terms energy: -684.903701
where:
bonds (distance) C4'-P energy: -149.696
bonds (distance) P-C4' energy: -146.015
flat angles C4'-P-C4' energy: -154.034
flat angles P-C4'-P energy: -91.519
tors. eta vs tors. theta energy: -143.640
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1693.266710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.266710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.266710 (E_RNA)
where:
Base-Base interactions energy: -1076.129
where: short stacking energy: -458.950
Base-Backbone interact. energy: 2.389
local terms energy: -619.526939
where:
bonds (distance) C4'-P energy: -121.759
bonds (distance) P-C4' energy: -137.262
flat angles C4'-P-C4' energy: -148.903
flat angles P-C4'-P energy: -114.239
tors. eta vs tors. theta energy: -97.363
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1296.289001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.289001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.289001 (E_RNA)
where:
Base-Base interactions energy: -822.982
where: short stacking energy: -375.175
Base-Backbone interact. energy: 3.829
local terms energy: -477.135830
where:
bonds (distance) C4'-P energy: -144.105
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -87.485
flat angles P-C4'-P energy: -78.305
tors. eta vs tors. theta energy: -52.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -937.568350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.568350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.568350 (E_RNA)
where:
Base-Base interactions energy: -481.439
where: short stacking energy: -277.907
Base-Backbone interact. energy: 4.558
local terms energy: -460.687604
where:
bonds (distance) C4'-P energy: -115.024
bonds (distance) P-C4' energy: -145.734
flat angles C4'-P-C4' energy: -116.227
flat angles P-C4'-P energy: -68.814
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -727.281263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.281263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.281263 (E_RNA)
where:
Base-Base interactions energy: -337.155
where: short stacking energy: -182.826
Base-Backbone interact. energy: 1.231
local terms energy: -391.356766
where:
bonds (distance) C4'-P energy: -120.661
bonds (distance) P-C4' energy: -136.981
flat angles C4'-P-C4' energy: -98.813
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: 11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2702.550514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.550514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.550514 (E_RNA)
where:
Base-Base interactions energy: -1868.531
where: short stacking energy: -783.662
Base-Backbone interact. energy: -2.856
local terms energy: -831.164118
where:
bonds (distance) C4'-P energy: -162.943
bonds (distance) P-C4' energy: -157.797
flat angles C4'-P-C4' energy: -177.939
flat angles P-C4'-P energy: -105.619
tors. eta vs tors. theta energy: -226.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2618.779070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.779070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.779070 (E_RNA)
where:
Base-Base interactions energy: -1820.984
where: short stacking energy: -737.464
Base-Backbone interact. energy: 0.788
local terms energy: -798.582459
where:
bonds (distance) C4'-P energy: -160.835
bonds (distance) P-C4' energy: -142.638
flat angles C4'-P-C4' energy: -171.060
flat angles P-C4'-P energy: -114.131
tors. eta vs tors. theta energy: -209.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2453.558966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.558966 (E_RNA)
where:
Base-Base interactions energy: -1647.134
where: short stacking energy: -747.205
Base-Backbone interact. energy: -1.803
local terms energy: -804.621713
where:
bonds (distance) C4'-P energy: -146.097
bonds (distance) P-C4' energy: -142.582
flat angles C4'-P-C4' energy: -182.720
flat angles P-C4'-P energy: -112.984
tors. eta vs tors. theta energy: -220.238
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2390.015873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.015873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.015873 (E_RNA)
where:
Base-Base interactions energy: -1624.543
where: short stacking energy: -681.895
Base-Backbone interact. energy: 1.246
local terms energy: -766.718747
where:
bonds (distance) C4'-P energy: -142.342
bonds (distance) P-C4' energy: -142.337
flat angles C4'-P-C4' energy: -170.697
flat angles P-C4'-P energy: -117.807
tors. eta vs tors. theta energy: -193.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2219.783608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.783608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.783608 (E_RNA)
where:
Base-Base interactions energy: -1512.327
where: short stacking energy: -646.548
Base-Backbone interact. energy: -2.164
local terms energy: -705.292861
where:
bonds (distance) C4'-P energy: -157.708
bonds (distance) P-C4' energy: -120.429
flat angles C4'-P-C4' energy: -148.056
flat angles P-C4'-P energy: -103.976
tors. eta vs tors. theta energy: -175.123
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: 236
Temperature: 1.150000
Total energy: -1937.247415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.247415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.247415 (E_RNA)
where:
Base-Base interactions energy: -1265.933
where: short stacking energy: -557.607
Base-Backbone interact. energy: -2.485
local terms energy: -668.829384
where:
bonds (distance) C4'-P energy: -130.443
bonds (distance) P-C4' energy: -159.753
flat angles C4'-P-C4' energy: -143.367
flat angles P-C4'-P energy: -100.620
tors. eta vs tors. theta energy: -134.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1670.799863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.799863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.799863 (E_RNA)
where:
Base-Base interactions energy: -1073.739
where: short stacking energy: -497.228
Base-Backbone interact. energy: 0.612
local terms energy: -597.672796
where:
bonds (distance) C4'-P energy: -137.152
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -134.883
flat angles P-C4'-P energy: -83.659
tors. eta vs tors. theta energy: -116.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1254.788946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.788946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.788946 (E_RNA)
where:
Base-Base interactions energy: -745.530
where: short stacking energy: -354.845
Base-Backbone interact. energy: -2.799
local terms energy: -506.459697
where:
bonds (distance) C4'-P energy: -116.519
bonds (distance) P-C4' energy: -134.815
flat angles C4'-P-C4' energy: -138.061
flat angles P-C4'-P energy: -81.960
tors. eta vs tors. theta energy: -35.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -965.059500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.059500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.059500 (E_RNA)
where:
Base-Base interactions energy: -527.725
where: short stacking energy: -285.143
Base-Backbone interact. energy: -0.303
local terms energy: -437.031228
where:
bonds (distance) C4'-P energy: -107.960
bonds (distance) P-C4' energy: -146.932
flat angles C4'-P-C4' energy: -116.344
flat angles P-C4'-P energy: -69.915
tors. eta vs tors. theta energy: 4.120
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: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -764.169448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.169448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.169448 (E_RNA)
where:
Base-Base interactions energy: -364.986
where: short stacking energy: -199.377
Base-Backbone interact. energy: 5.521
local terms energy: -404.703974
where:
bonds (distance) C4'-P energy: -103.174
bonds (distance) P-C4' energy: -142.392
flat angles C4'-P-C4' energy: -117.044
flat angles P-C4'-P energy: -59.756
tors. eta vs tors. theta energy: 17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2725.694219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.694219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.694219 (E_RNA)
where:
Base-Base interactions energy: -1869.186
where: short stacking energy: -819.909
Base-Backbone interact. energy: -5.816
local terms energy: -850.692670
where:
bonds (distance) C4'-P energy: -152.997
bonds (distance) P-C4' energy: -155.403
flat angles C4'-P-C4' energy: -187.898
flat angles P-C4'-P energy: -114.329
tors. eta vs tors. theta energy: -240.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2638.056624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.056624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.056624 (E_RNA)
where:
Base-Base interactions energy: -1816.580
where: short stacking energy: -773.900
Base-Backbone interact. energy: -4.314
local terms energy: -817.162237
where:
bonds (distance) C4'-P energy: -154.493
bonds (distance) P-C4' energy: -160.726
flat angles C4'-P-C4' energy: -174.255
flat angles P-C4'-P energy: -114.639
tors. eta vs tors. theta energy: -213.049
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: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2453.268721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.268721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.268721 (E_RNA)
where:
Base-Base interactions energy: -1631.125
where: short stacking energy: -699.090
Base-Backbone interact. energy: -0.832
local terms energy: -821.311579
where:
bonds (distance) C4'-P energy: -149.531
bonds (distance) P-C4' energy: -158.379
flat angles C4'-P-C4' energy: -173.544
flat angles P-C4'-P energy: -117.715
tors. eta vs tors. theta energy: -222.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2411.541055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.541055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.541055 (E_RNA)
where:
Base-Base interactions energy: -1670.072
where: short stacking energy: -700.877
Base-Backbone interact. energy: 8.172
local terms energy: -749.640870
where:
bonds (distance) C4'-P energy: -131.698
bonds (distance) P-C4' energy: -140.000
flat angles C4'-P-C4' energy: -185.437
flat angles P-C4'-P energy: -100.364
tors. eta vs tors. theta energy: -192.142
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: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2228.997244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.997244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.997244 (E_RNA)
where:
Base-Base interactions energy: -1496.370
where: short stacking energy: -636.832
Base-Backbone interact. energy: -6.949
local terms energy: -725.678657
where:
bonds (distance) C4'-P energy: -138.912
bonds (distance) P-C4' energy: -154.778
flat angles C4'-P-C4' energy: -162.457
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -183.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1929.318532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.318532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.318532 (E_RNA)
where:
Base-Base interactions energy: -1272.181
where: short stacking energy: -556.414
Base-Backbone interact. energy: -4.773
local terms energy: -652.364399
where:
bonds (distance) C4'-P energy: -136.750
bonds (distance) P-C4' energy: -146.406
flat angles C4'-P-C4' energy: -137.502
flat angles P-C4'-P energy: -80.510
tors. eta vs tors. theta energy: -151.196
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: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1685.964020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.964020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.964020 (E_RNA)
where:
Base-Base interactions energy: -1073.819
where: short stacking energy: -475.915
Base-Backbone interact. energy: -1.428
local terms energy: -610.716438
where:
bonds (distance) C4'-P energy: -143.817
bonds (distance) P-C4' energy: -128.507
flat angles C4'-P-C4' energy: -132.434
flat angles P-C4'-P energy: -105.531
tors. eta vs tors. theta energy: -100.427
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: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1324.533889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.533889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.533889 (E_RNA)
where:
Base-Base interactions energy: -810.048
where: short stacking energy: -368.127
Base-Backbone interact. energy: -1.878
local terms energy: -512.608170
where:
bonds (distance) C4'-P energy: -131.163
bonds (distance) P-C4' energy: -141.793
flat angles C4'-P-C4' energy: -110.611
flat angles P-C4'-P energy: -76.173
tors. eta vs tors. theta energy: -52.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -973.282079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.282079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.282079 (E_RNA)
where:
Base-Base interactions energy: -510.883
where: short stacking energy: -271.141
Base-Backbone interact. energy: -2.109
local terms energy: -460.290179
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -130.849
flat angles C4'-P-C4' energy: -126.106
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: -24.535
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: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -776.348583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.348583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.348583 (E_RNA)
where:
Base-Base interactions energy: -376.374
where: short stacking energy: -195.922
Base-Backbone interact. energy: 2.417
local terms energy: -402.391651
where:
bonds (distance) C4'-P energy: -131.863
bonds (distance) P-C4' energy: -124.348
flat angles C4'-P-C4' energy: -108.233
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: 17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2726.854091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.854091 (E_RNA)
where:
Base-Base interactions energy: -1857.631
where: short stacking energy: -788.956
Base-Backbone interact. energy: -0.393
local terms energy: -868.830732
where:
bonds (distance) C4'-P energy: -173.839
bonds (distance) P-C4' energy: -169.489
flat angles C4'-P-C4' energy: -187.698
flat angles P-C4'-P energy: -107.980
tors. eta vs tors. theta energy: -229.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2634.198804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.198804 (E_RNA)
where:
Base-Base interactions energy: -1837.775
where: short stacking energy: -753.279
Base-Backbone interact. energy: -5.428
local terms energy: -790.996080
where:
bonds (distance) C4'-P energy: -160.827
bonds (distance) P-C4' energy: -153.942
flat angles C4'-P-C4' energy: -159.593
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -217.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2467.485119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.485119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.485119 (E_RNA)
where:
Base-Base interactions energy: -1655.885
where: short stacking energy: -740.558
Base-Backbone interact. energy: 1.292
local terms energy: -812.891910
where:
bonds (distance) C4'-P energy: -137.255
bonds (distance) P-C4' energy: -159.951
flat angles C4'-P-C4' energy: -165.043
flat angles P-C4'-P energy: -129.516
tors. eta vs tors. theta energy: -221.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2456.809828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.809828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.809828 (E_RNA)
where:
Base-Base interactions energy: -1668.061
where: short stacking energy: -711.151
Base-Backbone interact. energy: -0.111
local terms energy: -788.637735
where:
bonds (distance) C4'-P energy: -150.386
bonds (distance) P-C4' energy: -158.389
flat angles C4'-P-C4' energy: -173.279
flat angles P-C4'-P energy: -116.485
tors. eta vs tors. theta energy: -190.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2256.802339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.802339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.802339 (E_RNA)
where:
Base-Base interactions energy: -1518.467
where: short stacking energy: -653.179
Base-Backbone interact. energy: -3.525
local terms energy: -734.810506
where:
bonds (distance) C4'-P energy: -142.658
bonds (distance) P-C4' energy: -142.029
flat angles C4'-P-C4' energy: -158.987
flat angles P-C4'-P energy: -107.045
tors. eta vs tors. theta energy: -184.092
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: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1967.942106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.942106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.942106 (E_RNA)
where:
Base-Base interactions energy: -1294.895
where: short stacking energy: -577.199
Base-Backbone interact. energy: -3.161
local terms energy: -669.886257
where:
bonds (distance) C4'-P energy: -108.949
bonds (distance) P-C4' energy: -149.822
flat angles C4'-P-C4' energy: -146.181
flat angles P-C4'-P energy: -112.109
tors. eta vs tors. theta energy: -152.824
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: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1707.126482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.126482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.126482 (E_RNA)
where:
Base-Base interactions energy: -1105.044
where: short stacking energy: -492.278
Base-Backbone interact. energy: 0.761
local terms energy: -602.843463
where:
bonds (distance) C4'-P energy: -130.894
bonds (distance) P-C4' energy: -136.664
flat angles C4'-P-C4' energy: -143.015
flat angles P-C4'-P energy: -86.994
tors. eta vs tors. theta energy: -105.276
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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1352.946844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.946844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.946844 (E_RNA)
where:
Base-Base interactions energy: -796.505
where: short stacking energy: -366.313
Base-Backbone interact. energy: 2.486
local terms energy: -558.928212
where:
bonds (distance) C4'-P energy: -124.279
bonds (distance) P-C4' energy: -161.912
flat angles C4'-P-C4' energy: -117.849
flat angles P-C4'-P energy: -99.895
tors. eta vs tors. theta energy: -54.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1001.133397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.133397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.133397 (E_RNA)
where:
Base-Base interactions energy: -530.529
where: short stacking energy: -292.143
Base-Backbone interact. energy: -3.328
local terms energy: -467.276513
where:
bonds (distance) C4'-P energy: -120.364
bonds (distance) P-C4' energy: -128.395
flat angles C4'-P-C4' energy: -123.685
flat angles P-C4'-P energy: -78.424
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -739.900206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.900206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.900206 (E_RNA)
where:
Base-Base interactions energy: -327.608
where: short stacking energy: -203.968
Base-Backbone interact. energy: 4.406
local terms energy: -416.697325
where:
bonds (distance) C4'-P energy: -118.886
bonds (distance) P-C4' energy: -134.785
flat angles C4'-P-C4' energy: -94.610
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: 8.389
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: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2759.116736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.116736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.116736 (E_RNA)
where:
Base-Base interactions energy: -1908.674
where: short stacking energy: -801.578
Base-Backbone interact. energy: -3.003
local terms energy: -847.439721
where:
bonds (distance) C4'-P energy: -167.367
bonds (distance) P-C4' energy: -149.671
flat angles C4'-P-C4' energy: -185.357
flat angles P-C4'-P energy: -119.690
tors. eta vs tors. theta energy: -225.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2623.846426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.846426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.846426 (E_RNA)
where:
Base-Base interactions energy: -1805.586
where: short stacking energy: -748.652
Base-Backbone interact. energy: -0.023
local terms energy: -818.237515
where:
bonds (distance) C4'-P energy: -147.606
bonds (distance) P-C4' energy: -169.556
flat angles C4'-P-C4' energy: -176.800
flat angles P-C4'-P energy: -109.310
tors. eta vs tors. theta energy: -214.966
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: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2462.696475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.696475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.696475 (E_RNA)
where:
Base-Base interactions energy: -1652.331
where: short stacking energy: -736.319
Base-Backbone interact. energy: 0.117
local terms energy: -810.482733
where:
bonds (distance) C4'-P energy: -139.962
bonds (distance) P-C4' energy: -159.890
flat angles C4'-P-C4' energy: -181.819
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -236.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2368.353667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.353667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.353667 (E_RNA)
where:
Base-Base interactions energy: -1612.734
where: short stacking energy: -683.541
Base-Backbone interact. energy: -2.329
local terms energy: -753.290449
where:
bonds (distance) C4'-P energy: -144.339
bonds (distance) P-C4' energy: -147.056
flat angles C4'-P-C4' energy: -168.953
flat angles P-C4'-P energy: -107.185
tors. eta vs tors. theta energy: -185.758
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: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2253.670577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.670577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.670577 (E_RNA)
where:
Base-Base interactions energy: -1519.047
where: short stacking energy: -657.911
Base-Backbone interact. energy: -0.234
local terms energy: -734.388592
where:
bonds (distance) C4'-P energy: -143.173
bonds (distance) P-C4' energy: -150.523
flat angles C4'-P-C4' energy: -159.037
flat angles P-C4'-P energy: -90.470
tors. eta vs tors. theta energy: -191.186
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1978.012897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.012897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.012897 (E_RNA)
where:
Base-Base interactions energy: -1292.630
where: short stacking energy: -546.650
Base-Backbone interact. energy: 2.056
local terms energy: -687.439532
where:
bonds (distance) C4'-P energy: -136.001
bonds (distance) P-C4' energy: -162.225
flat angles C4'-P-C4' energy: -161.087
flat angles P-C4'-P energy: -95.387
tors. eta vs tors. theta energy: -132.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1694.959898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.959898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.959898 (E_RNA)
where:
Base-Base interactions energy: -1100.080
where: short stacking energy: -468.878
Base-Backbone interact. energy: 1.256
local terms energy: -596.136165
where:
bonds (distance) C4'-P energy: -124.642
bonds (distance) P-C4' energy: -126.736
flat angles C4'-P-C4' energy: -156.810
flat angles P-C4'-P energy: -89.534
tors. eta vs tors. theta energy: -98.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1453.527583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.527583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.527583 (E_RNA)
where:
Base-Base interactions energy: -898.821
where: short stacking energy: -429.845
Base-Backbone interact. energy: 6.201
local terms energy: -560.907422
where:
bonds (distance) C4'-P energy: -142.681
bonds (distance) P-C4' energy: -135.776
flat angles C4'-P-C4' energy: -129.022
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -84.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -947.374560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.374560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.374560 (E_RNA)
where:
Base-Base interactions energy: -495.590
where: short stacking energy: -251.194
Base-Backbone interact. energy: 2.466
local terms energy: -454.250751
where:
bonds (distance) C4'-P energy: -134.483
bonds (distance) P-C4' energy: -135.384
flat angles C4'-P-C4' energy: -109.992
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: 3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -777.505973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.505973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.505973 (E_RNA)
where:
Base-Base interactions energy: -360.878
where: short stacking energy: -199.508
Base-Backbone interact. energy: -1.567
local terms energy: -415.069655
where:
bonds (distance) C4'-P energy: -104.065
bonds (distance) P-C4' energy: -154.189
flat angles C4'-P-C4' energy: -122.013
flat angles P-C4'-P energy: -56.023
tors. eta vs tors. theta energy: 21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2713.687798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.687798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.687798 (E_RNA)
where:
Base-Base interactions energy: -1865.312
where: short stacking energy: -791.404
Base-Backbone interact. energy: -0.717
local terms energy: -847.658662
where:
bonds (distance) C4'-P energy: -164.221
bonds (distance) P-C4' energy: -168.866
flat angles C4'-P-C4' energy: -181.809
flat angles P-C4'-P energy: -108.862
tors. eta vs tors. theta energy: -223.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2666.684897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.684897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.684897 (E_RNA)
where:
Base-Base interactions energy: -1838.897
where: short stacking energy: -726.232
Base-Backbone interact. energy: -3.119
local terms energy: -824.668672
where:
bonds (distance) C4'-P energy: -144.514
bonds (distance) P-C4' energy: -169.365
flat angles C4'-P-C4' energy: -172.293
flat angles P-C4'-P energy: -129.101
tors. eta vs tors. theta energy: -209.396
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2486.202731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.202731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.202731 (E_RNA)
where:
Base-Base interactions energy: -1651.838
where: short stacking energy: -744.627
Base-Backbone interact. energy: -1.865
local terms energy: -832.499302
where:
bonds (distance) C4'-P energy: -149.680
bonds (distance) P-C4' energy: -164.606
flat angles C4'-P-C4' energy: -188.977
flat angles P-C4'-P energy: -103.650
tors. eta vs tors. theta energy: -225.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2392.802776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.802776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.802776 (E_RNA)
where:
Base-Base interactions energy: -1609.000
where: short stacking energy: -661.096
Base-Backbone interact. energy: -1.122
local terms energy: -782.680685
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -161.150
flat angles C4'-P-C4' energy: -167.667
flat angles P-C4'-P energy: -103.583
tors. eta vs tors. theta energy: -202.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2255.579264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.579264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.579264 (E_RNA)
where:
Base-Base interactions energy: -1535.635
where: short stacking energy: -675.318
Base-Backbone interact. energy: 0.314
local terms energy: -720.257713
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -151.775
flat angles C4'-P-C4' energy: -150.101
flat angles P-C4'-P energy: -101.227
tors. eta vs tors. theta energy: -184.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1915.812603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.812603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.812603 (E_RNA)
where:
Base-Base interactions energy: -1275.043
where: short stacking energy: -572.731
Base-Backbone interact. energy: 0.780
local terms energy: -641.549383
where:
bonds (distance) C4'-P energy: -139.334
bonds (distance) P-C4' energy: -112.780
flat angles C4'-P-C4' energy: -148.728
flat angles P-C4'-P energy: -99.394
tors. eta vs tors. theta energy: -141.314
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: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1701.643922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.643922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.643922 (E_RNA)
where:
Base-Base interactions energy: -1088.940
where: short stacking energy: -482.591
Base-Backbone interact. energy: -4.900
local terms energy: -607.804276
where:
bonds (distance) C4'-P energy: -122.718
bonds (distance) P-C4' energy: -129.978
flat angles C4'-P-C4' energy: -146.833
flat angles P-C4'-P energy: -92.807
tors. eta vs tors. theta energy: -115.468
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: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1501.454437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.454437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.454437 (E_RNA)
where:
Base-Base interactions energy: -953.400
where: short stacking energy: -431.519
Base-Backbone interact. energy: -3.788
local terms energy: -544.266939
where:
bonds (distance) C4'-P energy: -126.500
bonds (distance) P-C4' energy: -121.573
flat angles C4'-P-C4' energy: -127.775
flat angles P-C4'-P energy: -100.104
tors. eta vs tors. theta energy: -68.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -950.850488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.850488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.850488 (E_RNA)
where:
Base-Base interactions energy: -479.916
where: short stacking energy: -230.500
Base-Backbone interact. energy: -2.857
local terms energy: -468.076768
where:
bonds (distance) C4'-P energy: -127.419
bonds (distance) P-C4' energy: -145.540
flat angles C4'-P-C4' energy: -106.630
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -16.412
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: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -746.683971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.683971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.683971 (E_RNA)
where:
Base-Base interactions energy: -332.099
where: short stacking energy: -197.087
Base-Backbone interact. energy: 6.545
local terms energy: -421.130629
where:
bonds (distance) C4'-P energy: -119.155
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -125.473
flat angles P-C4'-P energy: -64.832
tors. eta vs tors. theta energy: 24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2727.411707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.411707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.411707 (E_RNA)
where:
Base-Base interactions energy: -1871.107
where: short stacking energy: -815.485
Base-Backbone interact. energy: -1.446
local terms energy: -854.858039
where:
bonds (distance) C4'-P energy: -162.349
bonds (distance) P-C4' energy: -156.734
flat angles C4'-P-C4' energy: -175.678
flat angles P-C4'-P energy: -121.616
tors. eta vs tors. theta energy: -238.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2710.988591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.988591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.988591 (E_RNA)
where:
Base-Base interactions energy: -1879.184
where: short stacking energy: -737.219
Base-Backbone interact. energy: 1.053
local terms energy: -832.857170
where:
bonds (distance) C4'-P energy: -151.534
bonds (distance) P-C4' energy: -157.580
flat angles C4'-P-C4' energy: -174.653
flat angles P-C4'-P energy: -134.948
tors. eta vs tors. theta energy: -214.141
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: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2485.317132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.317132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.317132 (E_RNA)
where:
Base-Base interactions energy: -1626.129
where: short stacking energy: -723.360
Base-Backbone interact. energy: -2.470
local terms energy: -856.717676
where:
bonds (distance) C4'-P energy: -162.454
bonds (distance) P-C4' energy: -164.807
flat angles C4'-P-C4' energy: -177.965
flat angles P-C4'-P energy: -126.134
tors. eta vs tors. theta energy: -225.358
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: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2442.131612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.131612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.131612 (E_RNA)
where:
Base-Base interactions energy: -1648.528
where: short stacking energy: -679.835
Base-Backbone interact. energy: 1.269
local terms energy: -794.873148
where:
bonds (distance) C4'-P energy: -154.713
bonds (distance) P-C4' energy: -163.595
flat angles C4'-P-C4' energy: -164.182
flat angles P-C4'-P energy: -110.249
tors. eta vs tors. theta energy: -202.134
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: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2261.986786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.986786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.986786 (E_RNA)
where:
Base-Base interactions energy: -1526.871
where: short stacking energy: -636.155
Base-Backbone interact. energy: -5.987
local terms energy: -729.129516
where:
bonds (distance) C4'-P energy: -148.437
bonds (distance) P-C4' energy: -160.969
flat angles C4'-P-C4' energy: -162.918
flat angles P-C4'-P energy: -79.921
tors. eta vs tors. theta energy: -176.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1942.290090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.290090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.290090 (E_RNA)
where:
Base-Base interactions energy: -1294.875
where: short stacking energy: -557.655
Base-Backbone interact. energy: -3.598
local terms energy: -643.817211
where:
bonds (distance) C4'-P energy: -132.262
bonds (distance) P-C4' energy: -146.248
flat angles C4'-P-C4' energy: -144.995
flat angles P-C4'-P energy: -97.052
tors. eta vs tors. theta energy: -123.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1686.984015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.984015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.984015 (E_RNA)
where:
Base-Base interactions energy: -1059.783
where: short stacking energy: -475.143
Base-Backbone interact. energy: -1.981
local terms energy: -625.219966
where:
bonds (distance) C4'-P energy: -123.252
bonds (distance) P-C4' energy: -145.524
flat angles C4'-P-C4' energy: -152.891
flat angles P-C4'-P energy: -108.407
tors. eta vs tors. theta energy: -95.148
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: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1506.466366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.466366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.466366 (E_RNA)
where:
Base-Base interactions energy: -933.392
where: short stacking energy: -440.269
Base-Backbone interact. energy: -1.315
local terms energy: -571.759646
where:
bonds (distance) C4'-P energy: -125.719
bonds (distance) P-C4' energy: -147.235
flat angles C4'-P-C4' energy: -145.221
flat angles P-C4'-P energy: -64.338
tors. eta vs tors. theta energy: -89.246
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: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -953.124717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.124717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.124717 (E_RNA)
where:
Base-Base interactions energy: -470.627
where: short stacking energy: -251.131
Base-Backbone interact. energy: -0.902
local terms energy: -481.595921
where:
bonds (distance) C4'-P energy: -119.474
bonds (distance) P-C4' energy: -139.023
flat angles C4'-P-C4' energy: -132.830
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -680.580043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.580043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.580043 (E_RNA)
where:
Base-Base interactions energy: -259.417
where: short stacking energy: -170.314
Base-Backbone interact. energy: -1.395
local terms energy: -419.768148
where:
bonds (distance) C4'-P energy: -135.364
bonds (distance) P-C4' energy: -126.205
flat angles C4'-P-C4' energy: -128.103
flat angles P-C4'-P energy: -72.248
tors. eta vs tors. theta energy: 42.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2729.618791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.618791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.618791 (E_RNA)
where:
Base-Base interactions energy: -1885.453
where: short stacking energy: -801.967
Base-Backbone interact. energy: -3.796
local terms energy: -840.369745
where:
bonds (distance) C4'-P energy: -152.578
bonds (distance) P-C4' energy: -160.858
flat angles C4'-P-C4' energy: -186.248
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -234.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2662.141876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.141876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.141876 (E_RNA)
where:
Base-Base interactions energy: -1864.523
where: short stacking energy: -726.986
Base-Backbone interact. energy: -6.780
local terms energy: -790.838416
where:
bonds (distance) C4'-P energy: -145.258
bonds (distance) P-C4' energy: -157.198
flat angles C4'-P-C4' energy: -172.632
flat angles P-C4'-P energy: -112.069
tors. eta vs tors. theta energy: -203.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2476.878213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.878213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.878213 (E_RNA)
where:
Base-Base interactions energy: -1648.730
where: short stacking energy: -743.932
Base-Backbone interact. energy: -1.491
local terms energy: -826.657198
where:
bonds (distance) C4'-P energy: -149.154
bonds (distance) P-C4' energy: -161.140
flat angles C4'-P-C4' energy: -169.708
flat angles P-C4'-P energy: -121.061
tors. eta vs tors. theta energy: -225.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2444.676278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.676278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.676278 (E_RNA)
where:
Base-Base interactions energy: -1667.538
where: short stacking energy: -711.502
Base-Backbone interact. energy: -0.808
local terms energy: -776.330496
where:
bonds (distance) C4'-P energy: -148.700
bonds (distance) P-C4' energy: -155.159
flat angles C4'-P-C4' energy: -159.315
flat angles P-C4'-P energy: -107.812
tors. eta vs tors. theta energy: -205.344
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: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2260.198327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.198327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.198327 (E_RNA)
where:
Base-Base interactions energy: -1556.538
where: short stacking energy: -656.710
Base-Backbone interact. energy: -3.616
local terms energy: -700.044352
where:
bonds (distance) C4'-P energy: -127.824
bonds (distance) P-C4' energy: -155.964
flat angles C4'-P-C4' energy: -145.022
flat angles P-C4'-P energy: -86.592
tors. eta vs tors. theta energy: -184.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1900.433144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.433144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.433144 (E_RNA)
where:
Base-Base interactions energy: -1203.299
where: short stacking energy: -540.167
Base-Backbone interact. energy: -1.056
local terms energy: -696.077700
where:
bonds (distance) C4'-P energy: -148.187
bonds (distance) P-C4' energy: -150.662
flat angles C4'-P-C4' energy: -161.484
flat angles P-C4'-P energy: -89.061
tors. eta vs tors. theta energy: -146.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1647.447335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.447335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.447335 (E_RNA)
where:
Base-Base interactions energy: -1026.905
where: short stacking energy: -465.602
Base-Backbone interact. energy: -0.630
local terms energy: -619.912858
where:
bonds (distance) C4'-P energy: -132.384
bonds (distance) P-C4' energy: -151.822
flat angles C4'-P-C4' energy: -134.178
flat angles P-C4'-P energy: -107.364
tors. eta vs tors. theta energy: -94.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1420.891495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.891495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.891495 (E_RNA)
where:
Base-Base interactions energy: -877.987
where: short stacking energy: -424.923
Base-Backbone interact. energy: 2.756
local terms energy: -545.660175
where:
bonds (distance) C4'-P energy: -138.399
bonds (distance) P-C4' energy: -113.414
flat angles C4'-P-C4' energy: -140.491
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -66.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -913.945966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.945966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.945966 (E_RNA)
where:
Base-Base interactions energy: -456.077
where: short stacking energy: -249.440
Base-Backbone interact. energy: -3.836
local terms energy: -454.032952
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -149.470
flat angles C4'-P-C4' energy: -140.722
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: 8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -667.835244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.835244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.835244 (E_RNA)
where:
Base-Base interactions energy: -230.596
where: short stacking energy: -189.889
Base-Backbone interact. energy: 2.394
local terms energy: -439.633146
where:
bonds (distance) C4'-P energy: -120.514
bonds (distance) P-C4' energy: -137.930
flat angles C4'-P-C4' energy: -119.378
flat angles P-C4'-P energy: -79.754
tors. eta vs tors. theta energy: 17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2706.212261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.212261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.212261 (E_RNA)
where:
Base-Base interactions energy: -1848.890
where: short stacking energy: -753.374
Base-Backbone interact. energy: -2.474
local terms energy: -854.848248
where:
bonds (distance) C4'-P energy: -160.863
bonds (distance) P-C4' energy: -172.739
flat angles C4'-P-C4' energy: -179.540
flat angles P-C4'-P energy: -122.789
tors. eta vs tors. theta energy: -218.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2682.567817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.567817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.567817 (E_RNA)
where:
Base-Base interactions energy: -1871.131
where: short stacking energy: -715.603
Base-Backbone interact. energy: -3.333
local terms energy: -808.103812
where:
bonds (distance) C4'-P energy: -150.864
bonds (distance) P-C4' energy: -163.995
flat angles C4'-P-C4' energy: -181.507
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -203.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2472.070847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.070847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.070847 (E_RNA)
where:
Base-Base interactions energy: -1662.715
where: short stacking energy: -706.586
Base-Backbone interact. energy: -2.247
local terms energy: -807.108514
where:
bonds (distance) C4'-P energy: -142.194
bonds (distance) P-C4' energy: -158.272
flat angles C4'-P-C4' energy: -177.042
flat angles P-C4'-P energy: -115.145
tors. eta vs tors. theta energy: -214.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2404.839375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.839375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.839375 (E_RNA)
where:
Base-Base interactions energy: -1619.659
where: short stacking energy: -684.210
Base-Backbone interact. energy: -3.272
local terms energy: -781.908051
where:
bonds (distance) C4'-P energy: -158.167
bonds (distance) P-C4' energy: -144.799
flat angles C4'-P-C4' energy: -175.743
flat angles P-C4'-P energy: -114.454
tors. eta vs tors. theta energy: -188.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2190.147982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.147982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.147982 (E_RNA)
where:
Base-Base interactions energy: -1467.490
where: short stacking energy: -641.407
Base-Backbone interact. energy: -5.096
local terms energy: -717.561916
where:
bonds (distance) C4'-P energy: -129.922
bonds (distance) P-C4' energy: -145.979
flat angles C4'-P-C4' energy: -148.822
flat angles P-C4'-P energy: -99.319
tors. eta vs tors. theta energy: -193.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1864.625818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.625818 (E_RNA)
where:
Base-Base interactions energy: -1202.407
where: short stacking energy: -550.470
Base-Backbone interact. energy: 1.544
local terms energy: -663.763525
where:
bonds (distance) C4'-P energy: -130.520
bonds (distance) P-C4' energy: -139.267
flat angles C4'-P-C4' energy: -164.688
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -143.166
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: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1704.363392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.363392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.363392 (E_RNA)
where:
Base-Base interactions energy: -1070.211
where: short stacking energy: -480.031
Base-Backbone interact. energy: -1.221
local terms energy: -632.931957
where:
bonds (distance) C4'-P energy: -125.010
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -167.932
flat angles P-C4'-P energy: -90.392
tors. eta vs tors. theta energy: -107.300
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: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1439.952434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.952434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.952434 (E_RNA)
where:
Base-Base interactions energy: -852.406
where: short stacking energy: -386.189
Base-Backbone interact. energy: -0.215
local terms energy: -587.331826
where:
bonds (distance) C4'-P energy: -133.914
bonds (distance) P-C4' energy: -130.980
flat angles C4'-P-C4' energy: -146.933
flat angles P-C4'-P energy: -84.112
tors. eta vs tors. theta energy: -91.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -978.470964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.470964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.470964 (E_RNA)
where:
Base-Base interactions energy: -520.060
where: short stacking energy: -288.260
Base-Backbone interact. energy: 2.752
local terms energy: -461.162308
where:
bonds (distance) C4'-P energy: -121.222
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -120.714
flat angles P-C4'-P energy: -73.984
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -659.624330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.624330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.624330 (E_RNA)
where:
Base-Base interactions energy: -242.843
where: short stacking energy: -154.560
Base-Backbone interact. energy: 0.490
local terms energy: -417.272026
where:
bonds (distance) C4'-P energy: -120.875
bonds (distance) P-C4' energy: -139.026
flat angles C4'-P-C4' energy: -113.381
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: 27.956
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: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2710.349030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.349030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.349030 (E_RNA)
where:
Base-Base interactions energy: -1850.870
where: short stacking energy: -777.833
Base-Backbone interact. energy: -6.103
local terms energy: -853.375573
where:
bonds (distance) C4'-P energy: -161.284
bonds (distance) P-C4' energy: -166.192
flat angles C4'-P-C4' energy: -183.167
flat angles P-C4'-P energy: -116.562
tors. eta vs tors. theta energy: -226.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2700.277346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.277346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.277346 (E_RNA)
where:
Base-Base interactions energy: -1901.967
where: short stacking energy: -767.722
Base-Backbone interact. energy: 1.697
local terms energy: -800.007509
where:
bonds (distance) C4'-P energy: -144.892
bonds (distance) P-C4' energy: -175.646
flat angles C4'-P-C4' energy: -157.214
flat angles P-C4'-P energy: -110.202
tors. eta vs tors. theta energy: -212.053
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: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2468.868165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.868165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.868165 (E_RNA)
where:
Base-Base interactions energy: -1653.250
where: short stacking energy: -714.402
Base-Backbone interact. energy: -1.888
local terms energy: -813.730139
where:
bonds (distance) C4'-P energy: -152.230
bonds (distance) P-C4' energy: -171.846
flat angles C4'-P-C4' energy: -170.068
flat angles P-C4'-P energy: -107.154
tors. eta vs tors. theta energy: -212.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2403.099054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.099054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.099054 (E_RNA)
where:
Base-Base interactions energy: -1623.381
where: short stacking energy: -686.790
Base-Backbone interact. energy: 1.565
local terms energy: -781.283190
where:
bonds (distance) C4'-P energy: -139.244
bonds (distance) P-C4' energy: -150.298
flat angles C4'-P-C4' energy: -176.587
flat angles P-C4'-P energy: -116.882
tors. eta vs tors. theta energy: -198.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2235.340336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.340336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.340336 (E_RNA)
where:
Base-Base interactions energy: -1527.675
where: short stacking energy: -654.997
Base-Backbone interact. energy: -5.059
local terms energy: -702.606929
where:
bonds (distance) C4'-P energy: -142.798
bonds (distance) P-C4' energy: -135.845
flat angles C4'-P-C4' energy: -151.487
flat angles P-C4'-P energy: -89.788
tors. eta vs tors. theta energy: -182.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1875.004657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.004657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.004657 (E_RNA)
where:
Base-Base interactions energy: -1274.868
where: short stacking energy: -549.768
Base-Backbone interact. energy: 2.297
local terms energy: -602.433796
where:
bonds (distance) C4'-P energy: -111.586
bonds (distance) P-C4' energy: -122.083
flat angles C4'-P-C4' energy: -139.017
flat angles P-C4'-P energy: -85.801
tors. eta vs tors. theta energy: -143.946
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: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1715.030296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.030296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.030296 (E_RNA)
where:
Base-Base interactions energy: -1079.728
where: short stacking energy: -468.789
Base-Backbone interact. energy: -0.533
local terms energy: -634.769475
where:
bonds (distance) C4'-P energy: -144.483
bonds (distance) P-C4' energy: -146.021
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -98.080
tors. eta vs tors. theta energy: -105.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1472.884258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.884258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.884258 (E_RNA)
where:
Base-Base interactions energy: -924.700
where: short stacking energy: -411.563
Base-Backbone interact. energy: 0.256
local terms energy: -548.440048
where:
bonds (distance) C4'-P energy: -139.389
bonds (distance) P-C4' energy: -134.541
flat angles C4'-P-C4' energy: -126.679
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -81.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -945.441426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.441426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.441426 (E_RNA)
where:
Base-Base interactions energy: -488.153
where: short stacking energy: -264.924
Base-Backbone interact. energy: -3.611
local terms energy: -453.676967
where:
bonds (distance) C4'-P energy: -100.677
bonds (distance) P-C4' energy: -145.019
flat angles C4'-P-C4' energy: -120.348
flat angles P-C4'-P energy: -67.417
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -737.037963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.037963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.037963 (E_RNA)
where:
Base-Base interactions energy: -346.583
where: short stacking energy: -217.895
Base-Backbone interact. energy: 5.438
local terms energy: -395.893456
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -141.519
flat angles C4'-P-C4' energy: -92.809
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: 9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2738.719104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.719104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.719104 (E_RNA)
where:
Base-Base interactions energy: -1884.892
where: short stacking energy: -791.702
Base-Backbone interact. energy: -0.875
local terms energy: -852.951686
where:
bonds (distance) C4'-P energy: -162.144
bonds (distance) P-C4' energy: -161.934
flat angles C4'-P-C4' energy: -184.937
flat angles P-C4'-P energy: -114.501
tors. eta vs tors. theta energy: -229.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2693.331627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.331627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.331627 (E_RNA)
where:
Base-Base interactions energy: -1877.452
where: short stacking energy: -750.603
Base-Backbone interact. energy: 2.025
local terms energy: -817.904281
where:
bonds (distance) C4'-P energy: -150.132
bonds (distance) P-C4' energy: -155.236
flat angles C4'-P-C4' energy: -184.037
flat angles P-C4'-P energy: -118.146
tors. eta vs tors. theta energy: -210.353
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: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2458.796267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.796267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.796267 (E_RNA)
where:
Base-Base interactions energy: -1635.599
where: short stacking energy: -713.901
Base-Backbone interact. energy: 3.713
local terms energy: -826.910510
where:
bonds (distance) C4'-P energy: -158.534
bonds (distance) P-C4' energy: -153.405
flat angles C4'-P-C4' energy: -181.264
flat angles P-C4'-P energy: -108.742
tors. eta vs tors. theta energy: -224.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2347.765861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.765861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.765861 (E_RNA)
where:
Base-Base interactions energy: -1567.303
where: short stacking energy: -708.164
Base-Backbone interact. energy: 0.255
local terms energy: -780.717768
where:
bonds (distance) C4'-P energy: -149.837
bonds (distance) P-C4' energy: -149.464
flat angles C4'-P-C4' energy: -170.640
flat angles P-C4'-P energy: -104.267
tors. eta vs tors. theta energy: -206.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2234.510313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.510313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.510313 (E_RNA)
where:
Base-Base interactions energy: -1468.822
where: short stacking energy: -640.587
Base-Backbone interact. energy: -5.501
local terms energy: -760.187229
where:
bonds (distance) C4'-P energy: -162.105
bonds (distance) P-C4' energy: -158.568
flat angles C4'-P-C4' energy: -161.670
flat angles P-C4'-P energy: -106.088
tors. eta vs tors. theta energy: -171.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1908.985730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.985730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.985730 (E_RNA)
where:
Base-Base interactions energy: -1235.956
where: short stacking energy: -572.575
Base-Backbone interact. energy: -2.053
local terms energy: -670.977169
where:
bonds (distance) C4'-P energy: -131.793
bonds (distance) P-C4' energy: -138.248
flat angles C4'-P-C4' energy: -161.233
flat angles P-C4'-P energy: -89.002
tors. eta vs tors. theta energy: -150.701
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: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1617.302491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.302491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.302491 (E_RNA)
where:
Base-Base interactions energy: -1014.263
where: short stacking energy: -460.642
Base-Backbone interact. energy: -0.779
local terms energy: -602.260286
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -129.808
flat angles C4'-P-C4' energy: -135.369
flat angles P-C4'-P energy: -94.993
tors. eta vs tors. theta energy: -109.392
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: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1461.040172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.040172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.040172 (E_RNA)
where:
Base-Base interactions energy: -868.092
where: short stacking energy: -402.268
Base-Backbone interact. energy: 1.715
local terms energy: -594.663143
where:
bonds (distance) C4'-P energy: -147.710
bonds (distance) P-C4' energy: -147.517
flat angles C4'-P-C4' energy: -139.310
flat angles P-C4'-P energy: -80.644
tors. eta vs tors. theta energy: -79.482
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -888.124053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.124053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.124053 (E_RNA)
where:
Base-Base interactions energy: -429.364
where: short stacking energy: -281.436
Base-Backbone interact. energy: -1.296
local terms energy: -457.464879
where:
bonds (distance) C4'-P energy: -122.810
bonds (distance) P-C4' energy: -127.961
flat angles C4'-P-C4' energy: -118.300
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -739.303449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.303449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.303449 (E_RNA)
where:
Base-Base interactions energy: -310.344
where: short stacking energy: -198.877
Base-Backbone interact. energy: 11.279
local terms energy: -440.238157
where:
bonds (distance) C4'-P energy: -149.916
bonds (distance) P-C4' energy: -106.641
flat angles C4'-P-C4' energy: -131.388
flat angles P-C4'-P energy: -81.537
tors. eta vs tors. theta energy: 29.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2733.478104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.478104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.478104 (E_RNA)
where:
Base-Base interactions energy: -1906.989
where: short stacking energy: -810.880
Base-Backbone interact. energy: -1.924
local terms energy: -824.564819
where:
bonds (distance) C4'-P energy: -155.222
bonds (distance) P-C4' energy: -158.808
flat angles C4'-P-C4' energy: -170.674
flat angles P-C4'-P energy: -103.176
tors. eta vs tors. theta energy: -236.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2703.326756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.326756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.326756 (E_RNA)
where:
Base-Base interactions energy: -1895.636
where: short stacking energy: -781.438
Base-Backbone interact. energy: 3.571
local terms energy: -811.262231
where:
bonds (distance) C4'-P energy: -155.220
bonds (distance) P-C4' energy: -156.219
flat angles C4'-P-C4' energy: -166.432
flat angles P-C4'-P energy: -111.494
tors. eta vs tors. theta energy: -221.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2471.138450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.138450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.138450 (E_RNA)
where:
Base-Base interactions energy: -1658.182
where: short stacking energy: -739.862
Base-Backbone interact. energy: -4.961
local terms energy: -807.996081
where:
bonds (distance) C4'-P energy: -152.441
bonds (distance) P-C4' energy: -150.604
flat angles C4'-P-C4' energy: -171.668
flat angles P-C4'-P energy: -107.097
tors. eta vs tors. theta energy: -226.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2370.348268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.348268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.348268 (E_RNA)
where:
Base-Base interactions energy: -1584.923
where: short stacking energy: -681.239
Base-Backbone interact. energy: -2.877
local terms energy: -782.548225
where:
bonds (distance) C4'-P energy: -163.245
bonds (distance) P-C4' energy: -156.596
flat angles C4'-P-C4' energy: -161.714
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -187.009
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2211.094256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.094256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.094256 (E_RNA)
where:
Base-Base interactions energy: -1484.418
where: short stacking energy: -664.283
Base-Backbone interact. energy: -3.652
local terms energy: -723.024941
where:
bonds (distance) C4'-P energy: -134.482
bonds (distance) P-C4' energy: -145.659
flat angles C4'-P-C4' energy: -159.897
flat angles P-C4'-P energy: -95.264
tors. eta vs tors. theta energy: -187.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1922.018897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.018897 (E_RNA)
where:
Base-Base interactions energy: -1221.489
where: short stacking energy: -542.586
Base-Backbone interact. energy: -3.436
local terms energy: -697.094101
where:
bonds (distance) C4'-P energy: -133.368
bonds (distance) P-C4' energy: -146.922
flat angles C4'-P-C4' energy: -160.625
flat angles P-C4'-P energy: -116.915
tors. eta vs tors. theta energy: -139.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1650.550765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.550765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.550765 (E_RNA)
where:
Base-Base interactions energy: -1018.261
where: short stacking energy: -460.476
Base-Backbone interact. energy: -2.574
local terms energy: -629.716373
where:
bonds (distance) C4'-P energy: -126.278
bonds (distance) P-C4' energy: -144.344
flat angles C4'-P-C4' energy: -162.975
flat angles P-C4'-P energy: -83.009
tors. eta vs tors. theta energy: -113.110
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1482.002561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.002561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.002561 (E_RNA)
where:
Base-Base interactions energy: -898.369
where: short stacking energy: -429.486
Base-Backbone interact. energy: -0.407
local terms energy: -583.227109
where:
bonds (distance) C4'-P energy: -136.058
bonds (distance) P-C4' energy: -153.445
flat angles C4'-P-C4' energy: -140.106
flat angles P-C4'-P energy: -68.851
tors. eta vs tors. theta energy: -84.768
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: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -767.573561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.573561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.573561 (E_RNA)
where:
Base-Base interactions energy: -342.406
where: short stacking energy: -180.814
Base-Backbone interact. energy: 3.749
local terms energy: -428.916356
where:
bonds (distance) C4'-P energy: -127.263
bonds (distance) P-C4' energy: -146.566
flat angles C4'-P-C4' energy: -99.558
flat angles P-C4'-P energy: -76.202
tors. eta vs tors. theta energy: 20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -832.996633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.996633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.996633 (E_RNA)
where:
Base-Base interactions energy: -394.297
where: short stacking energy: -222.630
Base-Backbone interact. energy: -4.556
local terms energy: -434.143174
where:
bonds (distance) C4'-P energy: -132.253
bonds (distance) P-C4' energy: -136.124
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -60.985
tors. eta vs tors. theta energy: 14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2752.702614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.702614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.702614 (E_RNA)
where:
Base-Base interactions energy: -1897.264
where: short stacking energy: -779.125
Base-Backbone interact. energy: 2.773
local terms energy: -858.211682
where:
bonds (distance) C4'-P energy: -160.081
bonds (distance) P-C4' energy: -160.679
flat angles C4'-P-C4' energy: -188.578
flat angles P-C4'-P energy: -126.831
tors. eta vs tors. theta energy: -222.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2696.860657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.860657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.860657 (E_RNA)
where:
Base-Base interactions energy: -1885.598
where: short stacking energy: -747.808
Base-Backbone interact. energy: -3.150
local terms energy: -808.112209
where:
bonds (distance) C4'-P energy: -149.865
bonds (distance) P-C4' energy: -141.023
flat angles C4'-P-C4' energy: -175.162
flat angles P-C4'-P energy: -124.296
tors. eta vs tors. theta energy: -217.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2420.028898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.028898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.028898 (E_RNA)
where:
Base-Base interactions energy: -1617.624
where: short stacking energy: -724.232
Base-Backbone interact. energy: 4.543
local terms energy: -806.947780
where:
bonds (distance) C4'-P energy: -158.920
bonds (distance) P-C4' energy: -152.330
flat angles C4'-P-C4' energy: -172.022
flat angles P-C4'-P energy: -113.095
tors. eta vs tors. theta energy: -210.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2371.657269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.657269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.657269 (E_RNA)
where:
Base-Base interactions energy: -1613.566
where: short stacking energy: -683.102
Base-Backbone interact. energy: -2.197
local terms energy: -755.894019
where:
bonds (distance) C4'-P energy: -150.048
bonds (distance) P-C4' energy: -148.894
flat angles C4'-P-C4' energy: -165.352
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -199.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2175.835784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.835784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.835784 (E_RNA)
where:
Base-Base interactions energy: -1433.062
where: short stacking energy: -592.986
Base-Backbone interact. energy: -2.085
local terms energy: -740.689586
where:
bonds (distance) C4'-P energy: -154.873
bonds (distance) P-C4' energy: -152.175
flat angles C4'-P-C4' energy: -162.960
flat angles P-C4'-P energy: -105.263
tors. eta vs tors. theta energy: -165.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1995.202706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.202706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.202706 (E_RNA)
where:
Base-Base interactions energy: -1296.173
where: short stacking energy: -555.479
Base-Backbone interact. energy: -2.101
local terms energy: -696.929477
where:
bonds (distance) C4'-P energy: -137.468
bonds (distance) P-C4' energy: -158.513
flat angles C4'-P-C4' energy: -166.029
flat angles P-C4'-P energy: -93.797
tors. eta vs tors. theta energy: -141.124
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: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1631.395700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.395700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.395700 (E_RNA)
where:
Base-Base interactions energy: -1042.290
where: short stacking energy: -464.669
Base-Backbone interact. energy: 0.545
local terms energy: -589.650511
where:
bonds (distance) C4'-P energy: -120.651
bonds (distance) P-C4' energy: -125.139
flat angles C4'-P-C4' energy: -135.685
flat angles P-C4'-P energy: -101.669
tors. eta vs tors. theta energy: -106.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1401.137344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.137344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.137344 (E_RNA)
where:
Base-Base interactions energy: -878.950
where: short stacking energy: -402.695
Base-Backbone interact. energy: -1.959
local terms energy: -520.228682
where:
bonds (distance) C4'-P energy: -127.925
bonds (distance) P-C4' energy: -124.548
flat angles C4'-P-C4' energy: -118.594
flat angles P-C4'-P energy: -81.946
tors. eta vs tors. theta energy: -67.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -899.323370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.323370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.323370 (E_RNA)
where:
Base-Base interactions energy: -442.937
where: short stacking energy: -243.267
Base-Backbone interact. energy: 0.842
local terms energy: -457.228269
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -145.064
flat angles C4'-P-C4' energy: -110.399
flat angles P-C4'-P energy: -77.284
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -825.084317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.084317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.084317 (E_RNA)
where:
Base-Base interactions energy: -401.785
where: short stacking energy: -218.045
Base-Backbone interact. energy: 1.254
local terms energy: -424.553474
where:
bonds (distance) C4'-P energy: -118.179
bonds (distance) P-C4' energy: -125.360
flat angles C4'-P-C4' energy: -110.493
flat angles P-C4'-P energy: -77.905
tors. eta vs tors. theta energy: 7.383
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: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2736.797716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.797716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.797716 (E_RNA)
where:
Base-Base interactions energy: -1899.390
where: short stacking energy: -789.869
Base-Backbone interact. energy: -3.748
local terms energy: -833.659180
where:
bonds (distance) C4'-P energy: -160.994
bonds (distance) P-C4' energy: -149.208
flat angles C4'-P-C4' energy: -185.205
flat angles P-C4'-P energy: -117.743
tors. eta vs tors. theta energy: -220.509
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2707.555622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.555622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.555622 (E_RNA)
where:
Base-Base interactions energy: -1878.686
where: short stacking energy: -744.387
Base-Backbone interact. energy: -0.342
local terms energy: -828.527303
where:
bonds (distance) C4'-P energy: -172.031
bonds (distance) P-C4' energy: -156.632
flat angles C4'-P-C4' energy: -176.051
flat angles P-C4'-P energy: -115.861
tors. eta vs tors. theta energy: -207.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2447.364340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.364340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.364340 (E_RNA)
where:
Base-Base interactions energy: -1620.532
where: short stacking energy: -748.364
Base-Backbone interact. energy: -1.463
local terms energy: -825.368970
where:
bonds (distance) C4'-P energy: -155.354
bonds (distance) P-C4' energy: -164.645
flat angles C4'-P-C4' energy: -167.007
flat angles P-C4'-P energy: -111.617
tors. eta vs tors. theta energy: -226.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2367.131019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.131019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.131019 (E_RNA)
where:
Base-Base interactions energy: -1620.125
where: short stacking energy: -715.405
Base-Backbone interact. energy: -1.684
local terms energy: -745.322253
where:
bonds (distance) C4'-P energy: -141.885
bonds (distance) P-C4' energy: -139.640
flat angles C4'-P-C4' energy: -171.287
flat angles P-C4'-P energy: -92.003
tors. eta vs tors. theta energy: -200.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2169.743168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.743168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.743168 (E_RNA)
where:
Base-Base interactions energy: -1456.827
where: short stacking energy: -649.170
Base-Backbone interact. energy: -0.942
local terms energy: -711.974539
where:
bonds (distance) C4'-P energy: -139.192
bonds (distance) P-C4' energy: -138.934
flat angles C4'-P-C4' energy: -161.997
flat angles P-C4'-P energy: -86.457
tors. eta vs tors. theta energy: -185.395
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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2023.259182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.259182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.259182 (E_RNA)
where:
Base-Base interactions energy: -1360.411
where: short stacking energy: -598.395
Base-Backbone interact. energy: -2.205
local terms energy: -660.643363
where:
bonds (distance) C4'-P energy: -120.240
bonds (distance) P-C4' energy: -147.650
flat angles C4'-P-C4' energy: -134.198
flat angles P-C4'-P energy: -104.966
tors. eta vs tors. theta energy: -153.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1597.260344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.260344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.260344 (E_RNA)
where:
Base-Base interactions energy: -1016.845
where: short stacking energy: -454.305
Base-Backbone interact. energy: -3.206
local terms energy: -577.209125
where:
bonds (distance) C4'-P energy: -130.182
bonds (distance) P-C4' energy: -131.583
flat angles C4'-P-C4' energy: -143.402
flat angles P-C4'-P energy: -86.788
tors. eta vs tors. theta energy: -85.254
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: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1425.222921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.222921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.222921 (E_RNA)
where:
Base-Base interactions energy: -883.471
where: short stacking energy: -389.117
Base-Backbone interact. energy: -1.123
local terms energy: -540.629238
where:
bonds (distance) C4'-P energy: -118.672
bonds (distance) P-C4' energy: -155.727
flat angles C4'-P-C4' energy: -123.602
flat angles P-C4'-P energy: -63.397
tors. eta vs tors. theta energy: -79.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -946.885562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.885562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.885562 (E_RNA)
where:
Base-Base interactions energy: -456.501
where: short stacking energy: -269.345
Base-Backbone interact. energy: -0.862
local terms energy: -489.522579
where:
bonds (distance) C4'-P energy: -150.653
bonds (distance) P-C4' energy: -134.015
flat angles C4'-P-C4' energy: -140.096
flat angles P-C4'-P energy: -53.052
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -753.680254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.680254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.680254 (E_RNA)
where:
Base-Base interactions energy: -368.474
where: short stacking energy: -213.572
Base-Backbone interact. energy: 1.277
local terms energy: -386.482911
where:
bonds (distance) C4'-P energy: -139.588
bonds (distance) P-C4' energy: -113.752
flat angles C4'-P-C4' energy: -112.212
flat angles P-C4'-P energy: -54.277
tors. eta vs tors. theta energy: 33.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2749.060447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.060447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.060447 (E_RNA)
where:
Base-Base interactions energy: -1896.449
where: short stacking energy: -770.116
Base-Backbone interact. energy: -0.028
local terms energy: -852.583879
where:
bonds (distance) C4'-P energy: -174.968
bonds (distance) P-C4' energy: -164.962
flat angles C4'-P-C4' energy: -180.752
flat angles P-C4'-P energy: -117.129
tors. eta vs tors. theta energy: -214.774
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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2710.431597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.431597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.431597 (E_RNA)
where:
Base-Base interactions energy: -1877.384
where: short stacking energy: -750.865
Base-Backbone interact. energy: -9.076
local terms energy: -823.971438
where:
bonds (distance) C4'-P energy: -157.426
bonds (distance) P-C4' energy: -167.306
flat angles C4'-P-C4' energy: -180.182
flat angles P-C4'-P energy: -109.958
tors. eta vs tors. theta energy: -209.098
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: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2454.424927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.424927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.424927 (E_RNA)
where:
Base-Base interactions energy: -1672.260
where: short stacking energy: -737.612
Base-Backbone interact. energy: -3.003
local terms energy: -779.161639
where:
bonds (distance) C4'-P energy: -152.968
bonds (distance) P-C4' energy: -145.574
flat angles C4'-P-C4' energy: -173.094
flat angles P-C4'-P energy: -89.593
tors. eta vs tors. theta energy: -217.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2355.348960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.348960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.348960 (E_RNA)
where:
Base-Base interactions energy: -1600.081
where: short stacking energy: -666.460
Base-Backbone interact. energy: -1.796
local terms energy: -753.471734
where:
bonds (distance) C4'-P energy: -149.882
bonds (distance) P-C4' energy: -154.130
flat angles C4'-P-C4' energy: -157.633
flat angles P-C4'-P energy: -93.973
tors. eta vs tors. theta energy: -197.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2198.067979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.067979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.067979 (E_RNA)
where:
Base-Base interactions energy: -1475.829
where: short stacking energy: -650.561
Base-Backbone interact. energy: -0.061
local terms energy: -722.178485
where:
bonds (distance) C4'-P energy: -157.738
bonds (distance) P-C4' energy: -141.215
flat angles C4'-P-C4' energy: -153.921
flat angles P-C4'-P energy: -87.805
tors. eta vs tors. theta energy: -181.500
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: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2034.579372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.579372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.579372 (E_RNA)
where:
Base-Base interactions energy: -1340.502
where: short stacking energy: -571.928
Base-Backbone interact. energy: -3.260
local terms energy: -690.817107
where:
bonds (distance) C4'-P energy: -147.918
bonds (distance) P-C4' energy: -148.789
flat angles C4'-P-C4' energy: -150.539
flat angles P-C4'-P energy: -76.486
tors. eta vs tors. theta energy: -167.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1521.949803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.949803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.949803 (E_RNA)
where:
Base-Base interactions energy: -911.297
where: short stacking energy: -430.677
Base-Backbone interact. energy: 0.512
local terms energy: -611.164312
where:
bonds (distance) C4'-P energy: -149.141
bonds (distance) P-C4' energy: -149.655
flat angles C4'-P-C4' energy: -131.544
flat angles P-C4'-P energy: -95.332
tors. eta vs tors. theta energy: -85.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1470.669767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.669767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.669767 (E_RNA)
where:
Base-Base interactions energy: -919.365
where: short stacking energy: -431.665
Base-Backbone interact. energy: 5.783
local terms energy: -557.088085
where:
bonds (distance) C4'-P energy: -128.582
bonds (distance) P-C4' energy: -144.336
flat angles C4'-P-C4' energy: -133.254
flat angles P-C4'-P energy: -69.322
tors. eta vs tors. theta energy: -81.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -976.671457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.671457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.671457 (E_RNA)
where:
Base-Base interactions energy: -489.730
where: short stacking energy: -277.391
Base-Backbone interact. energy: -0.439
local terms energy: -486.502936
where:
bonds (distance) C4'-P energy: -120.543
bonds (distance) P-C4' energy: -142.195
flat angles C4'-P-C4' energy: -134.175
flat angles P-C4'-P energy: -61.050
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -792.108949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.108949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.108949 (E_RNA)
where:
Base-Base interactions energy: -348.172
where: short stacking energy: -226.825
Base-Backbone interact. energy: 9.580
local terms energy: -453.517605
where:
bonds (distance) C4'-P energy: -119.880
bonds (distance) P-C4' energy: -144.188
flat angles C4'-P-C4' energy: -135.673
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -6.136
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: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2765.321204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.321204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.321204 (E_RNA)
where:
Base-Base interactions energy: -1925.211
where: short stacking energy: -766.671
Base-Backbone interact. energy: -1.429
local terms energy: -838.681646
where:
bonds (distance) C4'-P energy: -149.471
bonds (distance) P-C4' energy: -167.413
flat angles C4'-P-C4' energy: -168.433
flat angles P-C4'-P energy: -120.743
tors. eta vs tors. theta energy: -232.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2674.072426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.072426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.072426 (E_RNA)
where:
Base-Base interactions energy: -1840.984
where: short stacking energy: -767.974
Base-Backbone interact. energy: -3.160
local terms energy: -829.928842
where:
bonds (distance) C4'-P energy: -149.134
bonds (distance) P-C4' energy: -169.168
flat angles C4'-P-C4' energy: -185.866
flat angles P-C4'-P energy: -118.525
tors. eta vs tors. theta energy: -207.236
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2391.088262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.088262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.088262 (E_RNA)
where:
Base-Base interactions energy: -1630.030
where: short stacking energy: -707.436
Base-Backbone interact. energy: -0.669
local terms energy: -760.388726
where:
bonds (distance) C4'-P energy: -140.089
bonds (distance) P-C4' energy: -155.859
flat angles C4'-P-C4' energy: -150.625
flat angles P-C4'-P energy: -115.114
tors. eta vs tors. theta energy: -198.702
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: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2372.085602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.085602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.085602 (E_RNA)
where:
Base-Base interactions energy: -1579.024
where: short stacking energy: -706.241
Base-Backbone interact. energy: -0.224
local terms energy: -792.837414
where:
bonds (distance) C4'-P energy: -142.083
bonds (distance) P-C4' energy: -162.347
flat angles C4'-P-C4' energy: -166.052
flat angles P-C4'-P energy: -112.914
tors. eta vs tors. theta energy: -209.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2181.740782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.740782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.740782 (E_RNA)
where:
Base-Base interactions energy: -1480.049
where: short stacking energy: -617.659
Base-Backbone interact. energy: 4.335
local terms energy: -706.026537
where:
bonds (distance) C4'-P energy: -132.977
bonds (distance) P-C4' energy: -140.427
flat angles C4'-P-C4' energy: -167.322
flat angles P-C4'-P energy: -100.372
tors. eta vs tors. theta energy: -164.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2001.461172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.461172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.461172 (E_RNA)
where:
Base-Base interactions energy: -1340.729
where: short stacking energy: -555.643
Base-Backbone interact. energy: -3.566
local terms energy: -657.166736
where:
bonds (distance) C4'-P energy: -149.538
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -157.884
flat angles P-C4'-P energy: -93.451
tors. eta vs tors. theta energy: -140.345
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: 250
Temperature: 1.200000
Total energy: -1519.968363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.968363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.968363 (E_RNA)
where:
Base-Base interactions energy: -918.911
where: short stacking energy: -404.747
Base-Backbone interact. energy: 2.655
local terms energy: -603.712185
where:
bonds (distance) C4'-P energy: -151.204
bonds (distance) P-C4' energy: -167.135
flat angles C4'-P-C4' energy: -141.265
flat angles P-C4'-P energy: -69.909
tors. eta vs tors. theta energy: -74.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1422.234541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.234541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.234541 (E_RNA)
where:
Base-Base interactions energy: -855.785
where: short stacking energy: -422.551
Base-Backbone interact. energy: -1.540
local terms energy: -564.909846
where:
bonds (distance) C4'-P energy: -138.348
bonds (distance) P-C4' energy: -129.392
flat angles C4'-P-C4' energy: -127.170
flat angles P-C4'-P energy: -89.091
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1036.643681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.643681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.643681 (E_RNA)
where:
Base-Base interactions energy: -554.747
where: short stacking energy: -277.058
Base-Backbone interact. energy: 3.539
local terms energy: -485.435451
where:
bonds (distance) C4'-P energy: -117.048
bonds (distance) P-C4' energy: -145.969
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -93.128
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -850.222265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.222265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.222265 (E_RNA)
where:
Base-Base interactions energy: -479.523
where: short stacking energy: -268.191
Base-Backbone interact. energy: 0.266
local terms energy: -370.965299
where:
bonds (distance) C4'-P energy: -106.391
bonds (distance) P-C4' energy: -101.988
flat angles C4'-P-C4' energy: -108.177
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2764.335738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.335738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.335738 (E_RNA)
where:
Base-Base interactions energy: -1912.063
where: short stacking energy: -774.410
Base-Backbone interact. energy: -2.496
local terms energy: -849.777009
where:
bonds (distance) C4'-P energy: -160.880
bonds (distance) P-C4' energy: -148.870
flat angles C4'-P-C4' energy: -198.545
flat angles P-C4'-P energy: -124.151
tors. eta vs tors. theta energy: -217.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2653.375597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.375597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.375597 (E_RNA)
where:
Base-Base interactions energy: -1831.894
where: short stacking energy: -760.827
Base-Backbone interact. energy: -5.097
local terms energy: -816.384083
where:
bonds (distance) C4'-P energy: -155.471
bonds (distance) P-C4' energy: -155.598
flat angles C4'-P-C4' energy: -172.541
flat angles P-C4'-P energy: -114.061
tors. eta vs tors. theta energy: -218.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2408.827241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.827241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.827241 (E_RNA)
where:
Base-Base interactions energy: -1664.244
where: short stacking energy: -698.141
Base-Backbone interact. energy: -1.230
local terms energy: -743.352904
where:
bonds (distance) C4'-P energy: -150.354
bonds (distance) P-C4' energy: -149.909
flat angles C4'-P-C4' energy: -154.678
flat angles P-C4'-P energy: -94.467
tors. eta vs tors. theta energy: -193.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2338.612545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.612545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.612545 (E_RNA)
where:
Base-Base interactions energy: -1558.010
where: short stacking energy: -694.989
Base-Backbone interact. energy: -2.596
local terms energy: -778.007010
where:
bonds (distance) C4'-P energy: -145.753
bonds (distance) P-C4' energy: -148.546
flat angles C4'-P-C4' energy: -162.816
flat angles P-C4'-P energy: -116.961
tors. eta vs tors. theta energy: -203.931
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: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2157.014784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.014784 (E_RNA)
where:
Base-Base interactions energy: -1459.727
where: short stacking energy: -634.998
Base-Backbone interact. energy: -2.497
local terms energy: -694.791538
where:
bonds (distance) C4'-P energy: -130.211
bonds (distance) P-C4' energy: -145.500
flat angles C4'-P-C4' energy: -159.645
flat angles P-C4'-P energy: -96.762
tors. eta vs tors. theta energy: -162.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2000.619984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.619984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.619984 (E_RNA)
where:
Base-Base interactions energy: -1322.997
where: short stacking energy: -573.283
Base-Backbone interact. energy: 0.533
local terms energy: -678.156616
where:
bonds (distance) C4'-P energy: -141.569
bonds (distance) P-C4' energy: -161.298
flat angles C4'-P-C4' energy: -141.551
flat angles P-C4'-P energy: -89.695
tors. eta vs tors. theta energy: -144.043
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1508.292689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.292689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.292689 (E_RNA)
where:
Base-Base interactions energy: -920.359
where: short stacking energy: -419.356
Base-Backbone interact. energy: 1.573
local terms energy: -589.506635
where:
bonds (distance) C4'-P energy: -129.958
bonds (distance) P-C4' energy: -145.434
flat angles C4'-P-C4' energy: -128.828
flat angles P-C4'-P energy: -98.138
tors. eta vs tors. theta energy: -87.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1442.072130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.072130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.072130 (E_RNA)
where:
Base-Base interactions energy: -852.338
where: short stacking energy: -405.625
Base-Backbone interact. energy: 1.553
local terms energy: -591.286528
where:
bonds (distance) C4'-P energy: -138.302
bonds (distance) P-C4' energy: -137.903
flat angles C4'-P-C4' energy: -132.731
flat angles P-C4'-P energy: -93.705
tors. eta vs tors. theta energy: -88.646
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: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1019.994316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.994316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.994316 (E_RNA)
where:
Base-Base interactions energy: -548.570
where: short stacking energy: -299.639
Base-Backbone interact. energy: 3.593
local terms energy: -475.017662
where:
bonds (distance) C4'-P energy: -125.871
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -128.205
flat angles P-C4'-P energy: -61.139
tors. eta vs tors. theta energy: -28.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -866.533814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.533814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.533814 (E_RNA)
where:
Base-Base interactions energy: -440.095
where: short stacking energy: -233.441
Base-Backbone interact. energy: -1.175
local terms energy: -425.263802
where:
bonds (distance) C4'-P energy: -130.227
bonds (distance) P-C4' energy: -139.679
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -63.655
tors. eta vs tors. theta energy: 26.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2774.081545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.081545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.081545 (E_RNA)
where:
Base-Base interactions energy: -1948.505
where: short stacking energy: -803.720
Base-Backbone interact. energy: -0.755
local terms energy: -824.821521
where:
bonds (distance) C4'-P energy: -147.079
bonds (distance) P-C4' energy: -165.382
flat angles C4'-P-C4' energy: -183.572
flat angles P-C4'-P energy: -115.016
tors. eta vs tors. theta energy: -213.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2672.556054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.556054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.556054 (E_RNA)
where:
Base-Base interactions energy: -1829.494
where: short stacking energy: -785.450
Base-Backbone interact. energy: -6.558
local terms energy: -836.504254
where:
bonds (distance) C4'-P energy: -156.670
bonds (distance) P-C4' energy: -150.554
flat angles C4'-P-C4' energy: -177.326
flat angles P-C4'-P energy: -124.874
tors. eta vs tors. theta energy: -227.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2454.727659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.727659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.727659 (E_RNA)
where:
Base-Base interactions energy: -1668.910
where: short stacking energy: -719.650
Base-Backbone interact. energy: 2.216
local terms energy: -788.033464
where:
bonds (distance) C4'-P energy: -158.240
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -169.087
flat angles P-C4'-P energy: -110.700
tors. eta vs tors. theta energy: -196.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2324.501458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.501458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.501458 (E_RNA)
where:
Base-Base interactions energy: -1547.780
where: short stacking energy: -706.394
Base-Backbone interact. energy: -1.536
local terms energy: -775.185461
where:
bonds (distance) C4'-P energy: -136.883
bonds (distance) P-C4' energy: -159.872
flat angles C4'-P-C4' energy: -167.583
flat angles P-C4'-P energy: -109.265
tors. eta vs tors. theta energy: -201.582
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2187.241089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.241089 (E_RNA)
where:
Base-Base interactions energy: -1477.746
where: short stacking energy: -634.407
Base-Backbone interact. energy: 0.857
local terms energy: -710.351862
where:
bonds (distance) C4'-P energy: -154.555
bonds (distance) P-C4' energy: -131.338
flat angles C4'-P-C4' energy: -150.491
flat angles P-C4'-P energy: -94.171
tors. eta vs tors. theta energy: -179.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2045.469555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.469555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.469555 (E_RNA)
where:
Base-Base interactions energy: -1347.613
where: short stacking energy: -601.056
Base-Backbone interact. energy: -1.954
local terms energy: -695.902499
where:
bonds (distance) C4'-P energy: -135.153
bonds (distance) P-C4' energy: -139.072
flat angles C4'-P-C4' energy: -144.475
flat angles P-C4'-P energy: -99.177
tors. eta vs tors. theta energy: -178.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1573.855644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.855644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.855644 (E_RNA)
where:
Base-Base interactions energy: -971.718
where: short stacking energy: -423.688
Base-Backbone interact. energy: -0.717
local terms energy: -601.421328
where:
bonds (distance) C4'-P energy: -135.681
bonds (distance) P-C4' energy: -142.941
flat angles C4'-P-C4' energy: -147.992
flat angles P-C4'-P energy: -94.862
tors. eta vs tors. theta energy: -79.945
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1420.887981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.887981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.887981 (E_RNA)
where:
Base-Base interactions energy: -886.448
where: short stacking energy: -434.646
Base-Backbone interact. energy: 3.163
local terms energy: -537.603042
where:
bonds (distance) C4'-P energy: -129.070
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -122.200
flat angles P-C4'-P energy: -70.209
tors. eta vs tors. theta energy: -68.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1033.575471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.575471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.575471 (E_RNA)
where:
Base-Base interactions energy: -556.214
where: short stacking energy: -315.490
Base-Backbone interact. energy: 2.091
local terms energy: -479.452757
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -135.500
flat angles C4'-P-C4' energy: -115.461
flat angles P-C4'-P energy: -63.488
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -854.590824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.590824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.590824 (E_RNA)
where:
Base-Base interactions energy: -423.696
where: short stacking energy: -213.583
Base-Backbone interact. energy: 1.619
local terms energy: -432.513660
where:
bonds (distance) C4'-P energy: -127.974
bonds (distance) P-C4' energy: -138.131
flat angles C4'-P-C4' energy: -108.470
flat angles P-C4'-P energy: -69.618
tors. eta vs tors. theta energy: 11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2785.801754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.801754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.801754 (E_RNA)
where:
Base-Base interactions energy: -1960.208
where: short stacking energy: -782.423
Base-Backbone interact. energy: -2.282
local terms energy: -823.311829
where:
bonds (distance) C4'-P energy: -152.680
bonds (distance) P-C4' energy: -164.449
flat angles C4'-P-C4' energy: -171.180
flat angles P-C4'-P energy: -117.981
tors. eta vs tors. theta energy: -217.021
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: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2645.859443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.859443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.859443 (E_RNA)
where:
Base-Base interactions energy: -1824.538
where: short stacking energy: -778.377
Base-Backbone interact. energy: -1.503
local terms energy: -819.818902
where:
bonds (distance) C4'-P energy: -167.570
bonds (distance) P-C4' energy: -157.257
flat angles C4'-P-C4' energy: -157.687
flat angles P-C4'-P energy: -118.680
tors. eta vs tors. theta energy: -218.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2468.157012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.157012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.157012 (E_RNA)
where:
Base-Base interactions energy: -1652.070
where: short stacking energy: -723.361
Base-Backbone interact. energy: -2.496
local terms energy: -813.590951
where:
bonds (distance) C4'-P energy: -155.656
bonds (distance) P-C4' energy: -151.579
flat angles C4'-P-C4' energy: -178.075
flat angles P-C4'-P energy: -122.882
tors. eta vs tors. theta energy: -205.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2372.893486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.893486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.893486 (E_RNA)
where:
Base-Base interactions energy: -1603.853
where: short stacking energy: -728.539
Base-Backbone interact. energy: -0.103
local terms energy: -768.937116
where:
bonds (distance) C4'-P energy: -151.673
bonds (distance) P-C4' energy: -152.693
flat angles C4'-P-C4' energy: -163.446
flat angles P-C4'-P energy: -87.671
tors. eta vs tors. theta energy: -213.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2221.719713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.719713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.719713 (E_RNA)
where:
Base-Base interactions energy: -1531.092
where: short stacking energy: -663.510
Base-Backbone interact. energy: 0.070
local terms energy: -690.697324
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -126.426
flat angles C4'-P-C4' energy: -166.700
flat angles P-C4'-P energy: -101.190
tors. eta vs tors. theta energy: -165.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1950.040165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.040165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.040165 (E_RNA)
where:
Base-Base interactions energy: -1266.594
where: short stacking energy: -539.129
Base-Backbone interact. energy: -2.666
local terms energy: -680.780609
where:
bonds (distance) C4'-P energy: -139.507
bonds (distance) P-C4' energy: -140.547
flat angles C4'-P-C4' energy: -166.126
flat angles P-C4'-P energy: -97.226
tors. eta vs tors. theta energy: -137.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1597.215224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.215224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.215224 (E_RNA)
where:
Base-Base interactions energy: -992.862
where: short stacking energy: -483.046
Base-Backbone interact. energy: -2.644
local terms energy: -601.709209
where:
bonds (distance) C4'-P energy: -136.876
bonds (distance) P-C4' energy: -147.345
flat angles C4'-P-C4' energy: -116.590
flat angles P-C4'-P energy: -96.840
tors. eta vs tors. theta energy: -104.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1422.320795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.320795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.320795 (E_RNA)
where:
Base-Base interactions energy: -880.316
where: short stacking energy: -382.098
Base-Backbone interact. energy: -0.871
local terms energy: -541.134012
where:
bonds (distance) C4'-P energy: -139.363
bonds (distance) P-C4' energy: -133.659
flat angles C4'-P-C4' energy: -121.878
flat angles P-C4'-P energy: -96.861
tors. eta vs tors. theta energy: -49.374
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1026.683129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.683129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.683129 (E_RNA)
where:
Base-Base interactions energy: -542.802
where: short stacking energy: -280.206
Base-Backbone interact. energy: -2.372
local terms energy: -481.509447
where:
bonds (distance) C4'-P energy: -131.329
bonds (distance) P-C4' energy: -146.460
flat angles C4'-P-C4' energy: -133.646
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -21.520
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: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -925.758016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.758016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.758016 (E_RNA)
where:
Base-Base interactions energy: -485.672
where: short stacking energy: -251.356
Base-Backbone interact. energy: 6.892
local terms energy: -446.978412
where:
bonds (distance) C4'-P energy: -124.028
bonds (distance) P-C4' energy: -136.938
flat angles C4'-P-C4' energy: -118.699
flat angles P-C4'-P energy: -66.213
tors. eta vs tors. theta energy: -1.100
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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2790.250260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.250260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.250260 (E_RNA)
where:
Base-Base interactions energy: -1940.148
where: short stacking energy: -797.281
Base-Backbone interact. energy: -4.475
local terms energy: -845.626562
where:
bonds (distance) C4'-P energy: -160.277
bonds (distance) P-C4' energy: -160.342
flat angles C4'-P-C4' energy: -192.904
flat angles P-C4'-P energy: -114.307
tors. eta vs tors. theta energy: -217.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2663.797061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.797061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.797061 (E_RNA)
where:
Base-Base interactions energy: -1850.100
where: short stacking energy: -762.634
Base-Backbone interact. energy: -1.660
local terms energy: -812.036840
where:
bonds (distance) C4'-P energy: -148.715
bonds (distance) P-C4' energy: -143.462
flat angles C4'-P-C4' energy: -174.096
flat angles P-C4'-P energy: -129.426
tors. eta vs tors. theta energy: -216.338
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2478.869010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.869010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.869010 (E_RNA)
where:
Base-Base interactions energy: -1694.626
where: short stacking energy: -726.738
Base-Backbone interact. energy: -0.727
local terms energy: -783.515730
where:
bonds (distance) C4'-P energy: -150.756
bonds (distance) P-C4' energy: -145.316
flat angles C4'-P-C4' energy: -164.501
flat angles P-C4'-P energy: -107.699
tors. eta vs tors. theta energy: -215.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2291.824016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.824016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.824016 (E_RNA)
where:
Base-Base interactions energy: -1522.064
where: short stacking energy: -686.832
Base-Backbone interact. energy: -2.724
local terms energy: -767.036744
where:
bonds (distance) C4'-P energy: -155.878
bonds (distance) P-C4' energy: -158.873
flat angles C4'-P-C4' energy: -159.440
flat angles P-C4'-P energy: -109.380
tors. eta vs tors. theta energy: -183.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2189.901827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.901827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.901827 (E_RNA)
where:
Base-Base interactions energy: -1479.313
where: short stacking energy: -638.791
Base-Backbone interact. energy: -4.791
local terms energy: -705.798041
where:
bonds (distance) C4'-P energy: -131.190
bonds (distance) P-C4' energy: -143.333
flat angles C4'-P-C4' energy: -152.557
flat angles P-C4'-P energy: -110.258
tors. eta vs tors. theta energy: -168.460
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: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1946.217077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.217077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.217077 (E_RNA)
where:
Base-Base interactions energy: -1278.140
where: short stacking energy: -549.341
Base-Backbone interact. energy: -5.012
local terms energy: -663.064710
where:
bonds (distance) C4'-P energy: -139.017
bonds (distance) P-C4' energy: -130.648
flat angles C4'-P-C4' energy: -147.122
flat angles P-C4'-P energy: -113.884
tors. eta vs tors. theta energy: -132.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1554.817194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.817194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.817194 (E_RNA)
where:
Base-Base interactions energy: -958.830
where: short stacking energy: -428.316
Base-Backbone interact. energy: -2.423
local terms energy: -594.971005
where:
bonds (distance) C4'-P energy: -143.775
bonds (distance) P-C4' energy: -132.386
flat angles C4'-P-C4' energy: -124.180
flat angles P-C4'-P energy: -99.399
tors. eta vs tors. theta energy: -95.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.407 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1532.191666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.191666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.191666 (E_RNA)
where:
Base-Base interactions energy: -989.925
where: short stacking energy: -412.311
Base-Backbone interact. energy: 3.083
local terms energy: -545.349619
where:
bonds (distance) C4'-P energy: -127.261
bonds (distance) P-C4' energy: -129.291
flat angles C4'-P-C4' energy: -148.929
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -63.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1055.451204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.451204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.451204 (E_RNA)
where:
Base-Base interactions energy: -567.900
where: short stacking energy: -285.040
Base-Backbone interact. energy: 3.507
local terms energy: -491.057870
where:
bonds (distance) C4'-P energy: -119.547
bonds (distance) P-C4' energy: -141.314
flat angles C4'-P-C4' energy: -141.621
flat angles P-C4'-P energy: -63.978
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -933.529078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.529078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.529078 (E_RNA)
where:
Base-Base interactions energy: -478.336
where: short stacking energy: -249.678
Base-Backbone interact. energy: 0.932
local terms energy: -456.124931
where:
bonds (distance) C4'-P energy: -125.450
bonds (distance) P-C4' energy: -123.214
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -96.663
tors. eta vs tors. theta energy: -5.098
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: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2781.034183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.034183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.034183 (E_RNA)
where:
Base-Base interactions energy: -1926.557
where: short stacking energy: -768.513
Base-Backbone interact. energy: -4.661
local terms energy: -849.816242
where:
bonds (distance) C4'-P energy: -175.798
bonds (distance) P-C4' energy: -148.912
flat angles C4'-P-C4' energy: -182.285
flat angles P-C4'-P energy: -117.947
tors. eta vs tors. theta energy: -224.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2649.081974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.081974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.081974 (E_RNA)
where:
Base-Base interactions energy: -1822.008
where: short stacking energy: -767.469
Base-Backbone interact. energy: -8.318
local terms energy: -818.755030
where:
bonds (distance) C4'-P energy: -149.723
bonds (distance) P-C4' energy: -151.827
flat angles C4'-P-C4' energy: -166.194
flat angles P-C4'-P energy: -128.265
tors. eta vs tors. theta energy: -222.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2509.354361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.354361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.354361 (E_RNA)
where:
Base-Base interactions energy: -1724.036
where: short stacking energy: -716.769
Base-Backbone interact. energy: -1.890
local terms energy: -783.428448
where:
bonds (distance) C4'-P energy: -153.289
bonds (distance) P-C4' energy: -147.409
flat angles C4'-P-C4' energy: -162.929
flat angles P-C4'-P energy: -109.332
tors. eta vs tors. theta energy: -210.468
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: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2312.690263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.690263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.690263 (E_RNA)
where:
Base-Base interactions energy: -1553.491
where: short stacking energy: -685.127
Base-Backbone interact. energy: 1.409
local terms energy: -761.005070
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -145.291
flat angles C4'-P-C4' energy: -171.351
flat angles P-C4'-P energy: -107.012
tors. eta vs tors. theta energy: -202.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2230.206362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.206362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.206362 (E_RNA)
where:
Base-Base interactions energy: -1495.563
where: short stacking energy: -626.625
Base-Backbone interact. energy: 3.631
local terms energy: -738.273779
where:
bonds (distance) C4'-P energy: -131.726
bonds (distance) P-C4' energy: -152.754
flat angles C4'-P-C4' energy: -166.412
flat angles P-C4'-P energy: -108.170
tors. eta vs tors. theta energy: -179.211
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1978.975733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.975733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.975733 (E_RNA)
where:
Base-Base interactions energy: -1328.416
where: short stacking energy: -572.823
Base-Backbone interact. energy: -1.046
local terms energy: -649.513326
where:
bonds (distance) C4'-P energy: -133.109
bonds (distance) P-C4' energy: -124.750
flat angles C4'-P-C4' energy: -149.732
flat angles P-C4'-P energy: -99.286
tors. eta vs tors. theta energy: -142.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1587.833752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.833752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.833752 (E_RNA)
where:
Base-Base interactions energy: -1017.357
where: short stacking energy: -458.412
Base-Backbone interact. energy: -1.072
local terms energy: -569.405011
where:
bonds (distance) C4'-P energy: -134.143
bonds (distance) P-C4' energy: -136.254
flat angles C4'-P-C4' energy: -133.117
flat angles P-C4'-P energy: -73.705
tors. eta vs tors. theta energy: -92.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1509.934094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.934094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.934094 (E_RNA)
where:
Base-Base interactions energy: -963.721
where: short stacking energy: -395.830
Base-Backbone interact. energy: -2.925
local terms energy: -543.287943
where:
bonds (distance) C4'-P energy: -132.206
bonds (distance) P-C4' energy: -148.180
flat angles C4'-P-C4' energy: -126.668
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -71.188
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: 255
Temperature: 1.300000
Total energy: -1016.919948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.919948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.919948 (E_RNA)
where:
Base-Base interactions energy: -533.282
where: short stacking energy: -285.404
Base-Backbone interact. energy: 1.131
local terms energy: -484.768442
where:
bonds (distance) C4'-P energy: -132.709
bonds (distance) P-C4' energy: -115.061
flat angles C4'-P-C4' energy: -136.610
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -32.092
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: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -902.926066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.926066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.926066 (E_RNA)
where:
Base-Base interactions energy: -492.951
where: short stacking energy: -245.694
Base-Backbone interact. energy: -0.953
local terms energy: -409.022091
where:
bonds (distance) C4'-P energy: -115.481
bonds (distance) P-C4' energy: -121.052
flat angles C4'-P-C4' energy: -106.946
flat angles P-C4'-P energy: -64.224
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2777.935752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.935752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.935752 (E_RNA)
where:
Base-Base interactions energy: -1905.729
where: short stacking energy: -786.565
Base-Backbone interact. energy: -3.771
local terms energy: -868.435348
where:
bonds (distance) C4'-P energy: -160.155
bonds (distance) P-C4' energy: -175.836
flat angles C4'-P-C4' energy: -186.989
flat angles P-C4'-P energy: -119.697
tors. eta vs tors. theta energy: -225.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2612.215872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.215872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.215872 (E_RNA)
where:
Base-Base interactions energy: -1810.689
where: short stacking energy: -777.513
Base-Backbone interact. energy: -0.381
local terms energy: -801.145706
where:
bonds (distance) C4'-P energy: -139.677
bonds (distance) P-C4' energy: -156.887
flat angles C4'-P-C4' energy: -171.625
flat angles P-C4'-P energy: -119.474
tors. eta vs tors. theta energy: -213.483
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2500.788399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.788399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.788399 (E_RNA)
where:
Base-Base interactions energy: -1694.312
where: short stacking energy: -719.974
Base-Backbone interact. energy: -1.975
local terms energy: -804.500826
where:
bonds (distance) C4'-P energy: -151.543
bonds (distance) P-C4' energy: -169.104
flat angles C4'-P-C4' energy: -164.529
flat angles P-C4'-P energy: -114.186
tors. eta vs tors. theta energy: -205.138
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: 256
Temperature: 1.050000
Total energy: -2321.415005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.415005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.415005 (E_RNA)
where:
Base-Base interactions energy: -1557.654
where: short stacking energy: -693.552
Base-Backbone interact. energy: -2.614
local terms energy: -761.147193
where:
bonds (distance) C4'-P energy: -151.461
bonds (distance) P-C4' energy: -144.529
flat angles C4'-P-C4' energy: -163.783
flat angles P-C4'-P energy: -111.439
tors. eta vs tors. theta energy: -189.935
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: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2235.373481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.373481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.373481 (E_RNA)
where:
Base-Base interactions energy: -1504.741
where: short stacking energy: -647.489
Base-Backbone interact. energy: 1.355
local terms energy: -731.987616
where:
bonds (distance) C4'-P energy: -127.997
bonds (distance) P-C4' energy: -149.968
flat angles C4'-P-C4' energy: -161.557
flat angles P-C4'-P energy: -91.554
tors. eta vs tors. theta energy: -200.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2005.722137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.722137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.722137 (E_RNA)
where:
Base-Base interactions energy: -1324.976
where: short stacking energy: -569.336
Base-Backbone interact. energy: 3.440
local terms energy: -684.186689
where:
bonds (distance) C4'-P energy: -142.117
bonds (distance) P-C4' energy: -149.759
flat angles C4'-P-C4' energy: -156.259
flat angles P-C4'-P energy: -92.234
tors. eta vs tors. theta energy: -143.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1596.565458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.565458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.565458 (E_RNA)
where:
Base-Base interactions energy: -1004.507
where: short stacking energy: -463.570
Base-Backbone interact. energy: 0.373
local terms energy: -592.431532
where:
bonds (distance) C4'-P energy: -132.450
bonds (distance) P-C4' energy: -131.520
flat angles C4'-P-C4' energy: -150.720
flat angles P-C4'-P energy: -73.193
tors. eta vs tors. theta energy: -104.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1451.502021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.502021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.502021 (E_RNA)
where:
Base-Base interactions energy: -883.017
where: short stacking energy: -394.578
Base-Backbone interact. energy: -0.111
local terms energy: -568.374023
where:
bonds (distance) C4'-P energy: -114.536
bonds (distance) P-C4' energy: -146.781
flat angles C4'-P-C4' energy: -154.103
flat angles P-C4'-P energy: -93.539
tors. eta vs tors. theta energy: -59.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1097.306165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.306165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.306165 (E_RNA)
where:
Base-Base interactions energy: -645.180
where: short stacking energy: -308.826
Base-Backbone interact. energy: 0.240
local terms energy: -452.366131
where:
bonds (distance) C4'-P energy: -114.989
bonds (distance) P-C4' energy: -140.924
flat angles C4'-P-C4' energy: -110.890
flat angles P-C4'-P energy: -58.414
tors. eta vs tors. theta energy: -27.148
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: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -945.905749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.905749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.905749 (E_RNA)
where:
Base-Base interactions energy: -500.180
where: short stacking energy: -269.972
Base-Backbone interact. energy: 1.653
local terms energy: -447.379095
where:
bonds (distance) C4'-P energy: -115.277
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -123.618
flat angles P-C4'-P energy: -69.871
tors. eta vs tors. theta energy: -35.487
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: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2781.076847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.076847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.076847 (E_RNA)
where:
Base-Base interactions energy: -1948.366
where: short stacking energy: -789.797
Base-Backbone interact. energy: -1.619
local terms energy: -831.091584
where:
bonds (distance) C4'-P energy: -145.805
bonds (distance) P-C4' energy: -164.063
flat angles C4'-P-C4' energy: -188.411
flat angles P-C4'-P energy: -111.554
tors. eta vs tors. theta energy: -221.259
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: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2640.139019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.139019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.139019 (E_RNA)
where:
Base-Base interactions energy: -1785.705
where: short stacking energy: -745.318
Base-Backbone interact. energy: -5.115
local terms energy: -849.319438
where:
bonds (distance) C4'-P energy: -160.060
bonds (distance) P-C4' energy: -152.431
flat angles C4'-P-C4' energy: -195.212
flat angles P-C4'-P energy: -119.726
tors. eta vs tors. theta energy: -221.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2488.496748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.496748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.496748 (E_RNA)
where:
Base-Base interactions energy: -1679.109
where: short stacking energy: -710.032
Base-Backbone interact. energy: 0.569
local terms energy: -809.957117
where:
bonds (distance) C4'-P energy: -151.900
bonds (distance) P-C4' energy: -163.648
flat angles C4'-P-C4' energy: -171.955
flat angles P-C4'-P energy: -114.039
tors. eta vs tors. theta energy: -208.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2374.081921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.081921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.081921 (E_RNA)
where:
Base-Base interactions energy: -1582.661
where: short stacking energy: -688.786
Base-Backbone interact. energy: -1.660
local terms energy: -789.761300
where:
bonds (distance) C4'-P energy: -143.375
bonds (distance) P-C4' energy: -147.306
flat angles C4'-P-C4' energy: -172.821
flat angles P-C4'-P energy: -119.984
tors. eta vs tors. theta energy: -206.274
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2229.527302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.527302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.527302 (E_RNA)
where:
Base-Base interactions energy: -1520.901
where: short stacking energy: -648.183
Base-Backbone interact. energy: -1.270
local terms energy: -707.356574
where:
bonds (distance) C4'-P energy: -146.267
bonds (distance) P-C4' energy: -143.971
flat angles C4'-P-C4' energy: -134.635
flat angles P-C4'-P energy: -96.604
tors. eta vs tors. theta energy: -185.880
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2156.685466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.685466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.685466 (E_RNA)
where:
Base-Base interactions energy: -1432.838
where: short stacking energy: -629.055
Base-Backbone interact. energy: -0.386
local terms energy: -723.461952
where:
bonds (distance) C4'-P energy: -121.245
bonds (distance) P-C4' energy: -169.979
flat angles C4'-P-C4' energy: -162.760
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -185.289
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: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1581.017094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.017094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.017094 (E_RNA)
where:
Base-Base interactions energy: -970.975
where: short stacking energy: -441.693
Base-Backbone interact. energy: 1.084
local terms energy: -611.126322
where:
bonds (distance) C4'-P energy: -132.274
bonds (distance) P-C4' energy: -152.805
flat angles C4'-P-C4' energy: -144.611
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -91.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1416.697076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.697076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.697076 (E_RNA)
where:
Base-Base interactions energy: -873.512
where: short stacking energy: -398.421
Base-Backbone interact. energy: -2.982
local terms energy: -540.203444
where:
bonds (distance) C4'-P energy: -135.142
bonds (distance) P-C4' energy: -130.886
flat angles C4'-P-C4' energy: -129.058
flat angles P-C4'-P energy: -63.433
tors. eta vs tors. theta energy: -81.685
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: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1001.855721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.855721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.855721 (E_RNA)
where:
Base-Base interactions energy: -519.466
where: short stacking energy: -234.250
Base-Backbone interact. energy: -0.808
local terms energy: -481.581777
where:
bonds (distance) C4'-P energy: -128.054
bonds (distance) P-C4' energy: -151.585
flat angles C4'-P-C4' energy: -119.470
flat angles P-C4'-P energy: -65.697
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -898.567329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.567329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.567329 (E_RNA)
where:
Base-Base interactions energy: -480.663
where: short stacking energy: -240.379
Base-Backbone interact. energy: 3.170
local terms energy: -421.074233
where:
bonds (distance) C4'-P energy: -122.121
bonds (distance) P-C4' energy: -124.997
flat angles C4'-P-C4' energy: -111.912
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2817.464633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.464633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.464633 (E_RNA)
where:
Base-Base interactions energy: -1974.556
where: short stacking energy: -795.456
Base-Backbone interact. energy: -2.876
local terms energy: -840.032242
where:
bonds (distance) C4'-P energy: -161.380
bonds (distance) P-C4' energy: -164.324
flat angles C4'-P-C4' energy: -177.038
flat angles P-C4'-P energy: -112.709
tors. eta vs tors. theta energy: -224.581
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: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2668.688550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.688550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.688550 (E_RNA)
where:
Base-Base interactions energy: -1820.910
where: short stacking energy: -769.977
Base-Backbone interact. energy: -4.668
local terms energy: -843.109996
where:
bonds (distance) C4'-P energy: -157.020
bonds (distance) P-C4' energy: -160.357
flat angles C4'-P-C4' energy: -173.905
flat angles P-C4'-P energy: -130.154
tors. eta vs tors. theta energy: -221.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2472.009330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.009330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.009330 (E_RNA)
where:
Base-Base interactions energy: -1672.370
where: short stacking energy: -732.973
Base-Backbone interact. energy: -1.314
local terms energy: -798.325510
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -162.037
flat angles C4'-P-C4' energy: -185.272
flat angles P-C4'-P energy: -112.386
tors. eta vs tors. theta energy: -201.182
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: 258
Temperature: 1.050000
Total energy: -2329.036927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.036927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.036927 (E_RNA)
where:
Base-Base interactions energy: -1546.028
where: short stacking energy: -707.214
Base-Backbone interact. energy: -3.782
local terms energy: -779.226900
where:
bonds (distance) C4'-P energy: -134.500
bonds (distance) P-C4' energy: -152.556
flat angles C4'-P-C4' energy: -170.830
flat angles P-C4'-P energy: -121.071
tors. eta vs tors. theta energy: -200.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2286.763123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.763123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.763123 (E_RNA)
where:
Base-Base interactions energy: -1539.798
where: short stacking energy: -641.048
Base-Backbone interact. energy: -3.927
local terms energy: -743.037588
where:
bonds (distance) C4'-P energy: -140.534
bonds (distance) P-C4' energy: -153.053
flat angles C4'-P-C4' energy: -167.373
flat angles P-C4'-P energy: -95.850
tors. eta vs tors. theta energy: -186.227
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: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2102.481485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.481485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.481485 (E_RNA)
where:
Base-Base interactions energy: -1419.633
where: short stacking energy: -604.140
Base-Backbone interact. energy: -3.464
local terms energy: -679.384794
where:
bonds (distance) C4'-P energy: -140.348
bonds (distance) P-C4' energy: -143.341
flat angles C4'-P-C4' energy: -162.932
flat angles P-C4'-P energy: -91.259
tors. eta vs tors. theta energy: -141.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1621.925750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.925750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.925750 (E_RNA)
where:
Base-Base interactions energy: -1013.751
where: short stacking energy: -434.836
Base-Backbone interact. energy: 2.610
local terms energy: -610.784384
where:
bonds (distance) C4'-P energy: -141.591
bonds (distance) P-C4' energy: -137.374
flat angles C4'-P-C4' energy: -136.810
flat angles P-C4'-P energy: -92.258
tors. eta vs tors. theta energy: -102.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1460.258474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.258474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.258474 (E_RNA)
where:
Base-Base interactions energy: -915.318
where: short stacking energy: -416.379
Base-Backbone interact. energy: -0.307
local terms energy: -544.633931
where:
bonds (distance) C4'-P energy: -139.242
bonds (distance) P-C4' energy: -126.890
flat angles C4'-P-C4' energy: -118.112
flat angles P-C4'-P energy: -87.212
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -996.483137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.483137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.483137 (E_RNA)
where:
Base-Base interactions energy: -523.729
where: short stacking energy: -286.563
Base-Backbone interact. energy: -0.277
local terms energy: -472.477188
where:
bonds (distance) C4'-P energy: -113.748
bonds (distance) P-C4' energy: -140.471
flat angles C4'-P-C4' energy: -121.432
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -827.458822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.458822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.458822 (E_RNA)
where:
Base-Base interactions energy: -408.134
where: short stacking energy: -213.403
Base-Backbone interact. energy: -0.254
local terms energy: -419.070115
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -142.619
flat angles C4'-P-C4' energy: -110.915
flat angles P-C4'-P energy: -59.337
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: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2775.909244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.909244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.909244 (E_RNA)
where:
Base-Base interactions energy: -1938.021
where: short stacking energy: -780.548
Base-Backbone interact. energy: -3.123
local terms energy: -834.765302
where:
bonds (distance) C4'-P energy: -163.355
bonds (distance) P-C4' energy: -162.236
flat angles C4'-P-C4' energy: -180.870
flat angles P-C4'-P energy: -114.324
tors. eta vs tors. theta energy: -213.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2666.228699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.228699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.228699 (E_RNA)
where:
Base-Base interactions energy: -1847.674
where: short stacking energy: -765.457
Base-Backbone interact. energy: -2.350
local terms energy: -816.204209
where:
bonds (distance) C4'-P energy: -159.803
bonds (distance) P-C4' energy: -167.478
flat angles C4'-P-C4' energy: -164.648
flat angles P-C4'-P energy: -108.504
tors. eta vs tors. theta energy: -215.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2524.289358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.289358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.289358 (E_RNA)
where:
Base-Base interactions energy: -1713.612
where: short stacking energy: -731.570
Base-Backbone interact. energy: -2.008
local terms energy: -808.669059
where:
bonds (distance) C4'-P energy: -162.038
bonds (distance) P-C4' energy: -164.258
flat angles C4'-P-C4' energy: -176.570
flat angles P-C4'-P energy: -107.852
tors. eta vs tors. theta energy: -197.952
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: 259
Temperature: 1.050000
Total energy: -2412.550636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.550636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.550636 (E_RNA)
where:
Base-Base interactions energy: -1587.787
where: short stacking energy: -694.060
Base-Backbone interact. energy: -2.387
local terms energy: -822.377161
where:
bonds (distance) C4'-P energy: -136.599
bonds (distance) P-C4' energy: -161.436
flat angles C4'-P-C4' energy: -185.198
flat angles P-C4'-P energy: -123.879
tors. eta vs tors. theta energy: -215.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2293.932195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.932195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.932195 (E_RNA)
where:
Base-Base interactions energy: -1525.466
where: short stacking energy: -653.977
Base-Backbone interact. energy: -0.174
local terms energy: -768.291940
where:
bonds (distance) C4'-P energy: -152.263
bonds (distance) P-C4' energy: -137.973
flat angles C4'-P-C4' energy: -179.803
flat angles P-C4'-P energy: -117.160
tors. eta vs tors. theta energy: -181.092
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: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2096.800362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.800362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.800362 (E_RNA)
where:
Base-Base interactions energy: -1417.819
where: short stacking energy: -605.044
Base-Backbone interact. energy: 0.186
local terms energy: -679.166994
where:
bonds (distance) C4'-P energy: -137.829
bonds (distance) P-C4' energy: -142.377
flat angles C4'-P-C4' energy: -152.195
flat angles P-C4'-P energy: -92.263
tors. eta vs tors. theta energy: -154.503
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: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1635.963428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.963428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.963428 (E_RNA)
where:
Base-Base interactions energy: -1047.734
where: short stacking energy: -440.594
Base-Backbone interact. energy: 3.819
local terms energy: -592.048578
where:
bonds (distance) C4'-P energy: -115.390
bonds (distance) P-C4' energy: -143.160
flat angles C4'-P-C4' energy: -143.661
flat angles P-C4'-P energy: -90.699
tors. eta vs tors. theta energy: -99.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1431.315984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.315984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.315984 (E_RNA)
where:
Base-Base interactions energy: -858.597
where: short stacking energy: -389.946
Base-Backbone interact. energy: 4.971
local terms energy: -577.690701
where:
bonds (distance) C4'-P energy: -143.085
bonds (distance) P-C4' energy: -143.581
flat angles C4'-P-C4' energy: -148.416
flat angles P-C4'-P energy: -69.896
tors. eta vs tors. theta energy: -72.713
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: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1020.204673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.204673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.204673 (E_RNA)
where:
Base-Base interactions energy: -550.024
where: short stacking energy: -286.511
Base-Backbone interact. energy: -1.680
local terms energy: -468.500653
where:
bonds (distance) C4'-P energy: -124.030
bonds (distance) P-C4' energy: -129.098
flat angles C4'-P-C4' energy: -110.449
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -43.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -864.982255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.982255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.982255 (E_RNA)
where:
Base-Base interactions energy: -424.774
where: short stacking energy: -218.458
Base-Backbone interact. energy: 1.397
local terms energy: -441.604759
where:
bonds (distance) C4'-P energy: -116.120
bonds (distance) P-C4' energy: -140.849
flat angles C4'-P-C4' energy: -100.131
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: 4.437
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: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2796.025540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.025540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.025540 (E_RNA)
where:
Base-Base interactions energy: -1940.702
where: short stacking energy: -779.780
Base-Backbone interact. energy: -3.024
local terms energy: -852.299602
where:
bonds (distance) C4'-P energy: -159.913
bonds (distance) P-C4' energy: -162.209
flat angles C4'-P-C4' energy: -174.354
flat angles P-C4'-P energy: -125.668
tors. eta vs tors. theta energy: -230.156
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2651.248616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.248616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.248616 (E_RNA)
where:
Base-Base interactions energy: -1799.784
where: short stacking energy: -774.890
Base-Backbone interact. energy: -6.688
local terms energy: -844.777087
where:
bonds (distance) C4'-P energy: -173.156
bonds (distance) P-C4' energy: -167.024
flat angles C4'-P-C4' energy: -179.107
flat angles P-C4'-P energy: -100.792
tors. eta vs tors. theta energy: -224.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2499.237172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.237172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.237172 (E_RNA)
where:
Base-Base interactions energy: -1691.669
where: short stacking energy: -734.010
Base-Backbone interact. energy: -0.427
local terms energy: -807.141943
where:
bonds (distance) C4'-P energy: -153.007
bonds (distance) P-C4' energy: -148.545
flat angles C4'-P-C4' energy: -177.289
flat angles P-C4'-P energy: -115.877
tors. eta vs tors. theta energy: -212.423
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2384.558812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.558812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.558812 (E_RNA)
where:
Base-Base interactions energy: -1603.079
where: short stacking energy: -707.669
Base-Backbone interact. energy: -2.999
local terms energy: -778.481256
where:
bonds (distance) C4'-P energy: -152.126
bonds (distance) P-C4' energy: -155.132
flat angles C4'-P-C4' energy: -179.292
flat angles P-C4'-P energy: -95.542
tors. eta vs tors. theta energy: -196.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2267.112837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.112837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.112837 (E_RNA)
where:
Base-Base interactions energy: -1504.723
where: short stacking energy: -639.317
Base-Backbone interact. energy: 0.722
local terms energy: -763.111743
where:
bonds (distance) C4'-P energy: -141.903
bonds (distance) P-C4' energy: -162.276
flat angles C4'-P-C4' energy: -167.902
flat angles P-C4'-P energy: -107.889
tors. eta vs tors. theta energy: -183.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2020.779401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.779401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.779401 (E_RNA)
where:
Base-Base interactions energy: -1305.499
where: short stacking energy: -557.538
Base-Backbone interact. energy: 2.414
local terms energy: -717.694917
where:
bonds (distance) C4'-P energy: -148.512
bonds (distance) P-C4' energy: -148.278
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -100.082
tors. eta vs tors. theta energy: -164.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1662.681691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.681691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.681691 (E_RNA)
where:
Base-Base interactions energy: -1021.833
where: short stacking energy: -463.860
Base-Backbone interact. energy: 1.715
local terms energy: -642.563516
where:
bonds (distance) C4'-P energy: -145.920
bonds (distance) P-C4' energy: -139.989
flat angles C4'-P-C4' energy: -154.808
flat angles P-C4'-P energy: -88.088
tors. eta vs tors. theta energy: -113.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1410.066672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.066672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.066672 (E_RNA)
where:
Base-Base interactions energy: -877.198
where: short stacking energy: -417.546
Base-Backbone interact. energy: -4.822
local terms energy: -528.046216
where:
bonds (distance) C4'-P energy: -137.963
bonds (distance) P-C4' energy: -123.172
flat angles C4'-P-C4' energy: -137.831
flat angles P-C4'-P energy: -73.701
tors. eta vs tors. theta energy: -55.378
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: 260
Temperature: 1.300000
Total energy: -971.818130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.818130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.818130 (E_RNA)
where:
Base-Base interactions energy: -530.821
where: short stacking energy: -280.684
Base-Backbone interact. energy: -1.038
local terms energy: -439.958661
where:
bonds (distance) C4'-P energy: -114.084
bonds (distance) P-C4' energy: -117.900
flat angles C4'-P-C4' energy: -127.739
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -866.826746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.826746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.826746 (E_RNA)
where:
Base-Base interactions energy: -430.481
where: short stacking energy: -233.390
Base-Backbone interact. energy: -3.551
local terms energy: -432.795105
where:
bonds (distance) C4'-P energy: -114.744
bonds (distance) P-C4' energy: -131.329
flat angles C4'-P-C4' energy: -111.919
flat angles P-C4'-P energy: -70.316
tors. eta vs tors. theta energy: -4.488
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: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2790.796662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.796662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.796662 (E_RNA)
where:
Base-Base interactions energy: -1955.132
where: short stacking energy: -776.149
Base-Backbone interact. energy: -2.111
local terms energy: -833.553796
where:
bonds (distance) C4'-P energy: -158.189
bonds (distance) P-C4' energy: -151.967
flat angles C4'-P-C4' energy: -172.526
flat angles P-C4'-P energy: -129.208
tors. eta vs tors. theta energy: -221.665
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2660.891096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.891096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.891096 (E_RNA)
where:
Base-Base interactions energy: -1829.356
where: short stacking energy: -772.676
Base-Backbone interact. energy: -6.984
local terms energy: -824.551131
where:
bonds (distance) C4'-P energy: -157.135
bonds (distance) P-C4' energy: -154.517
flat angles C4'-P-C4' energy: -183.992
flat angles P-C4'-P energy: -107.384
tors. eta vs tors. theta energy: -221.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2501.220553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.220553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.220553 (E_RNA)
where:
Base-Base interactions energy: -1705.282
where: short stacking energy: -730.947
Base-Backbone interact. energy: -3.548
local terms energy: -792.390428
where:
bonds (distance) C4'-P energy: -144.497
bonds (distance) P-C4' energy: -158.482
flat angles C4'-P-C4' energy: -167.604
flat angles P-C4'-P energy: -114.358
tors. eta vs tors. theta energy: -207.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2356.069372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.069372 (E_RNA)
where:
Base-Base interactions energy: -1589.637
where: short stacking energy: -680.015
Base-Backbone interact. energy: -2.567
local terms energy: -763.865722
where:
bonds (distance) C4'-P energy: -153.864
bonds (distance) P-C4' energy: -154.273
flat angles C4'-P-C4' energy: -157.028
flat angles P-C4'-P energy: -102.895
tors. eta vs tors. theta energy: -195.805
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: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2208.542205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.542205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.542205 (E_RNA)
where:
Base-Base interactions energy: -1511.945
where: short stacking energy: -632.139
Base-Backbone interact. energy: -2.713
local terms energy: -693.884963
where:
bonds (distance) C4'-P energy: -122.283
bonds (distance) P-C4' energy: -155.714
flat angles C4'-P-C4' energy: -144.557
flat angles P-C4'-P energy: -98.616
tors. eta vs tors. theta energy: -172.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2022.041489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.041489 (E_RNA)
where:
Base-Base interactions energy: -1295.862
where: short stacking energy: -576.469
Base-Backbone interact. energy: -1.306
local terms energy: -724.873781
where:
bonds (distance) C4'-P energy: -136.871
bonds (distance) P-C4' energy: -158.514
flat angles C4'-P-C4' energy: -172.888
flat angles P-C4'-P energy: -98.167
tors. eta vs tors. theta energy: -158.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1657.133179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.133179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.133179 (E_RNA)
where:
Base-Base interactions energy: -1055.219
where: short stacking energy: -477.522
Base-Backbone interact. energy: -0.576
local terms energy: -601.338675
where:
bonds (distance) C4'-P energy: -123.206
bonds (distance) P-C4' energy: -130.501
flat angles C4'-P-C4' energy: -145.018
flat angles P-C4'-P energy: -95.937
tors. eta vs tors. theta energy: -106.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1334.819267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.819267 (E_RNA)
where:
Base-Base interactions energy: -805.970
where: short stacking energy: -377.970
Base-Backbone interact. energy: -0.226
local terms energy: -528.623206
where:
bonds (distance) C4'-P energy: -105.566
bonds (distance) P-C4' energy: -138.973
flat angles C4'-P-C4' energy: -142.385
flat angles P-C4'-P energy: -88.418
tors. eta vs tors. theta energy: -53.282
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: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -960.681690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.681690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.681690 (E_RNA)
where:
Base-Base interactions energy: -509.392
where: short stacking energy: -287.111
Base-Backbone interact. energy: -1.692
local terms energy: -449.597941
where:
bonds (distance) C4'-P energy: -116.891
bonds (distance) P-C4' energy: -128.894
flat angles C4'-P-C4' energy: -129.181
flat angles P-C4'-P energy: -55.965
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -860.107730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.107730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.107730 (E_RNA)
where:
Base-Base interactions energy: -437.210
where: short stacking energy: -236.027
Base-Backbone interact. energy: -0.308
local terms energy: -422.589791
where:
bonds (distance) C4'-P energy: -139.062
bonds (distance) P-C4' energy: -138.032
flat angles C4'-P-C4' energy: -95.930
flat angles P-C4'-P energy: -58.753
tors. eta vs tors. theta energy: 9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2775.173134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.173134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.173134 (E_RNA)
where:
Base-Base interactions energy: -1908.392
where: short stacking energy: -782.160
Base-Backbone interact. energy: -5.647
local terms energy: -861.133332
where:
bonds (distance) C4'-P energy: -162.540
bonds (distance) P-C4' energy: -167.422
flat angles C4'-P-C4' energy: -184.562
flat angles P-C4'-P energy: -123.492
tors. eta vs tors. theta energy: -223.117
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: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2644.931600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.931600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.931600 (E_RNA)
where:
Base-Base interactions energy: -1809.887
where: short stacking energy: -759.559
Base-Backbone interact. energy: 0.809
local terms energy: -835.853142
where:
bonds (distance) C4'-P energy: -158.596
bonds (distance) P-C4' energy: -172.360
flat angles C4'-P-C4' energy: -179.063
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -221.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2531.070698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.070698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.070698 (E_RNA)
where:
Base-Base interactions energy: -1752.899
where: short stacking energy: -730.630
Base-Backbone interact. energy: 1.498
local terms energy: -779.670272
where:
bonds (distance) C4'-P energy: -161.289
bonds (distance) P-C4' energy: -146.018
flat angles C4'-P-C4' energy: -160.675
flat angles P-C4'-P energy: -102.871
tors. eta vs tors. theta energy: -208.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2368.920307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.920307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.920307 (E_RNA)
where:
Base-Base interactions energy: -1552.496
where: short stacking energy: -672.302
Base-Backbone interact. energy: -1.986
local terms energy: -814.438372
where:
bonds (distance) C4'-P energy: -155.034
bonds (distance) P-C4' energy: -160.220
flat angles C4'-P-C4' energy: -180.461
flat angles P-C4'-P energy: -95.418
tors. eta vs tors. theta energy: -223.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2196.452953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.452953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.452953 (E_RNA)
where:
Base-Base interactions energy: -1479.675
where: short stacking energy: -612.855
Base-Backbone interact. energy: -1.627
local terms energy: -715.151137
where:
bonds (distance) C4'-P energy: -146.985
bonds (distance) P-C4' energy: -134.036
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -103.197
tors. eta vs tors. theta energy: -168.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2024.199218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.199218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.199218 (E_RNA)
where:
Base-Base interactions energy: -1340.292
where: short stacking energy: -578.111
Base-Backbone interact. energy: -4.504
local terms energy: -679.403605
where:
bonds (distance) C4'-P energy: -136.577
bonds (distance) P-C4' energy: -141.765
flat angles C4'-P-C4' energy: -162.588
flat angles P-C4'-P energy: -87.436
tors. eta vs tors. theta energy: -151.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1735.447684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.447684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.447684 (E_RNA)
where:
Base-Base interactions energy: -1125.529
where: short stacking energy: -491.139
Base-Backbone interact. energy: -1.432
local terms energy: -608.486660
where:
bonds (distance) C4'-P energy: -116.285
bonds (distance) P-C4' energy: -141.897
flat angles C4'-P-C4' energy: -141.844
flat angles P-C4'-P energy: -96.340
tors. eta vs tors. theta energy: -112.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1363.383186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.383186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.383186 (E_RNA)
where:
Base-Base interactions energy: -813.582
where: short stacking energy: -366.751
Base-Backbone interact. energy: 0.578
local terms energy: -550.378292
where:
bonds (distance) C4'-P energy: -143.177
bonds (distance) P-C4' energy: -140.811
flat angles C4'-P-C4' energy: -145.194
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -52.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -918.073356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.073356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.073356 (E_RNA)
where:
Base-Base interactions energy: -464.322
where: short stacking energy: -235.104
Base-Backbone interact. energy: -0.115
local terms energy: -453.636420
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -136.175
flat angles C4'-P-C4' energy: -119.998
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -2.891
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: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -840.156340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.156340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.156340 (E_RNA)
where:
Base-Base interactions energy: -425.240
where: short stacking energy: -244.083
Base-Backbone interact. energy: 2.340
local terms energy: -417.255806
where:
bonds (distance) C4'-P energy: -110.912
bonds (distance) P-C4' energy: -140.409
flat angles C4'-P-C4' energy: -99.320
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2775.263860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.263860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.263860 (E_RNA)
where:
Base-Base interactions energy: -1967.754
where: short stacking energy: -794.673
Base-Backbone interact. energy: -4.458
local terms energy: -803.052655
where:
bonds (distance) C4'-P energy: -151.418
bonds (distance) P-C4' energy: -163.574
flat angles C4'-P-C4' energy: -168.098
flat angles P-C4'-P energy: -104.564
tors. eta vs tors. theta energy: -215.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2629.682792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.682792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.682792 (E_RNA)
where:
Base-Base interactions energy: -1811.198
where: short stacking energy: -737.651
Base-Backbone interact. energy: -1.695
local terms energy: -816.789201
where:
bonds (distance) C4'-P energy: -156.279
bonds (distance) P-C4' energy: -149.256
flat angles C4'-P-C4' energy: -188.258
flat angles P-C4'-P energy: -110.008
tors. eta vs tors. theta energy: -212.989
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: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2518.617521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.617521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.617521 (E_RNA)
where:
Base-Base interactions energy: -1690.594
where: short stacking energy: -736.005
Base-Backbone interact. energy: -3.625
local terms energy: -824.398396
where:
bonds (distance) C4'-P energy: -171.466
bonds (distance) P-C4' energy: -169.805
flat angles C4'-P-C4' energy: -169.254
flat angles P-C4'-P energy: -102.772
tors. eta vs tors. theta energy: -211.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2357.538218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.538218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.538218 (E_RNA)
where:
Base-Base interactions energy: -1570.618
where: short stacking energy: -680.757
Base-Backbone interact. energy: -5.304
local terms energy: -781.615807
where:
bonds (distance) C4'-P energy: -150.269
bonds (distance) P-C4' energy: -156.028
flat angles C4'-P-C4' energy: -167.718
flat angles P-C4'-P energy: -113.524
tors. eta vs tors. theta energy: -194.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2225.934278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.934278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.934278 (E_RNA)
where:
Base-Base interactions energy: -1506.208
where: short stacking energy: -654.079
Base-Backbone interact. energy: -2.198
local terms energy: -717.904324
where:
bonds (distance) C4'-P energy: -152.097
bonds (distance) P-C4' energy: -136.132
flat angles C4'-P-C4' energy: -164.098
flat angles P-C4'-P energy: -91.052
tors. eta vs tors. theta energy: -174.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1977.350268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.350268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.350268 (E_RNA)
where:
Base-Base interactions energy: -1317.899
where: short stacking energy: -580.476
Base-Backbone interact. energy: 2.942
local terms energy: -662.392885
where:
bonds (distance) C4'-P energy: -138.259
bonds (distance) P-C4' energy: -141.910
flat angles C4'-P-C4' energy: -124.207
flat angles P-C4'-P energy: -101.771
tors. eta vs tors. theta energy: -156.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1745.228952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.228952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.228952 (E_RNA)
where:
Base-Base interactions energy: -1128.326
where: short stacking energy: -510.044
Base-Backbone interact. energy: 1.223
local terms energy: -618.125464
where:
bonds (distance) C4'-P energy: -143.058
bonds (distance) P-C4' energy: -130.563
flat angles C4'-P-C4' energy: -143.043
flat angles P-C4'-P energy: -96.814
tors. eta vs tors. theta energy: -104.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1346.911166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.911166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.911166 (E_RNA)
where:
Base-Base interactions energy: -817.822
where: short stacking energy: -361.859
Base-Backbone interact. energy: 2.826
local terms energy: -531.914714
where:
bonds (distance) C4'-P energy: -141.161
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -119.524
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -889.685402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.685402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.685402 (E_RNA)
where:
Base-Base interactions energy: -438.022
where: short stacking energy: -280.688
Base-Backbone interact. energy: 1.878
local terms energy: -453.541546
where:
bonds (distance) C4'-P energy: -112.901
bonds (distance) P-C4' energy: -147.008
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -71.974
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -778.830003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.830003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.830003 (E_RNA)
where:
Base-Base interactions energy: -374.601
where: short stacking energy: -218.814
Base-Backbone interact. energy: -1.647
local terms energy: -402.582421
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -145.638
flat angles C4'-P-C4' energy: -104.571
flat angles P-C4'-P energy: -55.920
tors. eta vs tors. theta energy: 16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2804.484220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.484220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.484220 (E_RNA)
where:
Base-Base interactions energy: -1953.666
where: short stacking energy: -781.426
Base-Backbone interact. energy: -1.796
local terms energy: -849.022401
where:
bonds (distance) C4'-P energy: -158.093
bonds (distance) P-C4' energy: -163.963
flat angles C4'-P-C4' energy: -180.346
flat angles P-C4'-P energy: -128.153
tors. eta vs tors. theta energy: -218.467
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2618.840923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.840923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.840923 (E_RNA)
where:
Base-Base interactions energy: -1834.221
where: short stacking energy: -781.253
Base-Backbone interact. energy: -3.254
local terms energy: -781.366012
where:
bonds (distance) C4'-P energy: -147.812
bonds (distance) P-C4' energy: -148.393
flat angles C4'-P-C4' energy: -170.366
flat angles P-C4'-P energy: -104.146
tors. eta vs tors. theta energy: -210.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2532.803194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.803194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.803194 (E_RNA)
where:
Base-Base interactions energy: -1683.220
where: short stacking energy: -723.634
Base-Backbone interact. energy: -4.305
local terms energy: -845.278156
where:
bonds (distance) C4'-P energy: -166.765
bonds (distance) P-C4' energy: -163.156
flat angles C4'-P-C4' energy: -175.220
flat angles P-C4'-P energy: -123.460
tors. eta vs tors. theta energy: -216.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2383.128616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.128616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.128616 (E_RNA)
where:
Base-Base interactions energy: -1612.394
where: short stacking energy: -718.728
Base-Backbone interact. energy: -2.559
local terms energy: -768.175761
where:
bonds (distance) C4'-P energy: -135.300
bonds (distance) P-C4' energy: -146.571
flat angles C4'-P-C4' energy: -171.072
flat angles P-C4'-P energy: -105.129
tors. eta vs tors. theta energy: -210.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2279.144017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.144017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.144017 (E_RNA)
where:
Base-Base interactions energy: -1518.222
where: short stacking energy: -668.383
Base-Backbone interact. energy: -2.188
local terms energy: -758.845047
where:
bonds (distance) C4'-P energy: -142.771
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -171.930
flat angles P-C4'-P energy: -108.125
tors. eta vs tors. theta energy: -195.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.111 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2042.241002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.241002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.241002 (E_RNA)
where:
Base-Base interactions energy: -1333.742
where: short stacking energy: -595.863
Base-Backbone interact. energy: 1.322
local terms energy: -709.821374
where:
bonds (distance) C4'-P energy: -145.227
bonds (distance) P-C4' energy: -145.214
flat angles C4'-P-C4' energy: -147.898
flat angles P-C4'-P energy: -110.939
tors. eta vs tors. theta energy: -160.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1730.340942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.340942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.340942 (E_RNA)
where:
Base-Base interactions energy: -1103.317
where: short stacking energy: -500.722
Base-Backbone interact. energy: -5.470
local terms energy: -621.554703
where:
bonds (distance) C4'-P energy: -139.965
bonds (distance) P-C4' energy: -143.852
flat angles C4'-P-C4' energy: -145.832
flat angles P-C4'-P energy: -85.503
tors. eta vs tors. theta energy: -106.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1351.478328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.478328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.478328 (E_RNA)
where:
Base-Base interactions energy: -832.053
where: short stacking energy: -364.781
Base-Backbone interact. energy: 2.828
local terms energy: -522.253261
where:
bonds (distance) C4'-P energy: -126.814
bonds (distance) P-C4' energy: -131.410
flat angles C4'-P-C4' energy: -132.196
flat angles P-C4'-P energy: -79.032
tors. eta vs tors. theta energy: -52.801
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: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -862.614159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.614159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.614159 (E_RNA)
where:
Base-Base interactions energy: -400.951
where: short stacking energy: -234.040
Base-Backbone interact. energy: 0.958
local terms energy: -462.620351
where:
bonds (distance) C4'-P energy: -128.366
bonds (distance) P-C4' energy: -138.613
flat angles C4'-P-C4' energy: -114.797
flat angles P-C4'-P energy: -70.538
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -742.719773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.719773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.719773 (E_RNA)
where:
Base-Base interactions energy: -335.822
where: short stacking energy: -203.923
Base-Backbone interact. energy: 1.843
local terms energy: -408.740721
where:
bonds (distance) C4'-P energy: -130.819
bonds (distance) P-C4' energy: -129.985
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: 33.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2759.873400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.873400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.873400 (E_RNA)
where:
Base-Base interactions energy: -1919.091
where: short stacking energy: -789.820
Base-Backbone interact. energy: -1.671
local terms energy: -839.110543
where:
bonds (distance) C4'-P energy: -159.310
bonds (distance) P-C4' energy: -160.616
flat angles C4'-P-C4' energy: -181.119
flat angles P-C4'-P energy: -115.114
tors. eta vs tors. theta energy: -222.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2609.860080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.860080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.860080 (E_RNA)
where:
Base-Base interactions energy: -1807.194
where: short stacking energy: -728.682
Base-Backbone interact. energy: -3.295
local terms energy: -799.370709
where:
bonds (distance) C4'-P energy: -151.302
bonds (distance) P-C4' energy: -152.959
flat angles C4'-P-C4' energy: -167.684
flat angles P-C4'-P energy: -119.954
tors. eta vs tors. theta energy: -207.471
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: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2544.608075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.608075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.608075 (E_RNA)
where:
Base-Base interactions energy: -1731.040
where: short stacking energy: -747.085
Base-Backbone interact. energy: -1.125
local terms energy: -812.442521
where:
bonds (distance) C4'-P energy: -161.618
bonds (distance) P-C4' energy: -150.344
flat angles C4'-P-C4' energy: -173.932
flat angles P-C4'-P energy: -115.301
tors. eta vs tors. theta energy: -211.248
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: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2405.647472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.647472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.647472 (E_RNA)
where:
Base-Base interactions energy: -1601.361
where: short stacking energy: -711.983
Base-Backbone interact. energy: -1.535
local terms energy: -803.745391
where:
bonds (distance) C4'-P energy: -149.737
bonds (distance) P-C4' energy: -143.307
flat angles C4'-P-C4' energy: -175.067
flat angles P-C4'-P energy: -119.528
tors. eta vs tors. theta energy: -216.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.994 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2271.659013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.659013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.659013 (E_RNA)
where:
Base-Base interactions energy: -1523.136
where: short stacking energy: -632.530
Base-Backbone interact. energy: -3.431
local terms energy: -745.091371
where:
bonds (distance) C4'-P energy: -150.125
bonds (distance) P-C4' energy: -150.535
flat angles C4'-P-C4' energy: -165.142
flat angles P-C4'-P energy: -105.493
tors. eta vs tors. theta energy: -173.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1980.015379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.015379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.015379 (E_RNA)
where:
Base-Base interactions energy: -1304.480
where: short stacking energy: -590.945
Base-Backbone interact. energy: 5.423
local terms energy: -680.958656
where:
bonds (distance) C4'-P energy: -138.260
bonds (distance) P-C4' energy: -140.284
flat angles C4'-P-C4' energy: -136.999
flat angles P-C4'-P energy: -104.309
tors. eta vs tors. theta energy: -161.106
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1722.421065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.421065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.421065 (E_RNA)
where:
Base-Base interactions energy: -1097.620
where: short stacking energy: -481.463
Base-Backbone interact. energy: -0.850
local terms energy: -623.951258
where:
bonds (distance) C4'-P energy: -140.034
bonds (distance) P-C4' energy: -147.257
flat angles C4'-P-C4' energy: -136.616
flat angles P-C4'-P energy: -88.295
tors. eta vs tors. theta energy: -111.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1313.003357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.003357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.003357 (E_RNA)
where:
Base-Base interactions energy: -786.096
where: short stacking energy: -370.171
Base-Backbone interact. energy: -4.055
local terms energy: -522.852434
where:
bonds (distance) C4'-P energy: -124.926
bonds (distance) P-C4' energy: -149.431
flat angles C4'-P-C4' energy: -107.784
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -64.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -921.553703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.553703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.553703 (E_RNA)
where:
Base-Base interactions energy: -456.349
where: short stacking energy: -254.693
Base-Backbone interact. energy: 0.401
local terms energy: -465.605381
where:
bonds (distance) C4'-P energy: -122.182
bonds (distance) P-C4' energy: -145.912
flat angles C4'-P-C4' energy: -131.542
flat angles P-C4'-P energy: -68.806
tors. eta vs tors. theta energy: 2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -797.451582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.451582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.451582 (E_RNA)
where:
Base-Base interactions energy: -363.025
where: short stacking energy: -231.408
Base-Backbone interact. energy: -1.009
local terms energy: -433.417462
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -134.572
flat angles C4'-P-C4' energy: -103.736
flat angles P-C4'-P energy: -64.441
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2800.643717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.643717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.643717 (E_RNA)
where:
Base-Base interactions energy: -1957.406
where: short stacking energy: -784.283
Base-Backbone interact. energy: -3.080
local terms energy: -840.157840
where:
bonds (distance) C4'-P energy: -158.607
bonds (distance) P-C4' energy: -161.012
flat angles C4'-P-C4' energy: -178.794
flat angles P-C4'-P energy: -117.498
tors. eta vs tors. theta energy: -224.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2616.301030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.301030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.301030 (E_RNA)
where:
Base-Base interactions energy: -1812.200
where: short stacking energy: -734.567
Base-Backbone interact. energy: -4.323
local terms energy: -799.778298
where:
bonds (distance) C4'-P energy: -146.692
bonds (distance) P-C4' energy: -171.089
flat angles C4'-P-C4' energy: -175.347
flat angles P-C4'-P energy: -95.775
tors. eta vs tors. theta energy: -210.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2463.624293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.624293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.624293 (E_RNA)
where:
Base-Base interactions energy: -1666.656
where: short stacking energy: -710.475
Base-Backbone interact. energy: -4.139
local terms energy: -792.829778
where:
bonds (distance) C4'-P energy: -150.780
bonds (distance) P-C4' energy: -153.166
flat angles C4'-P-C4' energy: -157.929
flat angles P-C4'-P energy: -114.254
tors. eta vs tors. theta energy: -216.701
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2355.874845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.874845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.874845 (E_RNA)
where:
Base-Base interactions energy: -1605.012
where: short stacking energy: -705.935
Base-Backbone interact. energy: -2.854
local terms energy: -748.008995
where:
bonds (distance) C4'-P energy: -139.047
bonds (distance) P-C4' energy: -143.047
flat angles C4'-P-C4' energy: -166.322
flat angles P-C4'-P energy: -102.077
tors. eta vs tors. theta energy: -197.516
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: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2247.867880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.867880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.867880 (E_RNA)
where:
Base-Base interactions energy: -1526.137
where: short stacking energy: -652.136
Base-Backbone interact. energy: 4.491
local terms energy: -726.221421
where:
bonds (distance) C4'-P energy: -148.109
bonds (distance) P-C4' energy: -134.432
flat angles C4'-P-C4' energy: -169.442
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: -181.229
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2020.129891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.129891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.129891 (E_RNA)
where:
Base-Base interactions energy: -1336.752
where: short stacking energy: -582.404
Base-Backbone interact. energy: 5.219
local terms energy: -688.596568
where:
bonds (distance) C4'-P energy: -133.531
bonds (distance) P-C4' energy: -134.590
flat angles C4'-P-C4' energy: -169.121
flat angles P-C4'-P energy: -97.485
tors. eta vs tors. theta energy: -153.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1725.745755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.745755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.745755 (E_RNA)
where:
Base-Base interactions energy: -1118.855
where: short stacking energy: -505.121
Base-Backbone interact. energy: -1.425
local terms energy: -605.466193
where:
bonds (distance) C4'-P energy: -130.480
bonds (distance) P-C4' energy: -124.491
flat angles C4'-P-C4' energy: -149.884
flat angles P-C4'-P energy: -77.296
tors. eta vs tors. theta energy: -123.315
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: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1370.752035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.752035 (E_RNA)
where:
Base-Base interactions energy: -810.167
where: short stacking energy: -381.465
Base-Backbone interact. energy: -2.910
local terms energy: -557.674552
where:
bonds (distance) C4'-P energy: -130.517
bonds (distance) P-C4' energy: -128.995
flat angles C4'-P-C4' energy: -138.933
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -75.691
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: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -944.263309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.263309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.263309 (E_RNA)
where:
Base-Base interactions energy: -450.753
where: short stacking energy: -275.738
Base-Backbone interact. energy: 0.345
local terms energy: -493.855871
where:
bonds (distance) C4'-P energy: -124.396
bonds (distance) P-C4' energy: -143.564
flat angles C4'-P-C4' energy: -134.864
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -30.162
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: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -764.761517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.761517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.761517 (E_RNA)
where:
Base-Base interactions energy: -349.453
where: short stacking energy: -187.195
Base-Backbone interact. energy: -4.746
local terms energy: -410.561669
where:
bonds (distance) C4'-P energy: -132.157
bonds (distance) P-C4' energy: -133.038
flat angles C4'-P-C4' energy: -83.943
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: 15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2760.511458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.511458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.511458 (E_RNA)
where:
Base-Base interactions energy: -1914.097
where: short stacking energy: -779.717
Base-Backbone interact. energy: -3.582
local terms energy: -842.832429
where:
bonds (distance) C4'-P energy: -152.961
bonds (distance) P-C4' energy: -177.792
flat angles C4'-P-C4' energy: -171.294
flat angles P-C4'-P energy: -119.628
tors. eta vs tors. theta energy: -221.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2639.320243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.320243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.320243 (E_RNA)
where:
Base-Base interactions energy: -1817.445
where: short stacking energy: -751.451
Base-Backbone interact. energy: -2.538
local terms energy: -819.337704
where:
bonds (distance) C4'-P energy: -168.726
bonds (distance) P-C4' energy: -166.176
flat angles C4'-P-C4' energy: -157.775
flat angles P-C4'-P energy: -105.753
tors. eta vs tors. theta energy: -220.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2489.762114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.762114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.762114 (E_RNA)
where:
Base-Base interactions energy: -1671.034
where: short stacking energy: -718.241
Base-Backbone interact. energy: -4.912
local terms energy: -813.816917
where:
bonds (distance) C4'-P energy: -128.801
bonds (distance) P-C4' energy: -165.347
flat angles C4'-P-C4' energy: -173.867
flat angles P-C4'-P energy: -116.521
tors. eta vs tors. theta energy: -229.281
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: 267
Temperature: 1.050000
Total energy: -2362.421921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.421921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.421921 (E_RNA)
where:
Base-Base interactions energy: -1574.864
where: short stacking energy: -689.163
Base-Backbone interact. energy: -2.642
local terms energy: -784.915909
where:
bonds (distance) C4'-P energy: -163.632
bonds (distance) P-C4' energy: -151.013
flat angles C4'-P-C4' energy: -188.879
flat angles P-C4'-P energy: -91.875
tors. eta vs tors. theta energy: -189.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2193.112974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.112974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.112974 (E_RNA)
where:
Base-Base interactions energy: -1470.595
where: short stacking energy: -633.888
Base-Backbone interact. energy: -3.107
local terms energy: -719.411581
where:
bonds (distance) C4'-P energy: -145.669
bonds (distance) P-C4' energy: -150.177
flat angles C4'-P-C4' energy: -165.957
flat angles P-C4'-P energy: -99.363
tors. eta vs tors. theta energy: -158.246
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: 267
Temperature: 1.150000
Total energy: -2028.954661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.954661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.954661 (E_RNA)
where:
Base-Base interactions energy: -1327.092
where: short stacking energy: -567.166
Base-Backbone interact. energy: 1.730
local terms energy: -703.592591
where:
bonds (distance) C4'-P energy: -136.835
bonds (distance) P-C4' energy: -152.043
flat angles C4'-P-C4' energy: -157.154
flat angles P-C4'-P energy: -96.973
tors. eta vs tors. theta energy: -160.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1694.507979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.507979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.507979 (E_RNA)
where:
Base-Base interactions energy: -1091.613
where: short stacking energy: -489.662
Base-Backbone interact. energy: -2.205
local terms energy: -600.690378
where:
bonds (distance) C4'-P energy: -126.238
bonds (distance) P-C4' energy: -126.645
flat angles C4'-P-C4' energy: -137.823
flat angles P-C4'-P energy: -100.009
tors. eta vs tors. theta energy: -109.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1303.025519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.025519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.025519 (E_RNA)
where:
Base-Base interactions energy: -747.644
where: short stacking energy: -386.283
Base-Backbone interact. energy: -0.809
local terms energy: -554.572459
where:
bonds (distance) C4'-P energy: -135.988
bonds (distance) P-C4' energy: -143.426
flat angles C4'-P-C4' energy: -137.062
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -53.615
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: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -917.513685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.513685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.513685 (E_RNA)
where:
Base-Base interactions energy: -431.484
where: short stacking energy: -238.327
Base-Backbone interact. energy: 2.614
local terms energy: -488.643681
where:
bonds (distance) C4'-P energy: -132.344
bonds (distance) P-C4' energy: -140.246
flat angles C4'-P-C4' energy: -120.742
flat angles P-C4'-P energy: -95.938
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -703.646713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.646713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.646713 (E_RNA)
where:
Base-Base interactions energy: -293.219
where: short stacking energy: -195.646
Base-Backbone interact. energy: -4.418
local terms energy: -406.009977
where:
bonds (distance) C4'-P energy: -120.026
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -114.429
flat angles P-C4'-P energy: -72.858
tors. eta vs tors. theta energy: 35.722
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: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2770.442916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.442916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.442916 (E_RNA)
where:
Base-Base interactions energy: -1917.525
where: short stacking energy: -753.084
Base-Backbone interact. energy: -4.462
local terms energy: -848.455969
where:
bonds (distance) C4'-P energy: -172.903
bonds (distance) P-C4' energy: -177.292
flat angles C4'-P-C4' energy: -166.544
flat angles P-C4'-P energy: -120.212
tors. eta vs tors. theta energy: -211.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2633.274480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.274480 (E_RNA)
where:
Base-Base interactions energy: -1796.205
where: short stacking energy: -766.194
Base-Backbone interact. energy: -4.839
local terms energy: -832.231016
where:
bonds (distance) C4'-P energy: -154.814
bonds (distance) P-C4' energy: -159.710
flat angles C4'-P-C4' energy: -178.651
flat angles P-C4'-P energy: -116.121
tors. eta vs tors. theta energy: -222.936
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: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2479.469485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.469485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.469485 (E_RNA)
where:
Base-Base interactions energy: -1692.693
where: short stacking energy: -715.201
Base-Backbone interact. energy: -2.759
local terms energy: -784.017131
where:
bonds (distance) C4'-P energy: -153.138
bonds (distance) P-C4' energy: -161.098
flat angles C4'-P-C4' energy: -170.734
flat angles P-C4'-P energy: -98.341
tors. eta vs tors. theta energy: -200.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2347.997179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.997179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.997179 (E_RNA)
where:
Base-Base interactions energy: -1591.709
where: short stacking energy: -689.202
Base-Backbone interact. energy: -0.901
local terms energy: -755.387151
where:
bonds (distance) C4'-P energy: -143.232
bonds (distance) P-C4' energy: -135.451
flat angles C4'-P-C4' energy: -166.211
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -206.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2213.080666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.080666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.080666 (E_RNA)
where:
Base-Base interactions energy: -1499.772
where: short stacking energy: -644.538
Base-Backbone interact. energy: -0.826
local terms energy: -712.482209
where:
bonds (distance) C4'-P energy: -128.675
bonds (distance) P-C4' energy: -150.059
flat angles C4'-P-C4' energy: -157.097
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -180.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2005.543619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.543619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.543619 (E_RNA)
where:
Base-Base interactions energy: -1334.780
where: short stacking energy: -573.281
Base-Backbone interact. energy: -2.045
local terms energy: -668.718826
where:
bonds (distance) C4'-P energy: -128.558
bonds (distance) P-C4' energy: -147.368
flat angles C4'-P-C4' energy: -136.565
flat angles P-C4'-P energy: -110.108
tors. eta vs tors. theta energy: -146.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1674.018198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.018198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.018198 (E_RNA)
where:
Base-Base interactions energy: -1057.701
where: short stacking energy: -455.107
Base-Backbone interact. energy: 2.779
local terms energy: -619.096710
where:
bonds (distance) C4'-P energy: -141.745
bonds (distance) P-C4' energy: -148.669
flat angles C4'-P-C4' energy: -141.205
flat angles P-C4'-P energy: -84.495
tors. eta vs tors. theta energy: -102.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1360.936717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.936717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.936717 (E_RNA)
where:
Base-Base interactions energy: -778.301
where: short stacking energy: -373.616
Base-Backbone interact. energy: -1.065
local terms energy: -581.570346
where:
bonds (distance) C4'-P energy: -140.751
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -130.982
flat angles P-C4'-P energy: -96.301
tors. eta vs tors. theta energy: -69.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -926.799778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.799778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.799778 (E_RNA)
where:
Base-Base interactions energy: -461.298
where: short stacking energy: -279.300
Base-Backbone interact. energy: 2.265
local terms energy: -467.767220
where:
bonds (distance) C4'-P energy: -135.280
bonds (distance) P-C4' energy: -134.979
flat angles C4'-P-C4' energy: -113.792
flat angles P-C4'-P energy: -58.191
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: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -781.790573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.790573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.790573 (E_RNA)
where:
Base-Base interactions energy: -392.385
where: short stacking energy: -219.670
Base-Backbone interact. energy: -0.980
local terms energy: -388.425288
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -115.449
flat angles C4'-P-C4' energy: -111.267
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: 4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2783.165337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.165337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.165337 (E_RNA)
where:
Base-Base interactions energy: -1931.489
where: short stacking energy: -774.937
Base-Backbone interact. energy: -2.497
local terms energy: -849.179484
where:
bonds (distance) C4'-P energy: -180.379
bonds (distance) P-C4' energy: -154.798
flat angles C4'-P-C4' energy: -183.455
flat angles P-C4'-P energy: -112.165
tors. eta vs tors. theta energy: -218.382
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2649.920059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.920059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.920059 (E_RNA)
where:
Base-Base interactions energy: -1845.804
where: short stacking energy: -791.147
Base-Backbone interact. energy: -3.705
local terms energy: -800.411107
where:
bonds (distance) C4'-P energy: -149.457
bonds (distance) P-C4' energy: -148.337
flat angles C4'-P-C4' energy: -185.807
flat angles P-C4'-P energy: -94.105
tors. eta vs tors. theta energy: -222.705
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: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2478.038076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.038076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.038076 (E_RNA)
where:
Base-Base interactions energy: -1677.011
where: short stacking energy: -735.354
Base-Backbone interact. energy: -3.411
local terms energy: -797.616177
where:
bonds (distance) C4'-P energy: -157.321
bonds (distance) P-C4' energy: -153.806
flat angles C4'-P-C4' energy: -161.174
flat angles P-C4'-P energy: -117.384
tors. eta vs tors. theta energy: -207.932
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: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2386.978935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.978935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.978935 (E_RNA)
where:
Base-Base interactions energy: -1596.671
where: short stacking energy: -726.223
Base-Backbone interact. energy: 3.722
local terms energy: -794.029755
where:
bonds (distance) C4'-P energy: -148.372
bonds (distance) P-C4' energy: -149.137
flat angles C4'-P-C4' energy: -163.685
flat angles P-C4'-P energy: -116.502
tors. eta vs tors. theta energy: -216.334
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: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2237.249561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.249561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.249561 (E_RNA)
where:
Base-Base interactions energy: -1504.814
where: short stacking energy: -638.686
Base-Backbone interact. energy: -3.087
local terms energy: -729.348313
where:
bonds (distance) C4'-P energy: -145.427
bonds (distance) P-C4' energy: -141.670
flat angles C4'-P-C4' energy: -161.921
flat angles P-C4'-P energy: -107.198
tors. eta vs tors. theta energy: -173.133
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: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2012.899593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.899593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.899593 (E_RNA)
where:
Base-Base interactions energy: -1322.628
where: short stacking energy: -594.148
Base-Backbone interact. energy: 0.878
local terms energy: -691.148915
where:
bonds (distance) C4'-P energy: -148.101
bonds (distance) P-C4' energy: -142.385
flat angles C4'-P-C4' energy: -146.384
flat angles P-C4'-P energy: -96.434
tors. eta vs tors. theta energy: -157.844
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: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1663.405473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.405473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.405473 (E_RNA)
where:
Base-Base interactions energy: -1073.166
where: short stacking energy: -474.118
Base-Backbone interact. energy: 4.306
local terms energy: -594.545877
where:
bonds (distance) C4'-P energy: -129.321
bonds (distance) P-C4' energy: -149.112
flat angles C4'-P-C4' energy: -144.842
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -83.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1310.154441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.154441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.154441 (E_RNA)
where:
Base-Base interactions energy: -785.152
where: short stacking energy: -377.815
Base-Backbone interact. energy: -3.956
local terms energy: -521.046380
where:
bonds (distance) C4'-P energy: -128.093
bonds (distance) P-C4' energy: -133.735
flat angles C4'-P-C4' energy: -115.241
flat angles P-C4'-P energy: -76.676
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: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -918.750853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.750853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.750853 (E_RNA)
where:
Base-Base interactions energy: -465.146
where: short stacking energy: -254.547
Base-Backbone interact. energy: -3.376
local terms energy: -450.228845
where:
bonds (distance) C4'-P energy: -137.216
bonds (distance) P-C4' energy: -125.197
flat angles C4'-P-C4' energy: -119.942
flat angles P-C4'-P energy: -56.366
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -817.051100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.051100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.051100 (E_RNA)
where:
Base-Base interactions energy: -401.414
where: short stacking energy: -232.122
Base-Backbone interact. energy: 2.648
local terms energy: -418.285150
where:
bonds (distance) C4'-P energy: -133.324
bonds (distance) P-C4' energy: -130.811
flat angles C4'-P-C4' energy: -107.791
flat angles P-C4'-P energy: -67.602
tors. eta vs tors. theta energy: 21.243
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: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2772.043282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.043282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.043282 (E_RNA)
where:
Base-Base interactions energy: -1914.597
where: short stacking energy: -796.944
Base-Backbone interact. energy: -3.892
local terms energy: -853.553902
where:
bonds (distance) C4'-P energy: -162.410
bonds (distance) P-C4' energy: -159.708
flat angles C4'-P-C4' energy: -176.254
flat angles P-C4'-P energy: -141.696
tors. eta vs tors. theta energy: -213.486
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2638.966422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.966422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.966422 (E_RNA)
where:
Base-Base interactions energy: -1835.546
where: short stacking energy: -767.313
Base-Backbone interact. energy: -3.147
local terms energy: -800.273000
where:
bonds (distance) C4'-P energy: -128.978
bonds (distance) P-C4' energy: -163.338
flat angles C4'-P-C4' energy: -179.820
flat angles P-C4'-P energy: -115.763
tors. eta vs tors. theta energy: -212.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2489.608712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.608712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.608712 (E_RNA)
where:
Base-Base interactions energy: -1715.461
where: short stacking energy: -699.032
Base-Backbone interact. energy: 4.272
local terms energy: -778.420420
where:
bonds (distance) C4'-P energy: -140.686
bonds (distance) P-C4' energy: -155.054
flat angles C4'-P-C4' energy: -168.942
flat angles P-C4'-P energy: -107.612
tors. eta vs tors. theta energy: -206.127
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2389.526786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.526786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.526786 (E_RNA)
where:
Base-Base interactions energy: -1583.435
where: short stacking energy: -712.992
Base-Backbone interact. energy: -4.203
local terms energy: -801.889383
where:
bonds (distance) C4'-P energy: -157.380
bonds (distance) P-C4' energy: -158.869
flat angles C4'-P-C4' energy: -174.425
flat angles P-C4'-P energy: -106.147
tors. eta vs tors. theta energy: -205.068
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: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2227.156046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.156046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.156046 (E_RNA)
where:
Base-Base interactions energy: -1520.808
where: short stacking energy: -639.824
Base-Backbone interact. energy: -2.612
local terms energy: -703.736506
where:
bonds (distance) C4'-P energy: -126.977
bonds (distance) P-C4' energy: -129.976
flat angles C4'-P-C4' energy: -171.676
flat angles P-C4'-P energy: -100.051
tors. eta vs tors. theta energy: -175.056
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: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1963.017064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.017064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.017064 (E_RNA)
where:
Base-Base interactions energy: -1281.122
where: short stacking energy: -590.605
Base-Backbone interact. energy: 0.680
local terms energy: -682.574474
where:
bonds (distance) C4'-P energy: -135.513
bonds (distance) P-C4' energy: -137.441
flat angles C4'-P-C4' energy: -157.596
flat angles P-C4'-P energy: -89.198
tors. eta vs tors. theta energy: -162.827
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: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1681.701149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.701149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.701149 (E_RNA)
where:
Base-Base interactions energy: -1065.794
where: short stacking energy: -498.072
Base-Backbone interact. energy: 1.264
local terms energy: -617.171470
where:
bonds (distance) C4'-P energy: -137.276
bonds (distance) P-C4' energy: -141.141
flat angles C4'-P-C4' energy: -139.740
flat angles P-C4'-P energy: -84.178
tors. eta vs tors. theta energy: -114.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1358.320011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.320011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.320011 (E_RNA)
where:
Base-Base interactions energy: -795.413
where: short stacking energy: -367.537
Base-Backbone interact. energy: -2.345
local terms energy: -560.561429
where:
bonds (distance) C4'-P energy: -124.607
bonds (distance) P-C4' energy: -160.089
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -86.628
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -961.067203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.067203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.067203 (E_RNA)
where:
Base-Base interactions energy: -486.887
where: short stacking energy: -267.405
Base-Backbone interact. energy: 7.437
local terms energy: -481.616900
where:
bonds (distance) C4'-P energy: -139.412
bonds (distance) P-C4' energy: -127.692
flat angles C4'-P-C4' energy: -123.677
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -934.489334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.489334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.489334 (E_RNA)
where:
Base-Base interactions energy: -492.619
where: short stacking energy: -258.850
Base-Backbone interact. energy: 5.124
local terms energy: -446.994537
where:
bonds (distance) C4'-P energy: -138.937
bonds (distance) P-C4' energy: -145.019
flat angles C4'-P-C4' energy: -100.849
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2774.925463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.925463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.925463 (E_RNA)
where:
Base-Base interactions energy: -1932.195
where: short stacking energy: -760.232
Base-Backbone interact. energy: -4.854
local terms energy: -837.876880
where:
bonds (distance) C4'-P energy: -168.204
bonds (distance) P-C4' energy: -166.761
flat angles C4'-P-C4' energy: -182.423
flat angles P-C4'-P energy: -108.443
tors. eta vs tors. theta energy: -212.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2662.893260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.893260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.893260 (E_RNA)
where:
Base-Base interactions energy: -1846.425
where: short stacking energy: -762.729
Base-Backbone interact. energy: -5.707
local terms energy: -811.053775
where:
bonds (distance) C4'-P energy: -162.886
bonds (distance) P-C4' energy: -152.753
flat angles C4'-P-C4' energy: -176.540
flat angles P-C4'-P energy: -101.001
tors. eta vs tors. theta energy: -217.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.292 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2492.780720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.780720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.780720 (E_RNA)
where:
Base-Base interactions energy: -1712.687
where: short stacking energy: -725.761
Base-Backbone interact. energy: 1.532
local terms energy: -781.625487
where:
bonds (distance) C4'-P energy: -148.985
bonds (distance) P-C4' energy: -153.214
flat angles C4'-P-C4' energy: -157.578
flat angles P-C4'-P energy: -111.809
tors. eta vs tors. theta energy: -210.039
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: 271
Temperature: 1.050000
Total energy: -2374.650400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.650400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.650400 (E_RNA)
where:
Base-Base interactions energy: -1619.773
where: short stacking energy: -711.340
Base-Backbone interact. energy: 0.105
local terms energy: -754.982004
where:
bonds (distance) C4'-P energy: -147.691
bonds (distance) P-C4' energy: -127.537
flat angles C4'-P-C4' energy: -170.933
flat angles P-C4'-P energy: -88.892
tors. eta vs tors. theta energy: -219.928
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2285.738103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.738103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.738103 (E_RNA)
where:
Base-Base interactions energy: -1531.823
where: short stacking energy: -638.374
Base-Backbone interact. energy: -4.074
local terms energy: -749.840550
where:
bonds (distance) C4'-P energy: -153.702
bonds (distance) P-C4' energy: -159.149
flat angles C4'-P-C4' energy: -149.588
flat angles P-C4'-P energy: -97.863
tors. eta vs tors. theta energy: -189.538
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: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1942.050823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.050823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.050823 (E_RNA)
where:
Base-Base interactions energy: -1260.083
where: short stacking energy: -568.445
Base-Backbone interact. energy: -0.401
local terms energy: -681.566698
where:
bonds (distance) C4'-P energy: -134.743
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -157.922
flat angles P-C4'-P energy: -95.675
tors. eta vs tors. theta energy: -155.398
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: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1654.235177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.235177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.235177 (E_RNA)
where:
Base-Base interactions energy: -1034.519
where: short stacking energy: -451.511
Base-Backbone interact. energy: -2.467
local terms energy: -617.249451
where:
bonds (distance) C4'-P energy: -132.379
bonds (distance) P-C4' energy: -165.123
flat angles C4'-P-C4' energy: -137.978
flat angles P-C4'-P energy: -89.598
tors. eta vs tors. theta energy: -92.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1332.728600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.728600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.728600 (E_RNA)
where:
Base-Base interactions energy: -794.499
where: short stacking energy: -377.479
Base-Backbone interact. energy: -2.193
local terms energy: -536.036777
where:
bonds (distance) C4'-P energy: -119.026
bonds (distance) P-C4' energy: -145.363
flat angles C4'-P-C4' energy: -144.507
flat angles P-C4'-P energy: -59.779
tors. eta vs tors. theta energy: -67.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -970.977058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.977058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.977058 (E_RNA)
where:
Base-Base interactions energy: -527.198
where: short stacking energy: -292.759
Base-Backbone interact. energy: 6.829
local terms energy: -450.607593
where:
bonds (distance) C4'-P energy: -131.799
bonds (distance) P-C4' energy: -106.524
flat angles C4'-P-C4' energy: -121.188
flat angles P-C4'-P energy: -78.469
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1011.279710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.279710 (E_RNA)
where:
Base-Base interactions energy: -577.865
where: short stacking energy: -289.669
Base-Backbone interact. energy: -0.489
local terms energy: -434.905754
where:
bonds (distance) C4'-P energy: -107.118
bonds (distance) P-C4' energy: -147.311
flat angles C4'-P-C4' energy: -100.795
flat angles P-C4'-P energy: -63.685
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: 1.981 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2772.140867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.140867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.140867 (E_RNA)
where:
Base-Base interactions energy: -1943.120
where: short stacking energy: -778.582
Base-Backbone interact. energy: -1.474
local terms energy: -827.546662
where:
bonds (distance) C4'-P energy: -165.972
bonds (distance) P-C4' energy: -168.204
flat angles C4'-P-C4' energy: -176.045
flat angles P-C4'-P energy: -121.157
tors. eta vs tors. theta energy: -196.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2631.865851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.865851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.865851 (E_RNA)
where:
Base-Base interactions energy: -1830.447
where: short stacking energy: -773.991
Base-Backbone interact. energy: -0.028
local terms energy: -801.390899
where:
bonds (distance) C4'-P energy: -155.244
bonds (distance) P-C4' energy: -161.121
flat angles C4'-P-C4' energy: -167.586
flat angles P-C4'-P energy: -108.736
tors. eta vs tors. theta energy: -208.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2505.261692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.261692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.261692 (E_RNA)
where:
Base-Base interactions energy: -1720.232
where: short stacking energy: -725.912
Base-Backbone interact. energy: -3.413
local terms energy: -781.616548
where:
bonds (distance) C4'-P energy: -139.226
bonds (distance) P-C4' energy: -158.396
flat angles C4'-P-C4' energy: -160.291
flat angles P-C4'-P energy: -104.400
tors. eta vs tors. theta energy: -219.303
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: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2420.971813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.971813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.971813 (E_RNA)
where:
Base-Base interactions energy: -1608.564
where: short stacking energy: -738.141
Base-Backbone interact. energy: -1.536
local terms energy: -810.871551
where:
bonds (distance) C4'-P energy: -152.456
bonds (distance) P-C4' energy: -154.562
flat angles C4'-P-C4' energy: -166.224
flat angles P-C4'-P energy: -114.913
tors. eta vs tors. theta energy: -222.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2249.340956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.340956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.340956 (E_RNA)
where:
Base-Base interactions energy: -1496.224
where: short stacking energy: -640.065
Base-Backbone interact. energy: 3.601
local terms energy: -756.717533
where:
bonds (distance) C4'-P energy: -146.779
bonds (distance) P-C4' energy: -133.549
flat angles C4'-P-C4' energy: -170.549
flat angles P-C4'-P energy: -115.323
tors. eta vs tors. theta energy: -190.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1978.183285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.183285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.183285 (E_RNA)
where:
Base-Base interactions energy: -1298.818
where: short stacking energy: -537.538
Base-Backbone interact. energy: 1.028
local terms energy: -681.399435
where:
bonds (distance) C4'-P energy: -139.514
bonds (distance) P-C4' energy: -151.566
flat angles C4'-P-C4' energy: -152.267
flat angles P-C4'-P energy: -96.741
tors. eta vs tors. theta energy: -141.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.007 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1694.964674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.964674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.964674 (E_RNA)
where:
Base-Base interactions energy: -1101.334
where: short stacking energy: -474.553
Base-Backbone interact. energy: -1.478
local terms energy: -592.152948
where:
bonds (distance) C4'-P energy: -139.791
bonds (distance) P-C4' energy: -138.469
flat angles C4'-P-C4' energy: -123.313
flat angles P-C4'-P energy: -74.624
tors. eta vs tors. theta energy: -115.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1342.794323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.794323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.794323 (E_RNA)
where:
Base-Base interactions energy: -815.982
where: short stacking energy: -402.497
Base-Backbone interact. energy: 2.392
local terms energy: -529.204069
where:
bonds (distance) C4'-P energy: -122.271
bonds (distance) P-C4' energy: -136.723
flat angles C4'-P-C4' energy: -119.859
flat angles P-C4'-P energy: -83.472
tors. eta vs tors. theta energy: -66.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -986.527137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.527137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.527137 (E_RNA)
where:
Base-Base interactions energy: -500.476
where: short stacking energy: -257.273
Base-Backbone interact. energy: -3.671
local terms energy: -482.380800
where:
bonds (distance) C4'-P energy: -133.335
bonds (distance) P-C4' energy: -132.866
flat angles C4'-P-C4' energy: -135.106
flat angles P-C4'-P energy: -69.813
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -984.025529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.025529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.025529 (E_RNA)
where:
Base-Base interactions energy: -512.368
where: short stacking energy: -261.108
Base-Backbone interact. energy: -2.173
local terms energy: -469.484804
where:
bonds (distance) C4'-P energy: -141.532
bonds (distance) P-C4' energy: -128.597
flat angles C4'-P-C4' energy: -112.690
flat angles P-C4'-P energy: -83.824
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2783.134794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.134794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.134794 (E_RNA)
where:
Base-Base interactions energy: -1933.127
where: short stacking energy: -820.500
Base-Backbone interact. energy: -2.990
local terms energy: -847.018477
where:
bonds (distance) C4'-P energy: -151.777
bonds (distance) P-C4' energy: -153.041
flat angles C4'-P-C4' energy: -193.992
flat angles P-C4'-P energy: -121.257
tors. eta vs tors. theta energy: -226.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2596.090265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.090265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.090265 (E_RNA)
where:
Base-Base interactions energy: -1756.893
where: short stacking energy: -740.157
Base-Backbone interact. energy: 3.329
local terms energy: -842.526420
where:
bonds (distance) C4'-P energy: -170.545
bonds (distance) P-C4' energy: -173.812
flat angles C4'-P-C4' energy: -174.044
flat angles P-C4'-P energy: -114.674
tors. eta vs tors. theta energy: -209.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2532.791052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.791052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.791052 (E_RNA)
where:
Base-Base interactions energy: -1719.350
where: short stacking energy: -727.916
Base-Backbone interact. energy: -3.281
local terms energy: -810.160121
where:
bonds (distance) C4'-P energy: -157.150
bonds (distance) P-C4' energy: -142.095
flat angles C4'-P-C4' energy: -181.351
flat angles P-C4'-P energy: -116.305
tors. eta vs tors. theta energy: -213.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2409.736200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.736200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.736200 (E_RNA)
where:
Base-Base interactions energy: -1618.670
where: short stacking energy: -755.386
Base-Backbone interact. energy: -0.345
local terms energy: -790.721164
where:
bonds (distance) C4'-P energy: -115.550
bonds (distance) P-C4' energy: -146.763
flat angles C4'-P-C4' energy: -180.913
flat angles P-C4'-P energy: -113.224
tors. eta vs tors. theta energy: -234.272
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2249.647803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.647803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.647803 (E_RNA)
where:
Base-Base interactions energy: -1527.458
where: short stacking energy: -630.107
Base-Backbone interact. energy: -2.994
local terms energy: -719.195669
where:
bonds (distance) C4'-P energy: -147.992
bonds (distance) P-C4' energy: -154.649
flat angles C4'-P-C4' energy: -156.648
flat angles P-C4'-P energy: -89.621
tors. eta vs tors. theta energy: -170.285
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: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1923.878943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.878943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.878943 (E_RNA)
where:
Base-Base interactions energy: -1251.723
where: short stacking energy: -574.060
Base-Backbone interact. energy: -2.044
local terms energy: -670.111744
where:
bonds (distance) C4'-P energy: -153.326
bonds (distance) P-C4' energy: -143.906
flat angles C4'-P-C4' energy: -128.986
flat angles P-C4'-P energy: -90.078
tors. eta vs tors. theta energy: -153.816
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1691.719618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.719618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.719618 (E_RNA)
where:
Base-Base interactions energy: -1089.572
where: short stacking energy: -512.288
Base-Backbone interact. energy: 1.000
local terms energy: -603.147263
where:
bonds (distance) C4'-P energy: -153.877
bonds (distance) P-C4' energy: -134.564
flat angles C4'-P-C4' energy: -125.711
flat angles P-C4'-P energy: -81.453
tors. eta vs tors. theta energy: -107.543
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1331.479399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.479399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.479399 (E_RNA)
where:
Base-Base interactions energy: -803.888
where: short stacking energy: -384.452
Base-Backbone interact. energy: 1.551
local terms energy: -529.142120
where:
bonds (distance) C4'-P energy: -127.277
bonds (distance) P-C4' energy: -151.341
flat angles C4'-P-C4' energy: -104.849
flat angles P-C4'-P energy: -92.385
tors. eta vs tors. theta energy: -53.289
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -996.317346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.317346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.317346 (E_RNA)
where:
Base-Base interactions energy: -518.824
where: short stacking energy: -302.408
Base-Backbone interact. energy: -1.746
local terms energy: -475.888218
where:
bonds (distance) C4'-P energy: -137.236
bonds (distance) P-C4' energy: -145.532
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -960.036864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.036864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.036864 (E_RNA)
where:
Base-Base interactions energy: -514.458
where: short stacking energy: -248.680
Base-Backbone interact. energy: 2.572
local terms energy: -448.150738
where:
bonds (distance) C4'-P energy: -143.601
bonds (distance) P-C4' energy: -128.613
flat angles C4'-P-C4' energy: -123.835
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: 19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2810.068502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.068502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.068502 (E_RNA)
where:
Base-Base interactions energy: -1949.672
where: short stacking energy: -804.716
Base-Backbone interact. energy: -3.352
local terms energy: -857.044230
where:
bonds (distance) C4'-P energy: -154.384
bonds (distance) P-C4' energy: -170.145
flat angles C4'-P-C4' energy: -188.941
flat angles P-C4'-P energy: -124.738
tors. eta vs tors. theta energy: -218.838
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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2562.282955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.282955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.282955 (E_RNA)
where:
Base-Base interactions energy: -1767.822
where: short stacking energy: -743.186
Base-Backbone interact. energy: -0.252
local terms energy: -794.208667
where:
bonds (distance) C4'-P energy: -151.211
bonds (distance) P-C4' energy: -138.353
flat angles C4'-P-C4' energy: -185.476
flat angles P-C4'-P energy: -121.175
tors. eta vs tors. theta energy: -197.994
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: 274
Temperature: 1.000000
Total energy: -2508.341526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.341526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.341526 (E_RNA)
where:
Base-Base interactions energy: -1693.934
where: short stacking energy: -717.072
Base-Backbone interact. energy: -2.253
local terms energy: -812.154027
where:
bonds (distance) C4'-P energy: -151.332
bonds (distance) P-C4' energy: -160.640
flat angles C4'-P-C4' energy: -174.696
flat angles P-C4'-P energy: -108.295
tors. eta vs tors. theta energy: -217.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2371.181786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.181786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.181786 (E_RNA)
where:
Base-Base interactions energy: -1580.874
where: short stacking energy: -704.005
Base-Backbone interact. energy: 0.697
local terms energy: -791.004787
where:
bonds (distance) C4'-P energy: -152.716
bonds (distance) P-C4' energy: -136.978
flat angles C4'-P-C4' energy: -177.529
flat angles P-C4'-P energy: -111.639
tors. eta vs tors. theta energy: -212.143
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: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2231.259101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.259101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.259101 (E_RNA)
where:
Base-Base interactions energy: -1506.199
where: short stacking energy: -612.287
Base-Backbone interact. energy: -2.778
local terms energy: -722.282421
where:
bonds (distance) C4'-P energy: -147.480
bonds (distance) P-C4' energy: -146.868
flat angles C4'-P-C4' energy: -161.927
flat angles P-C4'-P energy: -94.919
tors. eta vs tors. theta energy: -171.089
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: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2025.896433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.896433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.896433 (E_RNA)
where:
Base-Base interactions energy: -1327.510
where: short stacking energy: -584.867
Base-Backbone interact. energy: 0.873
local terms energy: -699.259854
where:
bonds (distance) C4'-P energy: -145.728
bonds (distance) P-C4' energy: -149.317
flat angles C4'-P-C4' energy: -147.503
flat angles P-C4'-P energy: -89.210
tors. eta vs tors. theta energy: -167.503
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1702.626953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.626953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.626953 (E_RNA)
where:
Base-Base interactions energy: -1106.849
where: short stacking energy: -466.468
Base-Backbone interact. energy: 0.434
local terms energy: -596.212257
where:
bonds (distance) C4'-P energy: -137.986
bonds (distance) P-C4' energy: -132.660
flat angles C4'-P-C4' energy: -139.826
flat angles P-C4'-P energy: -97.512
tors. eta vs tors. theta energy: -88.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1316.305491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.305491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.305491 (E_RNA)
where:
Base-Base interactions energy: -784.079
where: short stacking energy: -360.994
Base-Backbone interact. energy: 0.517
local terms energy: -532.743014
where:
bonds (distance) C4'-P energy: -124.950
bonds (distance) P-C4' energy: -142.102
flat angles C4'-P-C4' energy: -112.997
flat angles P-C4'-P energy: -99.550
tors. eta vs tors. theta energy: -53.144
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -991.011814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.011814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.011814 (E_RNA)
where:
Base-Base interactions energy: -529.120
where: short stacking energy: -262.359
Base-Backbone interact. energy: 2.135
local terms energy: -464.027430
where:
bonds (distance) C4'-P energy: -133.528
bonds (distance) P-C4' energy: -126.083
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -68.959
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -842.071363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.071363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.071363 (E_RNA)
where:
Base-Base interactions energy: -416.344
where: short stacking energy: -213.427
Base-Backbone interact. energy: 0.539
local terms energy: -426.267159
where:
bonds (distance) C4'-P energy: -137.585
bonds (distance) P-C4' energy: -114.518
flat angles C4'-P-C4' energy: -101.040
flat angles P-C4'-P energy: -71.849
tors. eta vs tors. theta energy: -1.275
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: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2776.795690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.795690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.795690 (E_RNA)
where:
Base-Base interactions energy: -1938.151
where: short stacking energy: -792.257
Base-Backbone interact. energy: -3.679
local terms energy: -834.965047
where:
bonds (distance) C4'-P energy: -159.816
bonds (distance) P-C4' energy: -165.747
flat angles C4'-P-C4' energy: -181.939
flat angles P-C4'-P energy: -115.311
tors. eta vs tors. theta energy: -212.152
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: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2547.907003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.907003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.907003 (E_RNA)
where:
Base-Base interactions energy: -1710.742
where: short stacking energy: -728.012
Base-Backbone interact. energy: -1.979
local terms energy: -835.186225
where:
bonds (distance) C4'-P energy: -146.289
bonds (distance) P-C4' energy: -162.415
flat angles C4'-P-C4' energy: -190.119
flat angles P-C4'-P energy: -122.769
tors. eta vs tors. theta energy: -213.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2500.412584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.412584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.412584 (E_RNA)
where:
Base-Base interactions energy: -1691.202
where: short stacking energy: -720.211
Base-Backbone interact. energy: -2.383
local terms energy: -806.827849
where:
bonds (distance) C4'-P energy: -161.358
bonds (distance) P-C4' energy: -143.494
flat angles C4'-P-C4' energy: -182.699
flat angles P-C4'-P energy: -103.115
tors. eta vs tors. theta energy: -216.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2414.162233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.162233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.162233 (E_RNA)
where:
Base-Base interactions energy: -1635.432
where: short stacking energy: -743.515
Base-Backbone interact. energy: -0.523
local terms energy: -778.208065
where:
bonds (distance) C4'-P energy: -125.280
bonds (distance) P-C4' energy: -153.801
flat angles C4'-P-C4' energy: -179.744
flat angles P-C4'-P energy: -100.549
tors. eta vs tors. theta energy: -218.834
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: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2291.826177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.826177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.826177 (E_RNA)
where:
Base-Base interactions energy: -1541.365
where: short stacking energy: -651.544
Base-Backbone interact. energy: 3.627
local terms energy: -754.088503
where:
bonds (distance) C4'-P energy: -145.141
bonds (distance) P-C4' energy: -135.422
flat angles C4'-P-C4' energy: -161.222
flat angles P-C4'-P energy: -113.812
tors. eta vs tors. theta energy: -198.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2025.092346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.092346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.092346 (E_RNA)
where:
Base-Base interactions energy: -1348.432
where: short stacking energy: -594.352
Base-Backbone interact. energy: -1.169
local terms energy: -675.491561
where:
bonds (distance) C4'-P energy: -127.599
bonds (distance) P-C4' energy: -144.832
flat angles C4'-P-C4' energy: -147.251
flat angles P-C4'-P energy: -98.474
tors. eta vs tors. theta energy: -157.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1749.359293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.359293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.359293 (E_RNA)
where:
Base-Base interactions energy: -1116.756
where: short stacking energy: -506.229
Base-Backbone interact. energy: 0.482
local terms energy: -633.085942
where:
bonds (distance) C4'-P energy: -146.088
bonds (distance) P-C4' energy: -144.682
flat angles C4'-P-C4' energy: -145.154
flat angles P-C4'-P energy: -84.342
tors. eta vs tors. theta energy: -112.820
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1348.045649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.045649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.045649 (E_RNA)
where:
Base-Base interactions energy: -823.641
where: short stacking energy: -383.780
Base-Backbone interact. energy: -1.495
local terms energy: -522.909935
where:
bonds (distance) C4'-P energy: -133.034
bonds (distance) P-C4' energy: -147.451
flat angles C4'-P-C4' energy: -98.742
flat angles P-C4'-P energy: -81.141
tors. eta vs tors. theta energy: -62.541
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: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1029.759840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.759840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.759840 (E_RNA)
where:
Base-Base interactions energy: -544.753
where: short stacking energy: -273.934
Base-Backbone interact. energy: -4.087
local terms energy: -480.919482
where:
bonds (distance) C4'-P energy: -130.156
bonds (distance) P-C4' energy: -136.258
flat angles C4'-P-C4' energy: -107.440
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -825.449924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.449924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.449924 (E_RNA)
where:
Base-Base interactions energy: -406.201
where: short stacking energy: -203.153
Base-Backbone interact. energy: 0.626
local terms energy: -419.874433
where:
bonds (distance) C4'-P energy: -104.693
bonds (distance) P-C4' energy: -139.025
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2739.525927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.525927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.525927 (E_RNA)
where:
Base-Base interactions energy: -1887.080
where: short stacking energy: -767.250
Base-Backbone interact. energy: 4.604
local terms energy: -857.049788
where:
bonds (distance) C4'-P energy: -165.652
bonds (distance) P-C4' energy: -176.856
flat angles C4'-P-C4' energy: -188.303
flat angles P-C4'-P energy: -121.545
tors. eta vs tors. theta energy: -204.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2562.031499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.031499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.031499 (E_RNA)
where:
Base-Base interactions energy: -1758.680
where: short stacking energy: -717.597
Base-Backbone interact. energy: -0.187
local terms energy: -803.165182
where:
bonds (distance) C4'-P energy: -158.358
bonds (distance) P-C4' energy: -152.534
flat angles C4'-P-C4' energy: -181.991
flat angles P-C4'-P energy: -106.326
tors. eta vs tors. theta energy: -203.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2487.519485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.519485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.519485 (E_RNA)
where:
Base-Base interactions energy: -1715.515
where: short stacking energy: -749.266
Base-Backbone interact. energy: 0.605
local terms energy: -772.608717
where:
bonds (distance) C4'-P energy: -160.013
bonds (distance) P-C4' energy: -148.847
flat angles C4'-P-C4' energy: -157.667
flat angles P-C4'-P energy: -109.558
tors. eta vs tors. theta energy: -196.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2371.512667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.512667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.512667 (E_RNA)
where:
Base-Base interactions energy: -1592.855
where: short stacking energy: -708.853
Base-Backbone interact. energy: 2.690
local terms energy: -781.650353
where:
bonds (distance) C4'-P energy: -139.523
bonds (distance) P-C4' energy: -157.640
flat angles C4'-P-C4' energy: -172.614
flat angles P-C4'-P energy: -113.058
tors. eta vs tors. theta energy: -198.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2254.796273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.796273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.796273 (E_RNA)
where:
Base-Base interactions energy: -1543.273
where: short stacking energy: -640.822
Base-Backbone interact. energy: -1.135
local terms energy: -710.388977
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -139.506
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -118.390
tors. eta vs tors. theta energy: -168.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1961.186103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.186103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.186103 (E_RNA)
where:
Base-Base interactions energy: -1281.330
where: short stacking energy: -571.460
Base-Backbone interact. energy: -3.055
local terms energy: -676.800244
where:
bonds (distance) C4'-P energy: -132.940
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -160.069
flat angles P-C4'-P energy: -95.344
tors. eta vs tors. theta energy: -155.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1713.588187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.588187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.588187 (E_RNA)
where:
Base-Base interactions energy: -1115.214
where: short stacking energy: -489.921
Base-Backbone interact. energy: 3.703
local terms energy: -602.077238
where:
bonds (distance) C4'-P energy: -125.326
bonds (distance) P-C4' energy: -144.433
flat angles C4'-P-C4' energy: -135.586
flat angles P-C4'-P energy: -90.925
tors. eta vs tors. theta energy: -105.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1273.206472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.206472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.206472 (E_RNA)
where:
Base-Base interactions energy: -746.073
where: short stacking energy: -354.875
Base-Backbone interact. energy: 4.504
local terms energy: -531.637961
where:
bonds (distance) C4'-P energy: -138.507
bonds (distance) P-C4' energy: -167.787
flat angles C4'-P-C4' energy: -120.309
flat angles P-C4'-P energy: -67.371
tors. eta vs tors. theta energy: -37.665
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: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1074.774883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.774883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.774883 (E_RNA)
where:
Base-Base interactions energy: -594.158
where: short stacking energy: -339.294
Base-Backbone interact. energy: 10.117
local terms energy: -490.733350
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -98.724
flat angles P-C4'-P energy: -88.323
tors. eta vs tors. theta energy: -44.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -793.314722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.314722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.314722 (E_RNA)
where:
Base-Base interactions energy: -360.212
where: short stacking energy: -230.391
Base-Backbone interact. energy: 7.132
local terms energy: -440.234549
where:
bonds (distance) C4'-P energy: -115.581
bonds (distance) P-C4' energy: -143.670
flat angles C4'-P-C4' energy: -113.520
flat angles P-C4'-P energy: -55.962
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2758.607124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.607124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.607124 (E_RNA)
where:
Base-Base interactions energy: -1904.715
where: short stacking energy: -759.820
Base-Backbone interact. energy: -2.107
local terms energy: -851.785477
where:
bonds (distance) C4'-P energy: -166.289
bonds (distance) P-C4' energy: -164.718
flat angles C4'-P-C4' energy: -178.932
flat angles P-C4'-P energy: -116.774
tors. eta vs tors. theta energy: -225.072
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: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2579.019565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.019565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.019565 (E_RNA)
where:
Base-Base interactions energy: -1768.820
where: short stacking energy: -729.601
Base-Backbone interact. energy: -4.120
local terms energy: -806.079399
where:
bonds (distance) C4'-P energy: -152.888
bonds (distance) P-C4' energy: -164.870
flat angles C4'-P-C4' energy: -157.692
flat angles P-C4'-P energy: -119.131
tors. eta vs tors. theta energy: -211.499
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2487.327101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.327101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.327101 (E_RNA)
where:
Base-Base interactions energy: -1712.323
where: short stacking energy: -726.966
Base-Backbone interact. energy: -4.103
local terms energy: -770.900877
where:
bonds (distance) C4'-P energy: -152.889
bonds (distance) P-C4' energy: -149.357
flat angles C4'-P-C4' energy: -171.956
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -204.856
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2348.521651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.521651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.521651 (E_RNA)
where:
Base-Base interactions energy: -1599.364
where: short stacking energy: -714.348
Base-Backbone interact. energy: 2.154
local terms energy: -751.312090
where:
bonds (distance) C4'-P energy: -137.567
bonds (distance) P-C4' energy: -141.633
flat angles C4'-P-C4' energy: -166.203
flat angles P-C4'-P energy: -102.828
tors. eta vs tors. theta energy: -203.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2243.243872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.243872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.243872 (E_RNA)
where:
Base-Base interactions energy: -1532.763
where: short stacking energy: -624.386
Base-Backbone interact. energy: -1.924
local terms energy: -708.557635
where:
bonds (distance) C4'-P energy: -141.937
bonds (distance) P-C4' energy: -140.148
flat angles C4'-P-C4' energy: -149.497
flat angles P-C4'-P energy: -106.581
tors. eta vs tors. theta energy: -170.395
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: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1985.548702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.548702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.548702 (E_RNA)
where:
Base-Base interactions energy: -1302.609
where: short stacking energy: -559.434
Base-Backbone interact. energy: -3.408
local terms energy: -679.531383
where:
bonds (distance) C4'-P energy: -138.827
bonds (distance) P-C4' energy: -145.370
flat angles C4'-P-C4' energy: -159.883
flat angles P-C4'-P energy: -90.618
tors. eta vs tors. theta energy: -144.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1728.771898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.771898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.771898 (E_RNA)
where:
Base-Base interactions energy: -1118.860
where: short stacking energy: -494.770
Base-Backbone interact. energy: -0.452
local terms energy: -609.460261
where:
bonds (distance) C4'-P energy: -142.281
bonds (distance) P-C4' energy: -126.432
flat angles C4'-P-C4' energy: -142.355
flat angles P-C4'-P energy: -81.909
tors. eta vs tors. theta energy: -116.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1402.156069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.156069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.156069 (E_RNA)
where:
Base-Base interactions energy: -823.291
where: short stacking energy: -378.521
Base-Backbone interact. energy: -2.101
local terms energy: -576.763556
where:
bonds (distance) C4'-P energy: -140.087
bonds (distance) P-C4' energy: -142.351
flat angles C4'-P-C4' energy: -137.600
flat angles P-C4'-P energy: -86.193
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: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1025.466547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.466547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.466547 (E_RNA)
where:
Base-Base interactions energy: -551.474
where: short stacking energy: -281.460
Base-Backbone interact. energy: -4.309
local terms energy: -469.683682
where:
bonds (distance) C4'-P energy: -128.688
bonds (distance) P-C4' energy: -132.007
flat angles C4'-P-C4' energy: -125.864
flat angles P-C4'-P energy: -78.725
tors. eta vs tors. theta energy: -4.400
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: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -775.236293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.236293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.236293 (E_RNA)
where:
Base-Base interactions energy: -390.496
where: short stacking energy: -207.225
Base-Backbone interact. energy: 2.654
local terms energy: -387.394744
where:
bonds (distance) C4'-P energy: -114.493
bonds (distance) P-C4' energy: -132.929
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -54.133
tors. eta vs tors. theta energy: 19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2734.077328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.077328 (E_RNA)
where:
Base-Base interactions energy: -1901.425
where: short stacking energy: -782.375
Base-Backbone interact. energy: -3.253
local terms energy: -829.398639
where:
bonds (distance) C4'-P energy: -156.446
bonds (distance) P-C4' energy: -166.670
flat angles C4'-P-C4' energy: -184.810
flat angles P-C4'-P energy: -106.718
tors. eta vs tors. theta energy: -214.755
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: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2592.609206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.609206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.609206 (E_RNA)
where:
Base-Base interactions energy: -1758.781
where: short stacking energy: -728.858
Base-Backbone interact. energy: -2.744
local terms energy: -831.084743
where:
bonds (distance) C4'-P energy: -152.796
bonds (distance) P-C4' energy: -157.773
flat angles C4'-P-C4' energy: -187.133
flat angles P-C4'-P energy: -129.866
tors. eta vs tors. theta energy: -203.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2491.844958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.844958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.844958 (E_RNA)
where:
Base-Base interactions energy: -1720.212
where: short stacking energy: -731.467
Base-Backbone interact. energy: -2.057
local terms energy: -769.575307
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -152.575
flat angles C4'-P-C4' energy: -163.443
flat angles P-C4'-P energy: -108.163
tors. eta vs tors. theta energy: -213.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2425.110931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.110931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.110931 (E_RNA)
where:
Base-Base interactions energy: -1601.702
where: short stacking energy: -714.957
Base-Backbone interact. energy: -3.663
local terms energy: -819.746519
where:
bonds (distance) C4'-P energy: -156.855
bonds (distance) P-C4' energy: -154.053
flat angles C4'-P-C4' energy: -185.290
flat angles P-C4'-P energy: -111.527
tors. eta vs tors. theta energy: -212.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2296.450106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.450106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.450106 (E_RNA)
where:
Base-Base interactions energy: -1580.130
where: short stacking energy: -656.609
Base-Backbone interact. energy: 1.030
local terms energy: -717.349961
where:
bonds (distance) C4'-P energy: -140.095
bonds (distance) P-C4' energy: -139.237
flat angles C4'-P-C4' energy: -159.984
flat angles P-C4'-P energy: -96.486
tors. eta vs tors. theta energy: -181.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1987.385201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.385201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.385201 (E_RNA)
where:
Base-Base interactions energy: -1321.491
where: short stacking energy: -569.466
Base-Backbone interact. energy: -1.613
local terms energy: -664.281140
where:
bonds (distance) C4'-P energy: -132.942
bonds (distance) P-C4' energy: -144.842
flat angles C4'-P-C4' energy: -141.303
flat angles P-C4'-P energy: -99.421
tors. eta vs tors. theta energy: -145.773
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1787.300583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.300583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.300583 (E_RNA)
where:
Base-Base interactions energy: -1161.490
where: short stacking energy: -496.338
Base-Backbone interact. energy: -0.074
local terms energy: -625.736680
where:
bonds (distance) C4'-P energy: -135.242
bonds (distance) P-C4' energy: -140.592
flat angles C4'-P-C4' energy: -148.964
flat angles P-C4'-P energy: -84.493
tors. eta vs tors. theta energy: -116.446
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: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1453.037018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.037018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.037018 (E_RNA)
where:
Base-Base interactions energy: -878.761
where: short stacking energy: -391.261
Base-Backbone interact. energy: 4.357
local terms energy: -578.633300
where:
bonds (distance) C4'-P energy: -124.940
bonds (distance) P-C4' energy: -148.747
flat angles C4'-P-C4' energy: -138.244
flat angles P-C4'-P energy: -94.812
tors. eta vs tors. theta energy: -71.891
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: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -952.695474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.695474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.695474 (E_RNA)
where:
Base-Base interactions energy: -498.026
where: short stacking energy: -253.551
Base-Backbone interact. energy: -2.262
local terms energy: -452.407385
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -122.526
flat angles C4'-P-C4' energy: -119.407
flat angles P-C4'-P energy: -62.004
tors. eta vs tors. theta energy: -19.507
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: 278
Temperature: 1.350000
Total energy: -725.108351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.108351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.108351 (E_RNA)
where:
Base-Base interactions energy: -321.225
where: short stacking energy: -194.696
Base-Backbone interact. energy: 11.473
local terms energy: -415.356812
where:
bonds (distance) C4'-P energy: -125.878
bonds (distance) P-C4' energy: -131.118
flat angles C4'-P-C4' energy: -110.290
flat angles P-C4'-P energy: -60.873
tors. eta vs tors. theta energy: 12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2783.219907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.219907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.219907 (E_RNA)
where:
Base-Base interactions energy: -1913.145
where: short stacking energy: -780.782
Base-Backbone interact. energy: -2.315
local terms energy: -867.760591
where:
bonds (distance) C4'-P energy: -160.405
bonds (distance) P-C4' energy: -180.693
flat angles C4'-P-C4' energy: -172.200
flat angles P-C4'-P energy: -129.467
tors. eta vs tors. theta energy: -224.996
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: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2607.503931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.503931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.503931 (E_RNA)
where:
Base-Base interactions energy: -1795.770
where: short stacking energy: -751.351
Base-Backbone interact. energy: -4.105
local terms energy: -807.628782
where:
bonds (distance) C4'-P energy: -166.270
bonds (distance) P-C4' energy: -153.803
flat angles C4'-P-C4' energy: -166.986
flat angles P-C4'-P energy: -116.286
tors. eta vs tors. theta energy: -204.284
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: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2489.839227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.839227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.839227 (E_RNA)
where:
Base-Base interactions energy: -1687.211
where: short stacking energy: -733.846
Base-Backbone interact. energy: -4.251
local terms energy: -798.376269
where:
bonds (distance) C4'-P energy: -160.077
bonds (distance) P-C4' energy: -147.096
flat angles C4'-P-C4' energy: -163.793
flat angles P-C4'-P energy: -104.543
tors. eta vs tors. theta energy: -222.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2358.900526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.900526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.900526 (E_RNA)
where:
Base-Base interactions energy: -1568.909
where: short stacking energy: -710.432
Base-Backbone interact. energy: -1.949
local terms energy: -788.042123
where:
bonds (distance) C4'-P energy: -142.599
bonds (distance) P-C4' energy: -161.197
flat angles C4'-P-C4' energy: -163.192
flat angles P-C4'-P energy: -109.810
tors. eta vs tors. theta energy: -211.245
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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2348.728653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.728653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.728653 (E_RNA)
where:
Base-Base interactions energy: -1603.008
where: short stacking energy: -687.015
Base-Backbone interact. energy: -2.215
local terms energy: -743.505216
where:
bonds (distance) C4'-P energy: -148.590
bonds (distance) P-C4' energy: -153.691
flat angles C4'-P-C4' energy: -159.509
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -190.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2034.968000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.968000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.968000 (E_RNA)
where:
Base-Base interactions energy: -1336.687
where: short stacking energy: -574.666
Base-Backbone interact. energy: -0.082
local terms energy: -698.198836
where:
bonds (distance) C4'-P energy: -127.921
bonds (distance) P-C4' energy: -150.389
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -99.957
tors. eta vs tors. theta energy: -156.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1814.690412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.690412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.690412 (E_RNA)
where:
Base-Base interactions energy: -1208.153
where: short stacking energy: -514.364
Base-Backbone interact. energy: 1.458
local terms energy: -607.996055
where:
bonds (distance) C4'-P energy: -140.633
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -137.436
flat angles P-C4'-P energy: -101.631
tors. eta vs tors. theta energy: -121.334
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: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1472.663954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.663954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.663954 (E_RNA)
where:
Base-Base interactions energy: -929.473
where: short stacking energy: -420.549
Base-Backbone interact. energy: -0.168
local terms energy: -543.023156
where:
bonds (distance) C4'-P energy: -138.822
bonds (distance) P-C4' energy: -146.780
flat angles C4'-P-C4' energy: -94.997
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -84.723
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: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -922.266725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.266725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.266725 (E_RNA)
where:
Base-Base interactions energy: -465.656
where: short stacking energy: -230.852
Base-Backbone interact. energy: -0.395
local terms energy: -456.215709
where:
bonds (distance) C4'-P energy: -120.396
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -119.707
flat angles P-C4'-P energy: -79.716
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -766.768484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.768484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.768484 (E_RNA)
where:
Base-Base interactions energy: -356.286
where: short stacking energy: -232.648
Base-Backbone interact. energy: 0.787
local terms energy: -411.269864
where:
bonds (distance) C4'-P energy: -118.089
bonds (distance) P-C4' energy: -116.051
flat angles C4'-P-C4' energy: -127.851
flat angles P-C4'-P energy: -57.704
tors. eta vs tors. theta energy: 8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2767.658085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.658085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.658085 (E_RNA)
where:
Base-Base interactions energy: -1929.686
where: short stacking energy: -786.560
Base-Backbone interact. energy: 1.920
local terms energy: -839.892635
where:
bonds (distance) C4'-P energy: -156.178
bonds (distance) P-C4' energy: -164.374
flat angles C4'-P-C4' energy: -171.694
flat angles P-C4'-P energy: -121.215
tors. eta vs tors. theta energy: -226.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2619.555838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.555838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.555838 (E_RNA)
where:
Base-Base interactions energy: -1752.416
where: short stacking energy: -722.795
Base-Backbone interact. energy: -4.744
local terms energy: -862.440136
where:
bonds (distance) C4'-P energy: -173.651
bonds (distance) P-C4' energy: -168.103
flat angles C4'-P-C4' energy: -182.089
flat angles P-C4'-P energy: -127.541
tors. eta vs tors. theta energy: -211.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2578.839524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.839524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.839524 (E_RNA)
where:
Base-Base interactions energy: -1745.671
where: short stacking energy: -758.398
Base-Backbone interact. energy: -1.031
local terms energy: -832.137569
where:
bonds (distance) C4'-P energy: -155.146
bonds (distance) P-C4' energy: -162.099
flat angles C4'-P-C4' energy: -176.397
flat angles P-C4'-P energy: -119.046
tors. eta vs tors. theta energy: -219.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2377.611784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.611784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.611784 (E_RNA)
where:
Base-Base interactions energy: -1596.802
where: short stacking energy: -711.436
Base-Backbone interact. energy: -1.178
local terms energy: -779.631111
where:
bonds (distance) C4'-P energy: -138.425
bonds (distance) P-C4' energy: -144.472
flat angles C4'-P-C4' energy: -180.804
flat angles P-C4'-P energy: -97.345
tors. eta vs tors. theta energy: -218.585
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: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2282.541783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.541783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.541783 (E_RNA)
where:
Base-Base interactions energy: -1548.649
where: short stacking energy: -648.041
Base-Backbone interact. energy: -2.461
local terms energy: -731.431381
where:
bonds (distance) C4'-P energy: -110.410
bonds (distance) P-C4' energy: -153.803
flat angles C4'-P-C4' energy: -171.757
flat angles P-C4'-P energy: -113.293
tors. eta vs tors. theta energy: -182.168
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: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2024.729374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.729374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.729374 (E_RNA)
where:
Base-Base interactions energy: -1325.849
where: short stacking energy: -595.188
Base-Backbone interact. energy: -1.326
local terms energy: -697.554258
where:
bonds (distance) C4'-P energy: -133.296
bonds (distance) P-C4' energy: -141.324
flat angles C4'-P-C4' energy: -150.051
flat angles P-C4'-P energy: -117.596
tors. eta vs tors. theta energy: -155.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1720.744630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.744630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.744630 (E_RNA)
where:
Base-Base interactions energy: -1118.057
where: short stacking energy: -497.917
Base-Backbone interact. energy: 4.293
local terms energy: -606.980289
where:
bonds (distance) C4'-P energy: -140.780
bonds (distance) P-C4' energy: -145.192
flat angles C4'-P-C4' energy: -126.300
flat angles P-C4'-P energy: -78.628
tors. eta vs tors. theta energy: -116.080
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: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1416.153103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.153103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.153103 (E_RNA)
where:
Base-Base interactions energy: -860.044
where: short stacking energy: -416.286
Base-Backbone interact. energy: 0.987
local terms energy: -557.095947
where:
bonds (distance) C4'-P energy: -118.824
bonds (distance) P-C4' energy: -142.171
flat angles C4'-P-C4' energy: -143.451
flat angles P-C4'-P energy: -97.573
tors. eta vs tors. theta energy: -55.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -904.975169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.975169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.975169 (E_RNA)
where:
Base-Base interactions energy: -456.770
where: short stacking energy: -255.884
Base-Backbone interact. energy: -0.036
local terms energy: -448.169257
where:
bonds (distance) C4'-P energy: -127.158
bonds (distance) P-C4' energy: -139.226
flat angles C4'-P-C4' energy: -111.263
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -763.899536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.899536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.899536 (E_RNA)
where:
Base-Base interactions energy: -321.587
where: short stacking energy: -195.903
Base-Backbone interact. energy: 0.272
local terms energy: -442.585393
where:
bonds (distance) C4'-P energy: -124.601
bonds (distance) P-C4' energy: -135.993
flat angles C4'-P-C4' energy: -120.974
flat angles P-C4'-P energy: -85.383
tors. eta vs tors. theta energy: 24.366
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2757.623867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.623867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.623867 (E_RNA)
where:
Base-Base interactions energy: -1906.797
where: short stacking energy: -785.983
Base-Backbone interact. energy: 0.287
local terms energy: -851.114312
where:
bonds (distance) C4'-P energy: -171.102
bonds (distance) P-C4' energy: -165.442
flat angles C4'-P-C4' energy: -182.462
flat angles P-C4'-P energy: -113.160
tors. eta vs tors. theta energy: -218.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2621.001766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.001766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.001766 (E_RNA)
where:
Base-Base interactions energy: -1786.369
where: short stacking energy: -776.593
Base-Backbone interact. energy: -3.795
local terms energy: -830.838204
where:
bonds (distance) C4'-P energy: -146.792
bonds (distance) P-C4' energy: -154.648
flat angles C4'-P-C4' energy: -184.573
flat angles P-C4'-P energy: -109.690
tors. eta vs tors. theta energy: -235.135
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: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2509.755285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.755285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.755285 (E_RNA)
where:
Base-Base interactions energy: -1719.893
where: short stacking energy: -704.020
Base-Backbone interact. energy: -4.698
local terms energy: -785.163815
where:
bonds (distance) C4'-P energy: -148.831
bonds (distance) P-C4' energy: -153.221
flat angles C4'-P-C4' energy: -166.871
flat angles P-C4'-P energy: -116.124
tors. eta vs tors. theta energy: -200.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2418.868703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.868703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.868703 (E_RNA)
where:
Base-Base interactions energy: -1648.394
where: short stacking energy: -738.615
Base-Backbone interact. energy: -3.543
local terms energy: -766.931733
where:
bonds (distance) C4'-P energy: -131.285
bonds (distance) P-C4' energy: -137.066
flat angles C4'-P-C4' energy: -177.285
flat angles P-C4'-P energy: -92.059
tors. eta vs tors. theta energy: -229.238
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: 281
Temperature: 1.100000
Total energy: -2312.175700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.175700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.175700 (E_RNA)
where:
Base-Base interactions energy: -1536.638
where: short stacking energy: -663.364
Base-Backbone interact. energy: -4.185
local terms energy: -771.353076
where:
bonds (distance) C4'-P energy: -140.918
bonds (distance) P-C4' energy: -159.823
flat angles C4'-P-C4' energy: -164.890
flat angles P-C4'-P energy: -109.560
tors. eta vs tors. theta energy: -196.162
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: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2031.649801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.649801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.649801 (E_RNA)
where:
Base-Base interactions energy: -1362.228
where: short stacking energy: -588.157
Base-Backbone interact. energy: -2.212
local terms energy: -669.858912
where:
bonds (distance) C4'-P energy: -122.966
bonds (distance) P-C4' energy: -147.502
flat angles C4'-P-C4' energy: -144.071
flat angles P-C4'-P energy: -89.459
tors. eta vs tors. theta energy: -165.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.650 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1746.930807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.930807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.930807 (E_RNA)
where:
Base-Base interactions energy: -1112.087
where: short stacking energy: -500.313
Base-Backbone interact. energy: -3.622
local terms energy: -631.222392
where:
bonds (distance) C4'-P energy: -131.144
bonds (distance) P-C4' energy: -150.454
flat angles C4'-P-C4' energy: -149.634
flat angles P-C4'-P energy: -92.942
tors. eta vs tors. theta energy: -107.048
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1465.555658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.555658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.555658 (E_RNA)
where:
Base-Base interactions energy: -895.415
where: short stacking energy: -431.439
Base-Backbone interact. energy: -1.826
local terms energy: -568.314150
where:
bonds (distance) C4'-P energy: -128.440
bonds (distance) P-C4' energy: -136.621
flat angles C4'-P-C4' energy: -120.897
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -99.414
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: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -913.144392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.144392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.144392 (E_RNA)
where:
Base-Base interactions energy: -437.982
where: short stacking energy: -253.844
Base-Backbone interact. energy: 5.080
local terms energy: -480.242786
where:
bonds (distance) C4'-P energy: -128.488
bonds (distance) P-C4' energy: -149.492
flat angles C4'-P-C4' energy: -118.790
flat angles P-C4'-P energy: -85.805
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -705.851678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.851678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.851678 (E_RNA)
where:
Base-Base interactions energy: -327.368
where: short stacking energy: -198.359
Base-Backbone interact. energy: 2.667
local terms energy: -381.151051
where:
bonds (distance) C4'-P energy: -103.634
bonds (distance) P-C4' energy: -136.979
flat angles C4'-P-C4' energy: -110.048
flat angles P-C4'-P energy: -64.502
tors. eta vs tors. theta energy: 34.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2702.791174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.791174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.791174 (E_RNA)
where:
Base-Base interactions energy: -1831.990
where: short stacking energy: -791.397
Base-Backbone interact. energy: -1.562
local terms energy: -869.239086
where:
bonds (distance) C4'-P energy: -158.361
bonds (distance) P-C4' energy: -161.095
flat angles C4'-P-C4' energy: -184.234
flat angles P-C4'-P energy: -134.604
tors. eta vs tors. theta energy: -230.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2684.343486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.343486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.343486 (E_RNA)
where:
Base-Base interactions energy: -1852.964
where: short stacking energy: -739.783
Base-Backbone interact. energy: -6.149
local terms energy: -825.230841
where:
bonds (distance) C4'-P energy: -169.836
bonds (distance) P-C4' energy: -133.095
flat angles C4'-P-C4' energy: -185.521
flat angles P-C4'-P energy: -131.075
tors. eta vs tors. theta energy: -205.705
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: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2529.944620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.944620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.944620 (E_RNA)
where:
Base-Base interactions energy: -1769.353
where: short stacking energy: -722.915
Base-Backbone interact. energy: 1.939
local terms energy: -762.530772
where:
bonds (distance) C4'-P energy: -142.467
bonds (distance) P-C4' energy: -139.016
flat angles C4'-P-C4' energy: -172.254
flat angles P-C4'-P energy: -105.650
tors. eta vs tors. theta energy: -203.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2410.748375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.748375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.748375 (E_RNA)
where:
Base-Base interactions energy: -1602.632
where: short stacking energy: -730.564
Base-Backbone interact. energy: -4.119
local terms energy: -805.103929
where:
bonds (distance) C4'-P energy: -156.266
bonds (distance) P-C4' energy: -163.486
flat angles C4'-P-C4' energy: -168.274
flat angles P-C4'-P energy: -101.566
tors. eta vs tors. theta energy: -215.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.107 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2255.245522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.245522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.245522 (E_RNA)
where:
Base-Base interactions energy: -1503.508
where: short stacking energy: -644.291
Base-Backbone interact. energy: 5.529
local terms energy: -757.266610
where:
bonds (distance) C4'-P energy: -156.730
bonds (distance) P-C4' energy: -153.154
flat angles C4'-P-C4' energy: -144.469
flat angles P-C4'-P energy: -109.326
tors. eta vs tors. theta energy: -193.588
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2047.825026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.825026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.825026 (E_RNA)
where:
Base-Base interactions energy: -1356.078
where: short stacking energy: -586.931
Base-Backbone interact. energy: -2.758
local terms energy: -688.988567
where:
bonds (distance) C4'-P energy: -143.500
bonds (distance) P-C4' energy: -145.099
flat angles C4'-P-C4' energy: -147.982
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -163.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1762.392787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.392787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.392787 (E_RNA)
where:
Base-Base interactions energy: -1143.038
where: short stacking energy: -521.146
Base-Backbone interact. energy: 6.280
local terms energy: -625.634741
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -148.404
flat angles C4'-P-C4' energy: -149.612
flat angles P-C4'-P energy: -79.706
tors. eta vs tors. theta energy: -129.719
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1395.665602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.665602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.665602 (E_RNA)
where:
Base-Base interactions energy: -854.526
where: short stacking energy: -360.159
Base-Backbone interact. energy: 0.005
local terms energy: -541.144577
where:
bonds (distance) C4'-P energy: -136.163
bonds (distance) P-C4' energy: -147.323
flat angles C4'-P-C4' energy: -124.623
flat angles P-C4'-P energy: -75.552
tors. eta vs tors. theta energy: -57.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -876.146327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.146327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.146327 (E_RNA)
where:
Base-Base interactions energy: -409.048
where: short stacking energy: -219.687
Base-Backbone interact. energy: -5.251
local terms energy: -461.847306
where:
bonds (distance) C4'-P energy: -134.829
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -127.278
flat angles P-C4'-P energy: -81.030
tors. eta vs tors. theta energy: 15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -761.379389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.379389 (E_RNA)
where:
Base-Base interactions energy: -318.787
where: short stacking energy: -189.314
Base-Backbone interact. energy: 2.581
local terms energy: -445.173777
where:
bonds (distance) C4'-P energy: -122.036
bonds (distance) P-C4' energy: -159.070
flat angles C4'-P-C4' energy: -116.978
flat angles P-C4'-P energy: -60.767
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2707.523205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.523205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.523205 (E_RNA)
where:
Base-Base interactions energy: -1860.538
where: short stacking energy: -810.361
Base-Backbone interact. energy: -2.425
local terms energy: -844.560239
where:
bonds (distance) C4'-P energy: -159.939
bonds (distance) P-C4' energy: -165.129
flat angles C4'-P-C4' energy: -161.675
flat angles P-C4'-P energy: -117.792
tors. eta vs tors. theta energy: -240.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2728.226559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.226559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.226559 (E_RNA)
where:
Base-Base interactions energy: -1906.867
where: short stacking energy: -759.241
Base-Backbone interact. energy: -1.901
local terms energy: -819.458795
where:
bonds (distance) C4'-P energy: -155.768
bonds (distance) P-C4' energy: -155.319
flat angles C4'-P-C4' energy: -171.608
flat angles P-C4'-P energy: -126.972
tors. eta vs tors. theta energy: -209.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2489.990194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.990194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.990194 (E_RNA)
where:
Base-Base interactions energy: -1742.410
where: short stacking energy: -711.089
Base-Backbone interact. energy: -0.268
local terms energy: -747.312905
where:
bonds (distance) C4'-P energy: -130.705
bonds (distance) P-C4' energy: -148.144
flat angles C4'-P-C4' energy: -158.472
flat angles P-C4'-P energy: -123.562
tors. eta vs tors. theta energy: -186.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2408.859927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.859927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.859927 (E_RNA)
where:
Base-Base interactions energy: -1607.209
where: short stacking energy: -738.753
Base-Backbone interact. energy: -0.012
local terms energy: -802.065904
where:
bonds (distance) C4'-P energy: -157.502
bonds (distance) P-C4' energy: -149.592
flat angles C4'-P-C4' energy: -170.626
flat angles P-C4'-P energy: -108.204
tors. eta vs tors. theta energy: -216.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2257.175529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.175529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.175529 (E_RNA)
where:
Base-Base interactions energy: -1522.545
where: short stacking energy: -616.675
Base-Backbone interact. energy: -4.099
local terms energy: -730.531854
where:
bonds (distance) C4'-P energy: -150.755
bonds (distance) P-C4' energy: -157.542
flat angles C4'-P-C4' energy: -156.199
flat angles P-C4'-P energy: -92.137
tors. eta vs tors. theta energy: -173.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2030.523497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.523497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.523497 (E_RNA)
where:
Base-Base interactions energy: -1350.159
where: short stacking energy: -594.645
Base-Backbone interact. energy: 2.591
local terms energy: -682.955650
where:
bonds (distance) C4'-P energy: -135.420
bonds (distance) P-C4' energy: -157.008
flat angles C4'-P-C4' energy: -145.439
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -155.728
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: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1714.539935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.539935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.539935 (E_RNA)
where:
Base-Base interactions energy: -1124.590
where: short stacking energy: -488.471
Base-Backbone interact. energy: -1.697
local terms energy: -588.253117
where:
bonds (distance) C4'-P energy: -123.146
bonds (distance) P-C4' energy: -134.045
flat angles C4'-P-C4' energy: -138.923
flat angles P-C4'-P energy: -79.926
tors. eta vs tors. theta energy: -112.212
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1283.963382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.963382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.963382 (E_RNA)
where:
Base-Base interactions energy: -739.628
where: short stacking energy: -346.301
Base-Backbone interact. energy: 2.766
local terms energy: -547.101482
where:
bonds (distance) C4'-P energy: -131.163
bonds (distance) P-C4' energy: -137.702
flat angles C4'-P-C4' energy: -129.571
flat angles P-C4'-P energy: -99.201
tors. eta vs tors. theta energy: -49.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -980.855540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.855540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.855540 (E_RNA)
where:
Base-Base interactions energy: -522.846
where: short stacking energy: -256.948
Base-Backbone interact. energy: 3.225
local terms energy: -461.234641
where:
bonds (distance) C4'-P energy: -126.021
bonds (distance) P-C4' energy: -138.986
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -65.359
tors. eta vs tors. theta energy: -13.464
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -722.312264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.312264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.312264 (E_RNA)
where:
Base-Base interactions energy: -298.801
where: short stacking energy: -174.510
Base-Backbone interact. energy: 2.341
local terms energy: -425.851990
where:
bonds (distance) C4'-P energy: -121.881
bonds (distance) P-C4' energy: -146.707
flat angles C4'-P-C4' energy: -123.750
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: 32.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2779.361481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.361481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.361481 (E_RNA)
where:
Base-Base interactions energy: -1924.181
where: short stacking energy: -782.045
Base-Backbone interact. energy: -5.532
local terms energy: -849.648434
where:
bonds (distance) C4'-P energy: -150.363
bonds (distance) P-C4' energy: -172.841
flat angles C4'-P-C4' energy: -181.041
flat angles P-C4'-P energy: -123.364
tors. eta vs tors. theta energy: -222.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2605.799725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.799725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.799725 (E_RNA)
where:
Base-Base interactions energy: -1768.362
where: short stacking energy: -761.382
Base-Backbone interact. energy: -0.559
local terms energy: -836.878814
where:
bonds (distance) C4'-P energy: -156.595
bonds (distance) P-C4' energy: -166.407
flat angles C4'-P-C4' energy: -168.222
flat angles P-C4'-P energy: -116.826
tors. eta vs tors. theta energy: -228.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2487.637840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.637840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.637840 (E_RNA)
where:
Base-Base interactions energy: -1683.219
where: short stacking energy: -695.151
Base-Backbone interact. energy: -1.102
local terms energy: -804.045148
where:
bonds (distance) C4'-P energy: -160.051
bonds (distance) P-C4' energy: -160.708
flat angles C4'-P-C4' energy: -173.073
flat angles P-C4'-P energy: -119.439
tors. eta vs tors. theta energy: -190.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2406.203561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.203561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.203561 (E_RNA)
where:
Base-Base interactions energy: -1625.987
where: short stacking energy: -740.628
Base-Backbone interact. energy: 1.220
local terms energy: -781.436704
where:
bonds (distance) C4'-P energy: -136.026
bonds (distance) P-C4' energy: -149.321
flat angles C4'-P-C4' energy: -157.769
flat angles P-C4'-P energy: -107.721
tors. eta vs tors. theta energy: -230.599
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2258.733501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.733501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.733501 (E_RNA)
where:
Base-Base interactions energy: -1518.648
where: short stacking energy: -665.984
Base-Backbone interact. energy: 2.896
local terms energy: -742.982115
where:
bonds (distance) C4'-P energy: -135.370
bonds (distance) P-C4' energy: -140.352
flat angles C4'-P-C4' energy: -170.737
flat angles P-C4'-P energy: -106.837
tors. eta vs tors. theta energy: -189.686
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2092.825933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.825933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.825933 (E_RNA)
where:
Base-Base interactions energy: -1389.086
where: short stacking energy: -594.909
Base-Backbone interact. energy: 0.177
local terms energy: -703.916476
where:
bonds (distance) C4'-P energy: -137.019
bonds (distance) P-C4' energy: -149.814
flat angles C4'-P-C4' energy: -151.600
flat angles P-C4'-P energy: -102.032
tors. eta vs tors. theta energy: -163.451
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: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1766.275275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.275275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.275275 (E_RNA)
where:
Base-Base interactions energy: -1160.447
where: short stacking energy: -522.427
Base-Backbone interact. energy: -1.785
local terms energy: -604.042786
where:
bonds (distance) C4'-P energy: -139.542
bonds (distance) P-C4' energy: -114.968
flat angles C4'-P-C4' energy: -147.710
flat angles P-C4'-P energy: -80.564
tors. eta vs tors. theta energy: -121.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1305.224185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.224185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.224185 (E_RNA)
where:
Base-Base interactions energy: -792.262
where: short stacking energy: -364.786
Base-Backbone interact. energy: -0.045
local terms energy: -512.917878
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -119.568
flat angles C4'-P-C4' energy: -143.198
flat angles P-C4'-P energy: -91.254
tors. eta vs tors. theta energy: -42.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1080.926669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.926669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.926669 (E_RNA)
where:
Base-Base interactions energy: -592.600
where: short stacking energy: -298.910
Base-Backbone interact. energy: 1.667
local terms energy: -489.993867
where:
bonds (distance) C4'-P energy: -118.956
bonds (distance) P-C4' energy: -120.035
flat angles C4'-P-C4' energy: -138.585
flat angles P-C4'-P energy: -74.654
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: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -742.233011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.233011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.233011 (E_RNA)
where:
Base-Base interactions energy: -342.806
where: short stacking energy: -191.564
Base-Backbone interact. energy: 4.053
local terms energy: -403.480124
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -119.467
flat angles C4'-P-C4' energy: -119.967
flat angles P-C4'-P energy: -57.907
tors. eta vs tors. theta energy: 23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2778.528268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.528268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.528268 (E_RNA)
where:
Base-Base interactions energy: -1936.528
where: short stacking energy: -785.281
Base-Backbone interact. energy: -2.078
local terms energy: -839.921920
where:
bonds (distance) C4'-P energy: -156.730
bonds (distance) P-C4' energy: -166.608
flat angles C4'-P-C4' energy: -176.947
flat angles P-C4'-P energy: -126.188
tors. eta vs tors. theta energy: -213.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2617.625193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.625193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.625193 (E_RNA)
where:
Base-Base interactions energy: -1792.394
where: short stacking energy: -783.366
Base-Backbone interact. energy: -1.655
local terms energy: -823.576923
where:
bonds (distance) C4'-P energy: -155.398
bonds (distance) P-C4' energy: -148.505
flat angles C4'-P-C4' energy: -186.882
flat angles P-C4'-P energy: -103.785
tors. eta vs tors. theta energy: -229.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2535.112076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.112076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.112076 (E_RNA)
where:
Base-Base interactions energy: -1737.367
where: short stacking energy: -753.560
Base-Backbone interact. energy: -5.080
local terms energy: -792.665378
where:
bonds (distance) C4'-P energy: -147.793
bonds (distance) P-C4' energy: -159.970
flat angles C4'-P-C4' energy: -156.664
flat angles P-C4'-P energy: -116.773
tors. eta vs tors. theta energy: -211.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2428.154275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.154275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.154275 (E_RNA)
where:
Base-Base interactions energy: -1617.171
where: short stacking energy: -712.850
Base-Backbone interact. energy: 1.399
local terms energy: -812.382859
where:
bonds (distance) C4'-P energy: -149.499
bonds (distance) P-C4' energy: -163.308
flat angles C4'-P-C4' energy: -151.633
flat angles P-C4'-P energy: -121.637
tors. eta vs tors. theta energy: -226.307
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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2265.991838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.991838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.991838 (E_RNA)
where:
Base-Base interactions energy: -1535.269
where: short stacking energy: -667.014
Base-Backbone interact. energy: -2.448
local terms energy: -728.274485
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -150.129
flat angles C4'-P-C4' energy: -146.436
flat angles P-C4'-P energy: -112.589
tors. eta vs tors. theta energy: -186.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2104.543414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.543414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.543414 (E_RNA)
where:
Base-Base interactions energy: -1405.336
where: short stacking energy: -591.365
Base-Backbone interact. energy: -3.468
local terms energy: -695.739190
where:
bonds (distance) C4'-P energy: -130.777
bonds (distance) P-C4' energy: -151.265
flat angles C4'-P-C4' energy: -152.719
flat angles P-C4'-P energy: -102.687
tors. eta vs tors. theta energy: -158.291
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: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1745.362871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.362871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.362871 (E_RNA)
where:
Base-Base interactions energy: -1152.142
where: short stacking energy: -505.085
Base-Backbone interact. energy: -3.277
local terms energy: -589.943880
where:
bonds (distance) C4'-P energy: -133.330
bonds (distance) P-C4' energy: -134.961
flat angles C4'-P-C4' energy: -141.946
flat angles P-C4'-P energy: -76.795
tors. eta vs tors. theta energy: -102.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1390.453519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.453519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.453519 (E_RNA)
where:
Base-Base interactions energy: -806.264
where: short stacking energy: -404.267
Base-Backbone interact. energy: -2.369
local terms energy: -581.820558
where:
bonds (distance) C4'-P energy: -136.330
bonds (distance) P-C4' energy: -155.806
flat angles C4'-P-C4' energy: -142.517
flat angles P-C4'-P energy: -73.568
tors. eta vs tors. theta energy: -73.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1021.920132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.920132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.920132 (E_RNA)
where:
Base-Base interactions energy: -550.379
where: short stacking energy: -302.278
Base-Backbone interact. energy: 8.641
local terms energy: -480.182264
where:
bonds (distance) C4'-P energy: -121.298
bonds (distance) P-C4' energy: -141.609
flat angles C4'-P-C4' energy: -111.714
flat angles P-C4'-P energy: -72.584
tors. eta vs tors. theta energy: -32.978
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: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -721.503506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.503506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.503506 (E_RNA)
where:
Base-Base interactions energy: -319.936
where: short stacking energy: -220.044
Base-Backbone interact. energy: 2.016
local terms energy: -403.582976
where:
bonds (distance) C4'-P energy: -143.548
bonds (distance) P-C4' energy: -124.689
flat angles C4'-P-C4' energy: -95.899
flat angles P-C4'-P energy: -59.807
tors. eta vs tors. theta energy: 20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2768.486875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.486875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.486875 (E_RNA)
where:
Base-Base interactions energy: -1930.279
where: short stacking energy: -794.381
Base-Backbone interact. energy: -2.941
local terms energy: -835.267740
where:
bonds (distance) C4'-P energy: -158.362
bonds (distance) P-C4' energy: -151.950
flat angles C4'-P-C4' energy: -181.962
flat angles P-C4'-P energy: -122.661
tors. eta vs tors. theta energy: -220.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2617.103154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.103154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.103154 (E_RNA)
where:
Base-Base interactions energy: -1788.247
where: short stacking energy: -772.104
Base-Backbone interact. energy: -2.774
local terms energy: -826.082374
where:
bonds (distance) C4'-P energy: -149.889
bonds (distance) P-C4' energy: -149.522
flat angles C4'-P-C4' energy: -178.587
flat angles P-C4'-P energy: -115.896
tors. eta vs tors. theta energy: -232.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2515.426041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.426041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.426041 (E_RNA)
where:
Base-Base interactions energy: -1721.046
where: short stacking energy: -746.806
Base-Backbone interact. energy: -4.848
local terms energy: -789.864119
where:
bonds (distance) C4'-P energy: -135.711
bonds (distance) P-C4' energy: -152.902
flat angles C4'-P-C4' energy: -173.853
flat angles P-C4'-P energy: -113.843
tors. eta vs tors. theta energy: -213.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.332 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2374.236581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.236581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.236581 (E_RNA)
where:
Base-Base interactions energy: -1567.666
where: short stacking energy: -701.792
Base-Backbone interact. energy: -1.529
local terms energy: -805.040714
where:
bonds (distance) C4'-P energy: -160.920
bonds (distance) P-C4' energy: -150.183
flat angles C4'-P-C4' energy: -170.642
flat angles P-C4'-P energy: -110.477
tors. eta vs tors. theta energy: -212.819
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: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2247.355607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.355607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.355607 (E_RNA)
where:
Base-Base interactions energy: -1500.731
where: short stacking energy: -631.344
Base-Backbone interact. energy: -1.440
local terms energy: -745.183781
where:
bonds (distance) C4'-P energy: -154.802
bonds (distance) P-C4' energy: -154.532
flat angles C4'-P-C4' energy: -158.743
flat angles P-C4'-P energy: -94.594
tors. eta vs tors. theta energy: -182.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2088.686972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.686972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.686972 (E_RNA)
where:
Base-Base interactions energy: -1389.377
where: short stacking energy: -613.861
Base-Backbone interact. energy: -1.454
local terms energy: -697.856333
where:
bonds (distance) C4'-P energy: -138.682
bonds (distance) P-C4' energy: -151.019
flat angles C4'-P-C4' energy: -154.375
flat angles P-C4'-P energy: -87.139
tors. eta vs tors. theta energy: -166.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1719.788445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.788445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.788445 (E_RNA)
where:
Base-Base interactions energy: -1102.151
where: short stacking energy: -514.530
Base-Backbone interact. energy: -1.465
local terms energy: -616.172179
where:
bonds (distance) C4'-P energy: -134.617
bonds (distance) P-C4' energy: -112.889
flat angles C4'-P-C4' energy: -152.859
flat angles P-C4'-P energy: -108.454
tors. eta vs tors. theta energy: -107.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1324.368707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.368707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.368707 (E_RNA)
where:
Base-Base interactions energy: -804.006
where: short stacking energy: -377.537
Base-Backbone interact. energy: 8.923
local terms energy: -529.286080
where:
bonds (distance) C4'-P energy: -111.469
bonds (distance) P-C4' energy: -151.104
flat angles C4'-P-C4' energy: -129.389
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -55.680
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: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -935.041517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.041517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.041517 (E_RNA)
where:
Base-Base interactions energy: -452.079
where: short stacking energy: -238.395
Base-Backbone interact. energy: -2.441
local terms energy: -480.521808
where:
bonds (distance) C4'-P energy: -131.706
bonds (distance) P-C4' energy: -135.491
flat angles C4'-P-C4' energy: -128.948
flat angles P-C4'-P energy: -71.567
tors. eta vs tors. theta energy: -12.810
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: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -727.139368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.139368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.139368 (E_RNA)
where:
Base-Base interactions energy: -349.723
where: short stacking energy: -197.373
Base-Backbone interact. energy: -1.302
local terms energy: -376.113881
where:
bonds (distance) C4'-P energy: -121.365
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -111.135
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: 19.634
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: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2794.882578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.882578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.882578 (E_RNA)
where:
Base-Base interactions energy: -1917.462
where: short stacking energy: -786.229
Base-Backbone interact. energy: -4.280
local terms energy: -873.140877
where:
bonds (distance) C4'-P energy: -166.704
bonds (distance) P-C4' energy: -175.675
flat angles C4'-P-C4' energy: -184.323
flat angles P-C4'-P energy: -124.873
tors. eta vs tors. theta energy: -221.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2610.551226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.551226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.551226 (E_RNA)
where:
Base-Base interactions energy: -1781.081
where: short stacking energy: -756.460
Base-Backbone interact. energy: 1.953
local terms energy: -831.423103
where:
bonds (distance) C4'-P energy: -165.244
bonds (distance) P-C4' energy: -161.551
flat angles C4'-P-C4' energy: -175.519
flat angles P-C4'-P energy: -107.034
tors. eta vs tors. theta energy: -222.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2497.449635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.449635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.449635 (E_RNA)
where:
Base-Base interactions energy: -1706.799
where: short stacking energy: -715.850
Base-Backbone interact. energy: -5.741
local terms energy: -784.910242
where:
bonds (distance) C4'-P energy: -152.713
bonds (distance) P-C4' energy: -143.797
flat angles C4'-P-C4' energy: -156.523
flat angles P-C4'-P energy: -120.919
tors. eta vs tors. theta energy: -210.958
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: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2337.226631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.226631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.226631 (E_RNA)
where:
Base-Base interactions energy: -1569.299
where: short stacking energy: -678.974
Base-Backbone interact. energy: -2.745
local terms energy: -765.181886
where:
bonds (distance) C4'-P energy: -150.696
bonds (distance) P-C4' energy: -147.505
flat angles C4'-P-C4' energy: -169.714
flat angles P-C4'-P energy: -97.193
tors. eta vs tors. theta energy: -200.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2195.353586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.353586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.353586 (E_RNA)
where:
Base-Base interactions energy: -1477.725
where: short stacking energy: -627.714
Base-Backbone interact. energy: -1.229
local terms energy: -716.400176
where:
bonds (distance) C4'-P energy: -144.898
bonds (distance) P-C4' energy: -146.980
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -111.889
tors. eta vs tors. theta energy: -161.464
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2041.880756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.880756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.880756 (E_RNA)
where:
Base-Base interactions energy: -1357.572
where: short stacking energy: -607.173
Base-Backbone interact. energy: 1.474
local terms energy: -685.783097
where:
bonds (distance) C4'-P energy: -142.864
bonds (distance) P-C4' energy: -149.303
flat angles C4'-P-C4' energy: -150.168
flat angles P-C4'-P energy: -92.951
tors. eta vs tors. theta energy: -150.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1801.731363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.731363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.731363 (E_RNA)
where:
Base-Base interactions energy: -1195.827
where: short stacking energy: -510.139
Base-Backbone interact. energy: -3.793
local terms energy: -602.110962
where:
bonds (distance) C4'-P energy: -131.218
bonds (distance) P-C4' energy: -133.456
flat angles C4'-P-C4' energy: -149.268
flat angles P-C4'-P energy: -74.378
tors. eta vs tors. theta energy: -113.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1338.445357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.445357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.445357 (E_RNA)
where:
Base-Base interactions energy: -791.247
where: short stacking energy: -375.818
Base-Backbone interact. energy: 0.496
local terms energy: -547.693691
where:
bonds (distance) C4'-P energy: -129.797
bonds (distance) P-C4' energy: -121.297
flat angles C4'-P-C4' energy: -132.221
flat angles P-C4'-P energy: -80.524
tors. eta vs tors. theta energy: -83.855
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: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -897.243019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.243019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.243019 (E_RNA)
where:
Base-Base interactions energy: -438.562
where: short stacking energy: -256.821
Base-Backbone interact. energy: -0.846
local terms energy: -457.834952
where:
bonds (distance) C4'-P energy: -135.206
bonds (distance) P-C4' energy: -132.592
flat angles C4'-P-C4' energy: -114.302
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -780.318858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.318858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.318858 (E_RNA)
where:
Base-Base interactions energy: -349.413
where: short stacking energy: -205.263
Base-Backbone interact. energy: 5.302
local terms energy: -436.207480
where:
bonds (distance) C4'-P energy: -145.320
bonds (distance) P-C4' energy: -145.254
flat angles C4'-P-C4' energy: -113.207
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: 13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2769.173272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.173272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.173272 (E_RNA)
where:
Base-Base interactions energy: -1916.928
where: short stacking energy: -763.310
Base-Backbone interact. energy: -4.960
local terms energy: -847.285581
where:
bonds (distance) C4'-P energy: -170.264
bonds (distance) P-C4' energy: -159.318
flat angles C4'-P-C4' energy: -189.076
flat angles P-C4'-P energy: -121.110
tors. eta vs tors. theta energy: -207.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2572.915389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.915389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.915389 (E_RNA)
where:
Base-Base interactions energy: -1735.102
where: short stacking energy: -744.972
Base-Backbone interact. energy: -2.232
local terms energy: -835.581469
where:
bonds (distance) C4'-P energy: -144.966
bonds (distance) P-C4' energy: -167.565
flat angles C4'-P-C4' energy: -175.049
flat angles P-C4'-P energy: -128.014
tors. eta vs tors. theta energy: -219.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2478.419710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.419710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.419710 (E_RNA)
where:
Base-Base interactions energy: -1682.792
where: short stacking energy: -717.354
Base-Backbone interact. energy: -2.258
local terms energy: -793.369398
where:
bonds (distance) C4'-P energy: -145.758
bonds (distance) P-C4' energy: -163.659
flat angles C4'-P-C4' energy: -167.250
flat angles P-C4'-P energy: -113.363
tors. eta vs tors. theta energy: -203.340
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: 288
Temperature: 1.050000
Total energy: -2284.224392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.224392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.224392 (E_RNA)
where:
Base-Base interactions energy: -1502.833
where: short stacking energy: -695.867
Base-Backbone interact. energy: -2.001
local terms energy: -779.390155
where:
bonds (distance) C4'-P energy: -144.081
bonds (distance) P-C4' energy: -161.913
flat angles C4'-P-C4' energy: -171.093
flat angles P-C4'-P energy: -102.631
tors. eta vs tors. theta energy: -199.672
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: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2283.609936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.609936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.609936 (E_RNA)
where:
Base-Base interactions energy: -1547.536
where: short stacking energy: -665.979
Base-Backbone interact. energy: -2.810
local terms energy: -733.263834
where:
bonds (distance) C4'-P energy: -126.051
bonds (distance) P-C4' energy: -151.465
flat angles C4'-P-C4' energy: -172.285
flat angles P-C4'-P energy: -95.419
tors. eta vs tors. theta energy: -188.044
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: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2039.316056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.316056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.316056 (E_RNA)
where:
Base-Base interactions energy: -1359.169
where: short stacking energy: -585.993
Base-Backbone interact. energy: -2.232
local terms energy: -677.914514
where:
bonds (distance) C4'-P energy: -117.306
bonds (distance) P-C4' energy: -137.096
flat angles C4'-P-C4' energy: -154.093
flat angles P-C4'-P energy: -97.547
tors. eta vs tors. theta energy: -171.872
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1737.006511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.006511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.006511 (E_RNA)
where:
Base-Base interactions energy: -1125.665
where: short stacking energy: -508.116
Base-Backbone interact. energy: -2.315
local terms energy: -609.026949
where:
bonds (distance) C4'-P energy: -140.210
bonds (distance) P-C4' energy: -145.097
flat angles C4'-P-C4' energy: -116.317
flat angles P-C4'-P energy: -85.722
tors. eta vs tors. theta energy: -121.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1419.051027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.051027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.051027 (E_RNA)
where:
Base-Base interactions energy: -875.113
where: short stacking energy: -381.730
Base-Backbone interact. energy: 0.098
local terms energy: -544.035761
where:
bonds (distance) C4'-P energy: -129.939
bonds (distance) P-C4' energy: -148.206
flat angles C4'-P-C4' energy: -129.277
flat angles P-C4'-P energy: -83.305
tors. eta vs tors. theta energy: -53.308
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: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -892.056096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.056096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.056096 (E_RNA)
where:
Base-Base interactions energy: -426.184
where: short stacking energy: -220.360
Base-Backbone interact. energy: 5.175
local terms energy: -471.047069
where:
bonds (distance) C4'-P energy: -158.668
bonds (distance) P-C4' energy: -142.065
flat angles C4'-P-C4' energy: -111.508
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: 10.375
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: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -812.283657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.283657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.283657 (E_RNA)
where:
Base-Base interactions energy: -366.908
where: short stacking energy: -229.724
Base-Backbone interact. energy: -6.045
local terms energy: -439.330388
where:
bonds (distance) C4'-P energy: -109.386
bonds (distance) P-C4' energy: -143.113
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -72.638
tors. eta vs tors. theta energy: 7.717
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: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2788.346694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.346694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.346694 (E_RNA)
where:
Base-Base interactions energy: -1954.479
where: short stacking energy: -784.689
Base-Backbone interact. energy: -3.154
local terms energy: -830.714205
where:
bonds (distance) C4'-P energy: -153.261
bonds (distance) P-C4' energy: -167.937
flat angles C4'-P-C4' energy: -176.747
flat angles P-C4'-P energy: -125.349
tors. eta vs tors. theta energy: -207.421
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: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2580.777849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.777849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.777849 (E_RNA)
where:
Base-Base interactions energy: -1747.841
where: short stacking energy: -741.390
Base-Backbone interact. energy: -4.254
local terms energy: -828.682682
where:
bonds (distance) C4'-P energy: -153.735
bonds (distance) P-C4' energy: -169.900
flat angles C4'-P-C4' energy: -174.691
flat angles P-C4'-P energy: -118.408
tors. eta vs tors. theta energy: -211.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2515.637198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.637198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.637198 (E_RNA)
where:
Base-Base interactions energy: -1717.347
where: short stacking energy: -728.160
Base-Backbone interact. energy: -2.343
local terms energy: -795.946892
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -154.439
flat angles C4'-P-C4' energy: -184.174
flat angles P-C4'-P energy: -104.154
tors. eta vs tors. theta energy: -214.767
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: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2380.740069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.740069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.740069 (E_RNA)
where:
Base-Base interactions energy: -1648.007
where: short stacking energy: -698.774
Base-Backbone interact. energy: 1.630
local terms energy: -734.363112
where:
bonds (distance) C4'-P energy: -133.334
bonds (distance) P-C4' energy: -154.597
flat angles C4'-P-C4' energy: -159.525
flat angles P-C4'-P energy: -101.221
tors. eta vs tors. theta energy: -185.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2257.122885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.122885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.122885 (E_RNA)
where:
Base-Base interactions energy: -1472.505
where: short stacking energy: -667.431
Base-Backbone interact. energy: -2.302
local terms energy: -782.316455
where:
bonds (distance) C4'-P energy: -150.078
bonds (distance) P-C4' energy: -154.504
flat angles C4'-P-C4' energy: -166.529
flat angles P-C4'-P energy: -95.927
tors. eta vs tors. theta energy: -215.279
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: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2104.263084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.263084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.263084 (E_RNA)
where:
Base-Base interactions energy: -1373.091
where: short stacking energy: -617.899
Base-Backbone interact. energy: 3.652
local terms energy: -734.823678
where:
bonds (distance) C4'-P energy: -136.687
bonds (distance) P-C4' energy: -134.486
flat angles C4'-P-C4' energy: -161.899
flat angles P-C4'-P energy: -110.191
tors. eta vs tors. theta energy: -191.560
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1638.447749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.447749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.447749 (E_RNA)
where:
Base-Base interactions energy: -1069.166
where: short stacking energy: -459.416
Base-Backbone interact. energy: -1.554
local terms energy: -567.728126
where:
bonds (distance) C4'-P energy: -129.815
bonds (distance) P-C4' energy: -147.200
flat angles C4'-P-C4' energy: -119.778
flat angles P-C4'-P energy: -89.532
tors. eta vs tors. theta energy: -81.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1390.493704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.493704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.493704 (E_RNA)
where:
Base-Base interactions energy: -885.489
where: short stacking energy: -377.092
Base-Backbone interact. energy: 0.931
local terms energy: -505.935685
where:
bonds (distance) C4'-P energy: -121.861
bonds (distance) P-C4' energy: -145.340
flat angles C4'-P-C4' energy: -111.194
flat angles P-C4'-P energy: -73.652
tors. eta vs tors. theta energy: -53.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -897.470291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.470291 (E_RNA)
where:
Base-Base interactions energy: -428.209
where: short stacking energy: -265.950
Base-Backbone interact. energy: 2.956
local terms energy: -472.217473
where:
bonds (distance) C4'-P energy: -136.589
bonds (distance) P-C4' energy: -132.755
flat angles C4'-P-C4' energy: -110.908
flat angles P-C4'-P energy: -78.598
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -720.800414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.800414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.800414 (E_RNA)
where:
Base-Base interactions energy: -312.249
where: short stacking energy: -181.777
Base-Backbone interact. energy: 0.064
local terms energy: -408.615959
where:
bonds (distance) C4'-P energy: -118.205
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: 26.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2838.824744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.824744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.824744 (E_RNA)
where:
Base-Base interactions energy: -1965.797
where: short stacking energy: -816.710
Base-Backbone interact. energy: -3.823
local terms energy: -869.205035
where:
bonds (distance) C4'-P energy: -159.653
bonds (distance) P-C4' energy: -171.387
flat angles C4'-P-C4' energy: -194.333
flat angles P-C4'-P energy: -125.535
tors. eta vs tors. theta energy: -218.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2572.331537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.331537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.331537 (E_RNA)
where:
Base-Base interactions energy: -1742.265
where: short stacking energy: -757.922
Base-Backbone interact. energy: -4.177
local terms energy: -825.889265
where:
bonds (distance) C4'-P energy: -132.891
bonds (distance) P-C4' energy: -168.038
flat angles C4'-P-C4' energy: -164.415
flat angles P-C4'-P energy: -120.508
tors. eta vs tors. theta energy: -240.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2509.030410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.030410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.030410 (E_RNA)
where:
Base-Base interactions energy: -1711.789
where: short stacking energy: -727.407
Base-Backbone interact. energy: -4.901
local terms energy: -792.340421
where:
bonds (distance) C4'-P energy: -157.534
bonds (distance) P-C4' energy: -149.429
flat angles C4'-P-C4' energy: -161.510
flat angles P-C4'-P energy: -116.227
tors. eta vs tors. theta energy: -207.640
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: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2387.641140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.641140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.641140 (E_RNA)
where:
Base-Base interactions energy: -1621.096
where: short stacking energy: -670.167
Base-Backbone interact. energy: -4.879
local terms energy: -761.666457
where:
bonds (distance) C4'-P energy: -136.342
bonds (distance) P-C4' energy: -157.239
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -111.552
tors. eta vs tors. theta energy: -187.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2293.222106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.222106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.222106 (E_RNA)
where:
Base-Base interactions energy: -1560.888
where: short stacking energy: -667.403
Base-Backbone interact. energy: -0.925
local terms energy: -731.409249
where:
bonds (distance) C4'-P energy: -149.464
bonds (distance) P-C4' energy: -130.674
flat angles C4'-P-C4' energy: -145.927
flat angles P-C4'-P energy: -101.091
tors. eta vs tors. theta energy: -204.253
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: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2073.828016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.828016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.828016 (E_RNA)
where:
Base-Base interactions energy: -1358.939
where: short stacking energy: -605.454
Base-Backbone interact. energy: -1.851
local terms energy: -713.037670
where:
bonds (distance) C4'-P energy: -141.307
bonds (distance) P-C4' energy: -134.103
flat angles C4'-P-C4' energy: -168.350
flat angles P-C4'-P energy: -103.495
tors. eta vs tors. theta energy: -165.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1774.035618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.035618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.035618 (E_RNA)
where:
Base-Base interactions energy: -1154.375
where: short stacking energy: -509.582
Base-Backbone interact. energy: -3.419
local terms energy: -616.241529
where:
bonds (distance) C4'-P energy: -125.770
bonds (distance) P-C4' energy: -162.623
flat angles C4'-P-C4' energy: -146.766
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -102.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1419.598643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.598643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.598643 (E_RNA)
where:
Base-Base interactions energy: -886.325
where: short stacking energy: -380.307
Base-Backbone interact. energy: 2.012
local terms energy: -535.284946
where:
bonds (distance) C4'-P energy: -107.812
bonds (distance) P-C4' energy: -150.985
flat angles C4'-P-C4' energy: -122.375
flat angles P-C4'-P energy: -88.407
tors. eta vs tors. theta energy: -65.706
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -940.814541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.814541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.814541 (E_RNA)
where:
Base-Base interactions energy: -475.941
where: short stacking energy: -233.889
Base-Backbone interact. energy: 6.360
local terms energy: -471.233626
where:
bonds (distance) C4'-P energy: -138.274
bonds (distance) P-C4' energy: -131.177
flat angles C4'-P-C4' energy: -119.888
flat angles P-C4'-P energy: -82.003
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -807.062679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.062679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.062679 (E_RNA)
where:
Base-Base interactions energy: -387.963
where: short stacking energy: -201.210
Base-Backbone interact. energy: -1.021
local terms energy: -418.078418
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -141.749
flat angles C4'-P-C4' energy: -109.939
flat angles P-C4'-P energy: -78.462
tors. eta vs tors. theta energy: 7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2798.681423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.681423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.681423 (E_RNA)
where:
Base-Base interactions energy: -1928.000
where: short stacking energy: -790.199
Base-Backbone interact. energy: -2.768
local terms energy: -867.914062
where:
bonds (distance) C4'-P energy: -148.465
bonds (distance) P-C4' energy: -170.684
flat angles C4'-P-C4' energy: -203.688
flat angles P-C4'-P energy: -128.620
tors. eta vs tors. theta energy: -216.457
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: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2596.061207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.061207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.061207 (E_RNA)
where:
Base-Base interactions energy: -1762.931
where: short stacking energy: -758.280
Base-Backbone interact. energy: -1.319
local terms energy: -831.811362
where:
bonds (distance) C4'-P energy: -164.798
bonds (distance) P-C4' energy: -161.442
flat angles C4'-P-C4' energy: -164.436
flat angles P-C4'-P energy: -114.386
tors. eta vs tors. theta energy: -226.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2482.755659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.755659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.755659 (E_RNA)
where:
Base-Base interactions energy: -1673.904
where: short stacking energy: -705.522
Base-Backbone interact. energy: -4.737
local terms energy: -804.114604
where:
bonds (distance) C4'-P energy: -162.102
bonds (distance) P-C4' energy: -152.213
flat angles C4'-P-C4' energy: -178.733
flat angles P-C4'-P energy: -97.559
tors. eta vs tors. theta energy: -213.508
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2367.373113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.373113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.373113 (E_RNA)
where:
Base-Base interactions energy: -1582.005
where: short stacking energy: -674.598
Base-Backbone interact. energy: -0.545
local terms energy: -784.822327
where:
bonds (distance) C4'-P energy: -156.524
bonds (distance) P-C4' energy: -153.454
flat angles C4'-P-C4' energy: -172.263
flat angles P-C4'-P energy: -100.288
tors. eta vs tors. theta energy: -202.293
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: 291
Temperature: 1.100000
Total energy: -2255.745266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.745266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.745266 (E_RNA)
where:
Base-Base interactions energy: -1508.439
where: short stacking energy: -662.637
Base-Backbone interact. energy: -3.600
local terms energy: -743.705960
where:
bonds (distance) C4'-P energy: -136.152
bonds (distance) P-C4' energy: -141.322
flat angles C4'-P-C4' energy: -160.741
flat angles P-C4'-P energy: -105.170
tors. eta vs tors. theta energy: -200.321
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: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2059.030092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.030092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.030092 (E_RNA)
where:
Base-Base interactions energy: -1394.984
where: short stacking energy: -608.022
Base-Backbone interact. energy: 7.160
local terms energy: -671.206248
where:
bonds (distance) C4'-P energy: -146.348
bonds (distance) P-C4' energy: -110.881
flat angles C4'-P-C4' energy: -144.245
flat angles P-C4'-P energy: -102.210
tors. eta vs tors. theta energy: -167.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1655.263688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.263688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.263688 (E_RNA)
where:
Base-Base interactions energy: -1080.136
where: short stacking energy: -447.625
Base-Backbone interact. energy: 1.180
local terms energy: -576.307614
where:
bonds (distance) C4'-P energy: -117.581
bonds (distance) P-C4' energy: -133.223
flat angles C4'-P-C4' energy: -150.772
flat angles P-C4'-P energy: -90.367
tors. eta vs tors. theta energy: -84.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1446.525918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.525918 (E_RNA)
where:
Base-Base interactions energy: -880.490
where: short stacking energy: -385.192
Base-Backbone interact. energy: 0.248
local terms energy: -566.283099
where:
bonds (distance) C4'-P energy: -130.301
bonds (distance) P-C4' energy: -129.731
flat angles C4'-P-C4' energy: -133.349
flat angles P-C4'-P energy: -98.353
tors. eta vs tors. theta energy: -74.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -917.955028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.955028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.955028 (E_RNA)
where:
Base-Base interactions energy: -431.269
where: short stacking energy: -248.579
Base-Backbone interact. energy: -3.177
local terms energy: -483.509508
where:
bonds (distance) C4'-P energy: -139.277
bonds (distance) P-C4' energy: -130.892
flat angles C4'-P-C4' energy: -127.015
flat angles P-C4'-P energy: -69.695
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -783.323808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.323808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.323808 (E_RNA)
where:
Base-Base interactions energy: -371.062
where: short stacking energy: -197.302
Base-Backbone interact. energy: 4.422
local terms energy: -416.684648
where:
bonds (distance) C4'-P energy: -115.607
bonds (distance) P-C4' energy: -134.729
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -70.386
tors. eta vs tors. theta energy: 12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2793.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.477198 (E_RNA)
where:
Base-Base interactions energy: -1941.206
where: short stacking energy: -778.099
Base-Backbone interact. energy: -1.561
local terms energy: -850.709921
where:
bonds (distance) C4'-P energy: -156.066
bonds (distance) P-C4' energy: -163.977
flat angles C4'-P-C4' energy: -181.889
flat angles P-C4'-P energy: -128.446
tors. eta vs tors. theta energy: -220.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2608.919572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.919572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.919572 (E_RNA)
where:
Base-Base interactions energy: -1792.185
where: short stacking energy: -757.614
Base-Backbone interact. energy: 1.063
local terms energy: -817.798345
where:
bonds (distance) C4'-P energy: -156.635
bonds (distance) P-C4' energy: -148.634
flat angles C4'-P-C4' energy: -174.747
flat angles P-C4'-P energy: -114.605
tors. eta vs tors. theta energy: -223.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2503.067817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.067817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.067817 (E_RNA)
where:
Base-Base interactions energy: -1718.085
where: short stacking energy: -729.014
Base-Backbone interact. energy: -0.049
local terms energy: -784.934465
where:
bonds (distance) C4'-P energy: -149.661
bonds (distance) P-C4' energy: -159.546
flat angles C4'-P-C4' energy: -161.785
flat angles P-C4'-P energy: -104.400
tors. eta vs tors. theta energy: -209.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2326.072349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.072349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.072349 (E_RNA)
where:
Base-Base interactions energy: -1562.078
where: short stacking energy: -673.328
Base-Backbone interact. energy: -4.863
local terms energy: -759.131115
where:
bonds (distance) C4'-P energy: -124.795
bonds (distance) P-C4' energy: -160.187
flat angles C4'-P-C4' energy: -170.424
flat angles P-C4'-P energy: -111.097
tors. eta vs tors. theta energy: -192.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2212.413538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.413538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.413538 (E_RNA)
where:
Base-Base interactions energy: -1459.423
where: short stacking energy: -676.803
Base-Backbone interact. energy: -2.951
local terms energy: -750.038743
where:
bonds (distance) C4'-P energy: -135.272
bonds (distance) P-C4' energy: -136.643
flat angles C4'-P-C4' energy: -170.377
flat angles P-C4'-P energy: -102.608
tors. eta vs tors. theta energy: -205.139
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2037.504345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.504345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.504345 (E_RNA)
where:
Base-Base interactions energy: -1354.007
where: short stacking energy: -608.284
Base-Backbone interact. energy: -0.561
local terms energy: -682.936614
where:
bonds (distance) C4'-P energy: -125.128
bonds (distance) P-C4' energy: -149.668
flat angles C4'-P-C4' energy: -141.508
flat angles P-C4'-P energy: -108.759
tors. eta vs tors. theta energy: -157.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1745.760350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.760350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.760350 (E_RNA)
where:
Base-Base interactions energy: -1091.293
where: short stacking energy: -467.450
Base-Backbone interact. energy: -1.332
local terms energy: -653.135362
where:
bonds (distance) C4'-P energy: -133.290
bonds (distance) P-C4' energy: -146.634
flat angles C4'-P-C4' energy: -155.956
flat angles P-C4'-P energy: -105.057
tors. eta vs tors. theta energy: -112.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1444.987718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.987718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.987718 (E_RNA)
where:
Base-Base interactions energy: -885.943
where: short stacking energy: -398.332
Base-Backbone interact. energy: -1.488
local terms energy: -557.557354
where:
bonds (distance) C4'-P energy: -153.669
bonds (distance) P-C4' energy: -136.885
flat angles C4'-P-C4' energy: -129.282
flat angles P-C4'-P energy: -81.289
tors. eta vs tors. theta energy: -56.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -921.862612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.862612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.862612 (E_RNA)
where:
Base-Base interactions energy: -445.496
where: short stacking energy: -262.533
Base-Backbone interact. energy: 1.845
local terms energy: -478.211357
where:
bonds (distance) C4'-P energy: -130.447
bonds (distance) P-C4' energy: -133.579
flat angles C4'-P-C4' energy: -136.915
flat angles P-C4'-P energy: -71.949
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -767.603234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.603234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.603234 (E_RNA)
where:
Base-Base interactions energy: -366.678
where: short stacking energy: -260.950
Base-Backbone interact. energy: 0.838
local terms energy: -401.763607
where:
bonds (distance) C4'-P energy: -109.735
bonds (distance) P-C4' energy: -112.068
flat angles C4'-P-C4' energy: -110.377
flat angles P-C4'-P energy: -77.097
tors. eta vs tors. theta energy: 7.514
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: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2799.495992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.495992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.495992 (E_RNA)
where:
Base-Base interactions energy: -1937.996
where: short stacking energy: -767.149
Base-Backbone interact. energy: -4.528
local terms energy: -856.971543
where:
bonds (distance) C4'-P energy: -166.670
bonds (distance) P-C4' energy: -166.285
flat angles C4'-P-C4' energy: -184.757
flat angles P-C4'-P energy: -120.941
tors. eta vs tors. theta energy: -218.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2618.501785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.501785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.501785 (E_RNA)
where:
Base-Base interactions energy: -1795.133
where: short stacking energy: -757.986
Base-Backbone interact. energy: -1.158
local terms energy: -822.211261
where:
bonds (distance) C4'-P energy: -135.924
bonds (distance) P-C4' energy: -158.140
flat angles C4'-P-C4' energy: -188.737
flat angles P-C4'-P energy: -113.393
tors. eta vs tors. theta energy: -226.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2539.545188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.545188 (E_RNA)
where:
Base-Base interactions energy: -1783.604
where: short stacking energy: -758.419
Base-Backbone interact. energy: -3.039
local terms energy: -752.902650
where:
bonds (distance) C4'-P energy: -133.280
bonds (distance) P-C4' energy: -148.564
flat angles C4'-P-C4' energy: -172.001
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -207.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2358.252194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.252194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.252194 (E_RNA)
where:
Base-Base interactions energy: -1611.323
where: short stacking energy: -675.383
Base-Backbone interact. energy: -3.987
local terms energy: -742.942464
where:
bonds (distance) C4'-P energy: -134.415
bonds (distance) P-C4' energy: -161.068
flat angles C4'-P-C4' energy: -151.082
flat angles P-C4'-P energy: -106.688
tors. eta vs tors. theta energy: -189.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2241.558242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.558242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.558242 (E_RNA)
where:
Base-Base interactions energy: -1476.966
where: short stacking energy: -659.015
Base-Backbone interact. energy: -3.708
local terms energy: -760.883988
where:
bonds (distance) C4'-P energy: -140.924
bonds (distance) P-C4' energy: -139.272
flat angles C4'-P-C4' energy: -169.394
flat angles P-C4'-P energy: -104.018
tors. eta vs tors. theta energy: -207.276
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2034.893195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.893195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.893195 (E_RNA)
where:
Base-Base interactions energy: -1389.573
where: short stacking energy: -616.160
Base-Backbone interact. energy: -0.635
local terms energy: -644.685285
where:
bonds (distance) C4'-P energy: -120.950
bonds (distance) P-C4' energy: -125.269
flat angles C4'-P-C4' energy: -140.083
flat angles P-C4'-P energy: -102.262
tors. eta vs tors. theta energy: -156.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1675.292713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.292713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.292713 (E_RNA)
where:
Base-Base interactions energy: -1073.024
where: short stacking energy: -493.943
Base-Backbone interact. energy: -4.654
local terms energy: -597.615271
where:
bonds (distance) C4'-P energy: -112.889
bonds (distance) P-C4' energy: -139.927
flat angles C4'-P-C4' energy: -153.736
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: -101.697
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: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1365.137742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.137742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.137742 (E_RNA)
where:
Base-Base interactions energy: -824.660
where: short stacking energy: -363.981
Base-Backbone interact. energy: -4.157
local terms energy: -536.320157
where:
bonds (distance) C4'-P energy: -131.266
bonds (distance) P-C4' energy: -124.698
flat angles C4'-P-C4' energy: -131.441
flat angles P-C4'-P energy: -91.689
tors. eta vs tors. theta energy: -57.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -926.735586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.735586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.735586 (E_RNA)
where:
Base-Base interactions energy: -472.572
where: short stacking energy: -246.121
Base-Backbone interact. energy: -2.835
local terms energy: -451.328404
where:
bonds (distance) C4'-P energy: -120.747
bonds (distance) P-C4' energy: -134.293
flat angles C4'-P-C4' energy: -114.977
flat angles P-C4'-P energy: -81.296
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -734.894025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.894025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.894025 (E_RNA)
where:
Base-Base interactions energy: -307.844
where: short stacking energy: -198.344
Base-Backbone interact. energy: 7.816
local terms energy: -434.866659
where:
bonds (distance) C4'-P energy: -138.727
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -97.861
flat angles P-C4'-P energy: -64.783
tors. eta vs tors. theta energy: 9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2800.652007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.652007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.652007 (E_RNA)
where:
Base-Base interactions energy: -1949.929
where: short stacking energy: -786.976
Base-Backbone interact. energy: -0.543
local terms energy: -850.179667
where:
bonds (distance) C4'-P energy: -156.573
bonds (distance) P-C4' energy: -168.120
flat angles C4'-P-C4' energy: -183.713
flat angles P-C4'-P energy: -118.069
tors. eta vs tors. theta energy: -223.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2598.447763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.447763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.447763 (E_RNA)
where:
Base-Base interactions energy: -1779.900
where: short stacking energy: -747.042
Base-Backbone interact. energy: -1.237
local terms energy: -817.310605
where:
bonds (distance) C4'-P energy: -149.326
bonds (distance) P-C4' energy: -164.341
flat angles C4'-P-C4' energy: -169.822
flat angles P-C4'-P energy: -110.717
tors. eta vs tors. theta energy: -223.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2523.080912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.080912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.080912 (E_RNA)
where:
Base-Base interactions energy: -1731.990
where: short stacking energy: -737.868
Base-Backbone interact. energy: -3.693
local terms energy: -787.398441
where:
bonds (distance) C4'-P energy: -144.327
bonds (distance) P-C4' energy: -131.203
flat angles C4'-P-C4' energy: -182.230
flat angles P-C4'-P energy: -122.039
tors. eta vs tors. theta energy: -207.599
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: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2379.398097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.398097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.398097 (E_RNA)
where:
Base-Base interactions energy: -1606.297
where: short stacking energy: -689.367
Base-Backbone interact. energy: 0.399
local terms energy: -773.499847
where:
bonds (distance) C4'-P energy: -154.194
bonds (distance) P-C4' energy: -158.400
flat angles C4'-P-C4' energy: -148.884
flat angles P-C4'-P energy: -116.090
tors. eta vs tors. theta energy: -195.932
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2271.649246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.649246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.649246 (E_RNA)
where:
Base-Base interactions energy: -1519.408
where: short stacking energy: -669.115
Base-Backbone interact. energy: 1.401
local terms energy: -753.642100
where:
bonds (distance) C4'-P energy: -135.126
bonds (distance) P-C4' energy: -149.818
flat angles C4'-P-C4' energy: -162.494
flat angles P-C4'-P energy: -99.919
tors. eta vs tors. theta energy: -206.285
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: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2071.794333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.794333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.794333 (E_RNA)
where:
Base-Base interactions energy: -1398.593
where: short stacking energy: -580.510
Base-Backbone interact. energy: -3.444
local terms energy: -669.757480
where:
bonds (distance) C4'-P energy: -123.951
bonds (distance) P-C4' energy: -161.086
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -152.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1668.356625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.356625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.356625 (E_RNA)
where:
Base-Base interactions energy: -1095.736
where: short stacking energy: -464.420
Base-Backbone interact. energy: -1.124
local terms energy: -571.496767
where:
bonds (distance) C4'-P energy: -129.593
bonds (distance) P-C4' energy: -139.917
flat angles C4'-P-C4' energy: -115.819
flat angles P-C4'-P energy: -80.488
tors. eta vs tors. theta energy: -105.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1397.108561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.108561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.108561 (E_RNA)
where:
Base-Base interactions energy: -874.931
where: short stacking energy: -412.551
Base-Backbone interact. energy: 5.990
local terms energy: -528.167729
where:
bonds (distance) C4'-P energy: -125.613
bonds (distance) P-C4' energy: -162.839
flat angles C4'-P-C4' energy: -112.498
flat angles P-C4'-P energy: -56.213
tors. eta vs tors. theta energy: -71.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -878.837971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.837971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.837971 (E_RNA)
where:
Base-Base interactions energy: -429.084
where: short stacking energy: -218.955
Base-Backbone interact. energy: 0.308
local terms energy: -450.062450
where:
bonds (distance) C4'-P energy: -112.528
bonds (distance) P-C4' energy: -136.937
flat angles C4'-P-C4' energy: -115.321
flat angles P-C4'-P energy: -81.764
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -738.489735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.489735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.489735 (E_RNA)
where:
Base-Base interactions energy: -292.342
where: short stacking energy: -180.290
Base-Backbone interact. energy: 0.050
local terms energy: -446.197460
where:
bonds (distance) C4'-P energy: -137.320
bonds (distance) P-C4' energy: -149.764
flat angles C4'-P-C4' energy: -107.949
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: 23.674
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: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2832.812958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.812958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.812958 (E_RNA)
where:
Base-Base interactions energy: -1965.079
where: short stacking energy: -798.378
Base-Backbone interact. energy: -2.713
local terms energy: -865.021069
where:
bonds (distance) C4'-P energy: -144.549
bonds (distance) P-C4' energy: -179.237
flat angles C4'-P-C4' energy: -196.901
flat angles P-C4'-P energy: -119.238
tors. eta vs tors. theta energy: -225.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2585.179048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.179048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.179048 (E_RNA)
where:
Base-Base interactions energy: -1761.292
where: short stacking energy: -754.704
Base-Backbone interact. energy: 0.105
local terms energy: -823.991996
where:
bonds (distance) C4'-P energy: -159.088
bonds (distance) P-C4' energy: -134.758
flat angles C4'-P-C4' energy: -183.837
flat angles P-C4'-P energy: -125.134
tors. eta vs tors. theta energy: -221.175
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: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2493.477876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.477876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.477876 (E_RNA)
where:
Base-Base interactions energy: -1687.177
where: short stacking energy: -680.917
Base-Backbone interact. energy: -5.481
local terms energy: -800.819757
where:
bonds (distance) C4'-P energy: -144.878
bonds (distance) P-C4' energy: -149.512
flat angles C4'-P-C4' energy: -187.548
flat angles P-C4'-P energy: -107.992
tors. eta vs tors. theta energy: -210.891
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: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2417.003169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.003169 (E_RNA)
where:
Base-Base interactions energy: -1643.286
where: short stacking energy: -704.332
Base-Backbone interact. energy: -1.929
local terms energy: -771.787845
where:
bonds (distance) C4'-P energy: -148.023
bonds (distance) P-C4' energy: -147.922
flat angles C4'-P-C4' energy: -168.881
flat angles P-C4'-P energy: -123.868
tors. eta vs tors. theta energy: -183.093
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: 295
Temperature: 1.100000
Total energy: -2226.833402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.833402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.833402 (E_RNA)
where:
Base-Base interactions energy: -1483.439
where: short stacking energy: -652.840
Base-Backbone interact. energy: -0.326
local terms energy: -743.069070
where:
bonds (distance) C4'-P energy: -159.419
bonds (distance) P-C4' energy: -127.754
flat angles C4'-P-C4' energy: -151.705
flat angles P-C4'-P energy: -106.672
tors. eta vs tors. theta energy: -197.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2090.527946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.527946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.527946 (E_RNA)
where:
Base-Base interactions energy: -1407.936
where: short stacking energy: -603.304
Base-Backbone interact. energy: -2.032
local terms energy: -680.559291
where:
bonds (distance) C4'-P energy: -149.736
bonds (distance) P-C4' energy: -142.771
flat angles C4'-P-C4' energy: -136.369
flat angles P-C4'-P energy: -92.888
tors. eta vs tors. theta energy: -158.795
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: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1685.999628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.999628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.999628 (E_RNA)
where:
Base-Base interactions energy: -1099.427
where: short stacking energy: -484.865
Base-Backbone interact. energy: -0.870
local terms energy: -585.702922
where:
bonds (distance) C4'-P energy: -131.906
bonds (distance) P-C4' energy: -133.366
flat angles C4'-P-C4' energy: -147.014
flat angles P-C4'-P energy: -91.265
tors. eta vs tors. theta energy: -82.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1341.431324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.431324 (E_RNA)
where:
Base-Base interactions energy: -798.117
where: short stacking energy: -373.648
Base-Backbone interact. energy: 5.063
local terms energy: -548.378105
where:
bonds (distance) C4'-P energy: -116.716
bonds (distance) P-C4' energy: -151.802
flat angles C4'-P-C4' energy: -141.063
flat angles P-C4'-P energy: -91.314
tors. eta vs tors. theta energy: -47.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -960.026984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.026984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.026984 (E_RNA)
where:
Base-Base interactions energy: -494.654
where: short stacking energy: -272.271
Base-Backbone interact. energy: -3.384
local terms energy: -461.989111
where:
bonds (distance) C4'-P energy: -136.311
bonds (distance) P-C4' energy: -107.693
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -86.611
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -744.404127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.404127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.404127 (E_RNA)
where:
Base-Base interactions energy: -292.676
where: short stacking energy: -186.494
Base-Backbone interact. energy: 12.614
local terms energy: -464.342533
where:
bonds (distance) C4'-P energy: -142.712
bonds (distance) P-C4' energy: -135.501
flat angles C4'-P-C4' energy: -116.713
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: 6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2807.199768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.199768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.199768 (E_RNA)
where:
Base-Base interactions energy: -1952.451
where: short stacking energy: -790.430
Base-Backbone interact. energy: 3.168
local terms energy: -857.917576
where:
bonds (distance) C4'-P energy: -164.056
bonds (distance) P-C4' energy: -167.957
flat angles C4'-P-C4' energy: -183.201
flat angles P-C4'-P energy: -119.036
tors. eta vs tors. theta energy: -223.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2623.010731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.010731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.010731 (E_RNA)
where:
Base-Base interactions energy: -1759.529
where: short stacking energy: -768.949
Base-Backbone interact. energy: -4.641
local terms energy: -858.840131
where:
bonds (distance) C4'-P energy: -159.942
bonds (distance) P-C4' energy: -167.241
flat angles C4'-P-C4' energy: -192.515
flat angles P-C4'-P energy: -111.491
tors. eta vs tors. theta energy: -227.651
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2456.860968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.860968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.860968 (E_RNA)
where:
Base-Base interactions energy: -1695.069
where: short stacking energy: -720.505
Base-Backbone interact. energy: -0.725
local terms energy: -761.066261
where:
bonds (distance) C4'-P energy: -141.466
bonds (distance) P-C4' energy: -147.964
flat angles C4'-P-C4' energy: -164.470
flat angles P-C4'-P energy: -117.697
tors. eta vs tors. theta energy: -189.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2347.400156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.400156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.400156 (E_RNA)
where:
Base-Base interactions energy: -1572.682
where: short stacking energy: -660.343
Base-Backbone interact. energy: -5.181
local terms energy: -769.537104
where:
bonds (distance) C4'-P energy: -134.178
bonds (distance) P-C4' energy: -164.882
flat angles C4'-P-C4' energy: -161.863
flat angles P-C4'-P energy: -115.911
tors. eta vs tors. theta energy: -192.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2200.568092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.568092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.568092 (E_RNA)
where:
Base-Base interactions energy: -1448.026
where: short stacking energy: -644.114
Base-Backbone interact. energy: -1.447
local terms energy: -751.095567
where:
bonds (distance) C4'-P energy: -134.063
bonds (distance) P-C4' energy: -139.907
flat angles C4'-P-C4' energy: -169.069
flat angles P-C4'-P energy: -110.645
tors. eta vs tors. theta energy: -197.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2095.563300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.563300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.563300 (E_RNA)
where:
Base-Base interactions energy: -1424.121
where: short stacking energy: -601.467
Base-Backbone interact. energy: -0.501
local terms energy: -670.941550
where:
bonds (distance) C4'-P energy: -128.917
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -172.644
flat angles P-C4'-P energy: -91.897
tors. eta vs tors. theta energy: -150.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1700.838316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.838316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.838316 (E_RNA)
where:
Base-Base interactions energy: -1092.700
where: short stacking energy: -504.576
Base-Backbone interact. energy: -2.500
local terms energy: -605.639180
where:
bonds (distance) C4'-P energy: -125.923
bonds (distance) P-C4' energy: -159.998
flat angles C4'-P-C4' energy: -133.169
flat angles P-C4'-P energy: -84.590
tors. eta vs tors. theta energy: -101.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1352.507939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.507939 (E_RNA)
where:
Base-Base interactions energy: -807.342
where: short stacking energy: -361.140
Base-Backbone interact. energy: -2.101
local terms energy: -543.064290
where:
bonds (distance) C4'-P energy: -137.813
bonds (distance) P-C4' energy: -147.006
flat angles C4'-P-C4' energy: -135.456
flat angles P-C4'-P energy: -69.724
tors. eta vs tors. theta energy: -53.065
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: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -957.434081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.434081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.434081 (E_RNA)
where:
Base-Base interactions energy: -481.866
where: short stacking energy: -259.003
Base-Backbone interact. energy: -1.230
local terms energy: -474.337536
where:
bonds (distance) C4'-P energy: -132.414
bonds (distance) P-C4' energy: -147.814
flat angles C4'-P-C4' energy: -107.849
flat angles P-C4'-P energy: -65.361
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -713.539866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.539866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.539866 (E_RNA)
where:
Base-Base interactions energy: -317.692
where: short stacking energy: -216.231
Base-Backbone interact. energy: 3.622
local terms energy: -399.470379
where:
bonds (distance) C4'-P energy: -128.950
bonds (distance) P-C4' energy: -112.357
flat angles C4'-P-C4' energy: -121.721
flat angles P-C4'-P energy: -64.757
tors. eta vs tors. theta energy: 28.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2847.627589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.627589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.627589 (E_RNA)
where:
Base-Base interactions energy: -1975.506
where: short stacking energy: -790.499
Base-Backbone interact. energy: -2.557
local terms energy: -869.564337
where:
bonds (distance) C4'-P energy: -176.465
bonds (distance) P-C4' energy: -166.512
flat angles C4'-P-C4' energy: -178.201
flat angles P-C4'-P energy: -128.889
tors. eta vs tors. theta energy: -219.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2603.649811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.649811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.649811 (E_RNA)
where:
Base-Base interactions energy: -1762.976
where: short stacking energy: -767.301
Base-Backbone interact. energy: -3.583
local terms energy: -837.090802
where:
bonds (distance) C4'-P energy: -167.445
bonds (distance) P-C4' energy: -157.304
flat angles C4'-P-C4' energy: -172.817
flat angles P-C4'-P energy: -117.304
tors. eta vs tors. theta energy: -222.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2507.310917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.310917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.310917 (E_RNA)
where:
Base-Base interactions energy: -1726.183
where: short stacking energy: -710.076
Base-Backbone interact. energy: 0.835
local terms energy: -781.963445
where:
bonds (distance) C4'-P energy: -153.627
bonds (distance) P-C4' energy: -162.164
flat angles C4'-P-C4' energy: -166.611
flat angles P-C4'-P energy: -108.167
tors. eta vs tors. theta energy: -191.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2399.083602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.083602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.083602 (E_RNA)
where:
Base-Base interactions energy: -1624.230
where: short stacking energy: -677.747
Base-Backbone interact. energy: -2.778
local terms energy: -772.075566
where:
bonds (distance) C4'-P energy: -151.898
bonds (distance) P-C4' energy: -149.060
flat angles C4'-P-C4' energy: -168.854
flat angles P-C4'-P energy: -109.619
tors. eta vs tors. theta energy: -192.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2236.940849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.940849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.940849 (E_RNA)
where:
Base-Base interactions energy: -1489.786
where: short stacking energy: -648.948
Base-Backbone interact. energy: -1.337
local terms energy: -745.817563
where:
bonds (distance) C4'-P energy: -122.189
bonds (distance) P-C4' energy: -159.126
flat angles C4'-P-C4' energy: -161.293
flat angles P-C4'-P energy: -115.197
tors. eta vs tors. theta energy: -188.012
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: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2034.861408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.861408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.861408 (E_RNA)
where:
Base-Base interactions energy: -1373.675
where: short stacking energy: -607.175
Base-Backbone interact. energy: 2.220
local terms energy: -663.406386
where:
bonds (distance) C4'-P energy: -129.630
bonds (distance) P-C4' energy: -143.266
flat angles C4'-P-C4' energy: -142.187
flat angles P-C4'-P energy: -94.724
tors. eta vs tors. theta energy: -153.600
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: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1759.448460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.448460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.448460 (E_RNA)
where:
Base-Base interactions energy: -1124.438
where: short stacking energy: -480.857
Base-Backbone interact. energy: -3.659
local terms energy: -631.352091
where:
bonds (distance) C4'-P energy: -132.509
bonds (distance) P-C4' energy: -151.034
flat angles C4'-P-C4' energy: -140.169
flat angles P-C4'-P energy: -99.337
tors. eta vs tors. theta energy: -108.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1360.939519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.939519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.939519 (E_RNA)
where:
Base-Base interactions energy: -824.969
where: short stacking energy: -384.886
Base-Backbone interact. energy: 1.404
local terms energy: -537.374682
where:
bonds (distance) C4'-P energy: -127.817
bonds (distance) P-C4' energy: -138.991
flat angles C4'-P-C4' energy: -136.414
flat angles P-C4'-P energy: -67.052
tors. eta vs tors. theta energy: -67.101
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: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -904.446898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.446898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.446898 (E_RNA)
where:
Base-Base interactions energy: -469.905
where: short stacking energy: -258.702
Base-Backbone interact. energy: 4.018
local terms energy: -438.560163
where:
bonds (distance) C4'-P energy: -104.659
bonds (distance) P-C4' energy: -135.869
flat angles C4'-P-C4' energy: -106.960
flat angles P-C4'-P energy: -71.056
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -739.226827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.226827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.226827 (E_RNA)
where:
Base-Base interactions energy: -308.330
where: short stacking energy: -213.964
Base-Backbone interact. energy: 1.163
local terms energy: -432.059883
where:
bonds (distance) C4'-P energy: -115.598
bonds (distance) P-C4' energy: -163.012
flat angles C4'-P-C4' energy: -113.911
flat angles P-C4'-P energy: -63.076
tors. eta vs tors. theta energy: 23.537
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2836.753660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.753660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.753660 (E_RNA)
where:
Base-Base interactions energy: -1973.738
where: short stacking energy: -782.948
Base-Backbone interact. energy: -1.883
local terms energy: -861.132787
where:
bonds (distance) C4'-P energy: -169.861
bonds (distance) P-C4' energy: -165.278
flat angles C4'-P-C4' energy: -183.720
flat angles P-C4'-P energy: -116.096
tors. eta vs tors. theta energy: -226.177
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: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2587.690648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.690648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.690648 (E_RNA)
where:
Base-Base interactions energy: -1754.305
where: short stacking energy: -774.690
Base-Backbone interact. energy: -1.698
local terms energy: -831.688063
where:
bonds (distance) C4'-P energy: -140.968
bonds (distance) P-C4' energy: -151.489
flat angles C4'-P-C4' energy: -186.963
flat angles P-C4'-P energy: -116.648
tors. eta vs tors. theta energy: -235.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2510.422799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.422799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.422799 (E_RNA)
where:
Base-Base interactions energy: -1693.856
where: short stacking energy: -695.596
Base-Backbone interact. energy: 0.048
local terms energy: -816.614741
where:
bonds (distance) C4'-P energy: -142.579
bonds (distance) P-C4' energy: -175.899
flat angles C4'-P-C4' energy: -176.481
flat angles P-C4'-P energy: -113.571
tors. eta vs tors. theta energy: -208.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2386.480131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.480131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.480131 (E_RNA)
where:
Base-Base interactions energy: -1667.837
where: short stacking energy: -704.236
Base-Backbone interact. energy: -1.478
local terms energy: -717.164951
where:
bonds (distance) C4'-P energy: -140.981
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -163.212
flat angles P-C4'-P energy: -91.442
tors. eta vs tors. theta energy: -199.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2210.775736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.775736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.775736 (E_RNA)
where:
Base-Base interactions energy: -1467.383
where: short stacking energy: -683.672
Base-Backbone interact. energy: -0.912
local terms energy: -742.481257
where:
bonds (distance) C4'-P energy: -124.267
bonds (distance) P-C4' energy: -145.216
flat angles C4'-P-C4' energy: -174.093
flat angles P-C4'-P energy: -100.367
tors. eta vs tors. theta energy: -198.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1987.930535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.930535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.930535 (E_RNA)
where:
Base-Base interactions energy: -1284.045
where: short stacking energy: -584.529
Base-Backbone interact. energy: -2.208
local terms energy: -701.678298
where:
bonds (distance) C4'-P energy: -148.315
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -168.581
flat angles P-C4'-P energy: -110.380
tors. eta vs tors. theta energy: -143.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1684.856225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.856225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.856225 (E_RNA)
where:
Base-Base interactions energy: -1075.392
where: short stacking energy: -453.312
Base-Backbone interact. energy: -4.211
local terms energy: -605.252961
where:
bonds (distance) C4'-P energy: -135.549
bonds (distance) P-C4' energy: -153.222
flat angles C4'-P-C4' energy: -135.932
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -96.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1364.063617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.063617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.063617 (E_RNA)
where:
Base-Base interactions energy: -827.102
where: short stacking energy: -373.964
Base-Backbone interact. energy: -2.445
local terms energy: -534.516677
where:
bonds (distance) C4'-P energy: -137.207
bonds (distance) P-C4' energy: -146.876
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -68.475
tors. eta vs tors. theta energy: -55.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -937.138918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.138918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.138918 (E_RNA)
where:
Base-Base interactions energy: -505.725
where: short stacking energy: -273.351
Base-Backbone interact. energy: 5.377
local terms energy: -436.791726
where:
bonds (distance) C4'-P energy: -112.188
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -122.042
flat angles P-C4'-P energy: -66.150
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -715.044421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.044421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.044421 (E_RNA)
where:
Base-Base interactions energy: -275.701
where: short stacking energy: -188.455
Base-Backbone interact. energy: 4.107
local terms energy: -443.450244
where:
bonds (distance) C4'-P energy: -146.588
bonds (distance) P-C4' energy: -128.824
flat angles C4'-P-C4' energy: -121.389
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: 23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2834.327885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.327885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.327885 (E_RNA)
where:
Base-Base interactions energy: -1956.782
where: short stacking energy: -778.383
Base-Backbone interact. energy: -2.258
local terms energy: -875.287070
where:
bonds (distance) C4'-P energy: -175.888
bonds (distance) P-C4' energy: -163.163
flat angles C4'-P-C4' energy: -181.478
flat angles P-C4'-P energy: -127.781
tors. eta vs tors. theta energy: -226.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2579.908508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.908508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.908508 (E_RNA)
where:
Base-Base interactions energy: -1759.518
where: short stacking energy: -737.651
Base-Backbone interact. energy: -2.700
local terms energy: -817.690316
where:
bonds (distance) C4'-P energy: -155.671
bonds (distance) P-C4' energy: -157.215
flat angles C4'-P-C4' energy: -174.697
flat angles P-C4'-P energy: -110.144
tors. eta vs tors. theta energy: -219.964
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: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2514.318706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.318706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.318706 (E_RNA)
where:
Base-Base interactions energy: -1731.285
where: short stacking energy: -709.850
Base-Backbone interact. energy: -3.994
local terms energy: -779.040445
where:
bonds (distance) C4'-P energy: -153.022
bonds (distance) P-C4' energy: -148.768
flat angles C4'-P-C4' energy: -163.533
flat angles P-C4'-P energy: -99.762
tors. eta vs tors. theta energy: -213.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2368.201995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.201995 (E_RNA)
where:
Base-Base interactions energy: -1605.672
where: short stacking energy: -658.984
Base-Backbone interact. energy: -1.739
local terms energy: -760.791401
where:
bonds (distance) C4'-P energy: -148.759
bonds (distance) P-C4' energy: -160.277
flat angles C4'-P-C4' energy: -159.417
flat angles P-C4'-P energy: -114.456
tors. eta vs tors. theta energy: -177.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2245.854598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.854598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.854598 (E_RNA)
where:
Base-Base interactions energy: -1496.399
where: short stacking energy: -679.925
Base-Backbone interact. energy: -1.699
local terms energy: -747.756081
where:
bonds (distance) C4'-P energy: -135.636
bonds (distance) P-C4' energy: -154.997
flat angles C4'-P-C4' energy: -146.052
flat angles P-C4'-P energy: -105.443
tors. eta vs tors. theta energy: -205.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2003.358336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.358336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.358336 (E_RNA)
where:
Base-Base interactions energy: -1316.897
where: short stacking energy: -587.477
Base-Backbone interact. energy: -0.829
local terms energy: -685.632492
where:
bonds (distance) C4'-P energy: -137.300
bonds (distance) P-C4' energy: -146.369
flat angles C4'-P-C4' energy: -162.511
flat angles P-C4'-P energy: -92.455
tors. eta vs tors. theta energy: -146.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1673.519378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.519378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.519378 (E_RNA)
where:
Base-Base interactions energy: -1018.245
where: short stacking energy: -463.636
Base-Backbone interact. energy: -0.887
local terms energy: -654.387708
where:
bonds (distance) C4'-P energy: -149.340
bonds (distance) P-C4' energy: -160.624
flat angles C4'-P-C4' energy: -149.056
flat angles P-C4'-P energy: -90.297
tors. eta vs tors. theta energy: -105.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1386.132645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.132645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.132645 (E_RNA)
where:
Base-Base interactions energy: -792.863
where: short stacking energy: -334.474
Base-Backbone interact. energy: -3.553
local terms energy: -589.715882
where:
bonds (distance) C4'-P energy: -151.681
bonds (distance) P-C4' energy: -131.338
flat angles C4'-P-C4' energy: -130.171
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -83.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -961.355308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.355308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.355308 (E_RNA)
where:
Base-Base interactions energy: -511.916
where: short stacking energy: -303.400
Base-Backbone interact. energy: 3.492
local terms energy: -454.239683
where:
bonds (distance) C4'-P energy: -122.467
bonds (distance) P-C4' energy: -115.044
flat angles C4'-P-C4' energy: -115.559
flat angles P-C4'-P energy: -73.184
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.308 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -682.613853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.613853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.613853 (E_RNA)
where:
Base-Base interactions energy: -294.286
where: short stacking energy: -185.824
Base-Backbone interact. energy: 1.656
local terms energy: -389.984448
where:
bonds (distance) C4'-P energy: -126.732
bonds (distance) P-C4' energy: -139.300
flat angles C4'-P-C4' energy: -120.804
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: 38.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2823.916636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.916636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.916636 (E_RNA)
where:
Base-Base interactions energy: -1954.920
where: short stacking energy: -762.702
Base-Backbone interact. energy: -1.747
local terms energy: -867.249099
where:
bonds (distance) C4'-P energy: -165.589
bonds (distance) P-C4' energy: -161.994
flat angles C4'-P-C4' energy: -181.322
flat angles P-C4'-P energy: -125.243
tors. eta vs tors. theta energy: -233.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2588.763686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.763686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.763686 (E_RNA)
where:
Base-Base interactions energy: -1756.284
where: short stacking energy: -727.772
Base-Backbone interact. energy: -1.700
local terms energy: -830.779563
where:
bonds (distance) C4'-P energy: -157.547
bonds (distance) P-C4' energy: -174.269
flat angles C4'-P-C4' energy: -173.646
flat angles P-C4'-P energy: -111.509
tors. eta vs tors. theta energy: -213.808
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: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2514.996719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.996719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.996719 (E_RNA)
where:
Base-Base interactions energy: -1715.817
where: short stacking energy: -732.841
Base-Backbone interact. energy: -5.480
local terms energy: -793.700089
where:
bonds (distance) C4'-P energy: -151.669
bonds (distance) P-C4' energy: -136.945
flat angles C4'-P-C4' energy: -175.779
flat angles P-C4'-P energy: -123.683
tors. eta vs tors. theta energy: -205.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2399.194048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.194048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.194048 (E_RNA)
where:
Base-Base interactions energy: -1634.436
where: short stacking energy: -691.478
Base-Backbone interact. energy: -2.253
local terms energy: -762.504278
where:
bonds (distance) C4'-P energy: -145.021
bonds (distance) P-C4' energy: -147.032
flat angles C4'-P-C4' energy: -172.705
flat angles P-C4'-P energy: -106.466
tors. eta vs tors. theta energy: -191.280
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: 300
Temperature: 1.100000
Total energy: -2260.926952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.926952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.926952 (E_RNA)
where:
Base-Base interactions energy: -1484.763
where: short stacking energy: -661.489
Base-Backbone interact. energy: -1.058
local terms energy: -775.105543
where:
bonds (distance) C4'-P energy: -146.640
bonds (distance) P-C4' energy: -147.022
flat angles C4'-P-C4' energy: -173.653
flat angles P-C4'-P energy: -105.288
tors. eta vs tors. theta energy: -202.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2038.438402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.438402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.438402 (E_RNA)
where:
Base-Base interactions energy: -1370.162
where: short stacking energy: -574.389
Base-Backbone interact. energy: -1.798
local terms energy: -666.478349
where:
bonds (distance) C4'-P energy: -145.831
bonds (distance) P-C4' energy: -146.816
flat angles C4'-P-C4' energy: -137.390
flat angles P-C4'-P energy: -86.554
tors. eta vs tors. theta energy: -149.887
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: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1655.426015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.426015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.426015 (E_RNA)
where:
Base-Base interactions energy: -1072.113
where: short stacking energy: -475.895
Base-Backbone interact. energy: 6.168
local terms energy: -589.480792
where:
bonds (distance) C4'-P energy: -137.862
bonds (distance) P-C4' energy: -134.221
flat angles C4'-P-C4' energy: -127.163
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -94.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1387.338874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.338874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.338874 (E_RNA)
where:
Base-Base interactions energy: -867.202
where: short stacking energy: -388.586
Base-Backbone interact. energy: -3.965
local terms energy: -516.172454
where:
bonds (distance) C4'-P energy: -123.401
bonds (distance) P-C4' energy: -127.543
flat angles C4'-P-C4' energy: -127.236
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -76.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1003.827765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.827765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.827765 (E_RNA)
where:
Base-Base interactions energy: -554.971
where: short stacking energy: -288.810
Base-Backbone interact. energy: 0.446
local terms energy: -449.302732
where:
bonds (distance) C4'-P energy: -126.413
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -118.841
flat angles P-C4'-P energy: -72.084
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -692.059485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.059485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.059485 (E_RNA)
where:
Base-Base interactions energy: -270.855
where: short stacking energy: -184.018
Base-Backbone interact. energy: 8.264
local terms energy: -429.469077
where:
bonds (distance) C4'-P energy: -139.777
bonds (distance) P-C4' energy: -121.774
flat angles C4'-P-C4' energy: -123.651
flat angles P-C4'-P energy: -59.914
tors. eta vs tors. theta energy: 15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2836.533765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.533765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.533765 (E_RNA)
where:
Base-Base interactions energy: -1982.985
where: short stacking energy: -797.375
Base-Backbone interact. energy: -0.308
local terms energy: -853.240608
where:
bonds (distance) C4'-P energy: -155.104
bonds (distance) P-C4' energy: -161.095
flat angles C4'-P-C4' energy: -188.464
flat angles P-C4'-P energy: -122.411
tors. eta vs tors. theta energy: -226.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2611.031038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.031038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.031038 (E_RNA)
where:
Base-Base interactions energy: -1785.580
where: short stacking energy: -776.600
Base-Backbone interact. energy: -3.032
local terms energy: -822.419734
where:
bonds (distance) C4'-P energy: -145.460
bonds (distance) P-C4' energy: -160.781
flat angles C4'-P-C4' energy: -169.718
flat angles P-C4'-P energy: -119.649
tors. eta vs tors. theta energy: -226.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2480.957644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.957644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.957644 (E_RNA)
where:
Base-Base interactions energy: -1686.371
where: short stacking energy: -702.897
Base-Backbone interact. energy: 1.175
local terms energy: -795.761364
where:
bonds (distance) C4'-P energy: -154.671
bonds (distance) P-C4' energy: -152.212
flat angles C4'-P-C4' energy: -173.475
flat angles P-C4'-P energy: -121.835
tors. eta vs tors. theta energy: -193.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2357.680176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.680176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.680176 (E_RNA)
where:
Base-Base interactions energy: -1603.808
where: short stacking energy: -677.968
Base-Backbone interact. energy: -1.315
local terms energy: -752.557060
where:
bonds (distance) C4'-P energy: -140.952
bonds (distance) P-C4' energy: -165.870
flat angles C4'-P-C4' energy: -158.629
flat angles P-C4'-P energy: -98.080
tors. eta vs tors. theta energy: -189.026
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2292.500958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.500958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.500958 (E_RNA)
where:
Base-Base interactions energy: -1535.579
where: short stacking energy: -669.565
Base-Backbone interact. energy: 3.308
local terms energy: -760.230601
where:
bonds (distance) C4'-P energy: -144.618
bonds (distance) P-C4' energy: -146.294
flat angles C4'-P-C4' energy: -170.575
flat angles P-C4'-P energy: -92.730
tors. eta vs tors. theta energy: -206.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2090.397662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.397662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.397662 (E_RNA)
where:
Base-Base interactions energy: -1389.699
where: short stacking energy: -621.441
Base-Backbone interact. energy: 0.126
local terms energy: -700.824008
where:
bonds (distance) C4'-P energy: -140.692
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -159.194
flat angles P-C4'-P energy: -98.365
tors. eta vs tors. theta energy: -158.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1636.464500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.464500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.464500 (E_RNA)
where:
Base-Base interactions energy: -1041.457
where: short stacking energy: -470.863
Base-Backbone interact. energy: 0.069
local terms energy: -595.075800
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -136.176
flat angles C4'-P-C4' energy: -129.052
flat angles P-C4'-P energy: -94.192
tors. eta vs tors. theta energy: -100.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1376.053445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.053445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.053445 (E_RNA)
where:
Base-Base interactions energy: -835.060
where: short stacking energy: -395.686
Base-Backbone interact. energy: 2.289
local terms energy: -543.282488
where:
bonds (distance) C4'-P energy: -136.722
bonds (distance) P-C4' energy: -124.605
flat angles C4'-P-C4' energy: -123.810
flat angles P-C4'-P energy: -80.228
tors. eta vs tors. theta energy: -77.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1016.756777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.756777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.756777 (E_RNA)
where:
Base-Base interactions energy: -514.365
where: short stacking energy: -293.648
Base-Backbone interact. energy: 1.632
local terms energy: -505.020211
where:
bonds (distance) C4'-P energy: -130.698
bonds (distance) P-C4' energy: -142.194
flat angles C4'-P-C4' energy: -134.705
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.996 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -705.622965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.622965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.622965 (E_RNA)
where:
Base-Base interactions energy: -312.481
where: short stacking energy: -208.864
Base-Backbone interact. energy: -0.469
local terms energy: -392.673113
where:
bonds (distance) C4'-P energy: -128.827
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -124.506
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: 21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2879.510762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.510762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.510762 (E_RNA)
where:
Base-Base interactions energy: -2008.467
where: short stacking energy: -799.736
Base-Backbone interact. energy: 1.101
local terms energy: -872.144074
where:
bonds (distance) C4'-P energy: -155.212
bonds (distance) P-C4' energy: -181.881
flat angles C4'-P-C4' energy: -181.234
flat angles P-C4'-P energy: -120.879
tors. eta vs tors. theta energy: -232.937
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2620.811877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.811877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.811877 (E_RNA)
where:
Base-Base interactions energy: -1805.153
where: short stacking energy: -789.101
Base-Backbone interact. energy: -2.997
local terms energy: -812.661845
where:
bonds (distance) C4'-P energy: -154.089
bonds (distance) P-C4' energy: -152.470
flat angles C4'-P-C4' energy: -170.255
flat angles P-C4'-P energy: -104.318
tors. eta vs tors. theta energy: -231.529
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: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2478.089297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.089297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.089297 (E_RNA)
where:
Base-Base interactions energy: -1679.564
where: short stacking energy: -695.333
Base-Backbone interact. energy: -3.516
local terms energy: -795.009164
where:
bonds (distance) C4'-P energy: -145.477
bonds (distance) P-C4' energy: -133.211
flat angles C4'-P-C4' energy: -184.568
flat angles P-C4'-P energy: -112.667
tors. eta vs tors. theta energy: -219.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2406.802898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.802898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.802898 (E_RNA)
where:
Base-Base interactions energy: -1655.721
where: short stacking energy: -705.165
Base-Backbone interact. energy: -1.600
local terms energy: -749.482375
where:
bonds (distance) C4'-P energy: -140.387
bonds (distance) P-C4' energy: -153.907
flat angles C4'-P-C4' energy: -160.638
flat angles P-C4'-P energy: -102.423
tors. eta vs tors. theta energy: -192.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2256.742168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.742168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.742168 (E_RNA)
where:
Base-Base interactions energy: -1490.882
where: short stacking energy: -644.072
Base-Backbone interact. energy: -0.145
local terms energy: -765.715390
where:
bonds (distance) C4'-P energy: -141.129
bonds (distance) P-C4' energy: -140.747
flat angles C4'-P-C4' energy: -163.817
flat angles P-C4'-P energy: -130.531
tors. eta vs tors. theta energy: -189.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2047.743072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.743072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.743072 (E_RNA)
where:
Base-Base interactions energy: -1369.297
where: short stacking energy: -595.502
Base-Backbone interact. energy: 2.772
local terms energy: -681.218039
where:
bonds (distance) C4'-P energy: -130.108
bonds (distance) P-C4' energy: -135.690
flat angles C4'-P-C4' energy: -145.647
flat angles P-C4'-P energy: -98.528
tors. eta vs tors. theta energy: -171.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1638.634971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.634971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.634971 (E_RNA)
where:
Base-Base interactions energy: -1047.096
where: short stacking energy: -483.880
Base-Backbone interact. energy: 0.615
local terms energy: -592.154360
where:
bonds (distance) C4'-P energy: -119.309
bonds (distance) P-C4' energy: -140.401
flat angles C4'-P-C4' energy: -141.659
flat angles P-C4'-P energy: -78.559
tors. eta vs tors. theta energy: -112.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1467.940179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.940179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.940179 (E_RNA)
where:
Base-Base interactions energy: -901.165
where: short stacking energy: -414.478
Base-Backbone interact. energy: -1.238
local terms energy: -565.536363
where:
bonds (distance) C4'-P energy: -128.557
bonds (distance) P-C4' energy: -147.846
flat angles C4'-P-C4' energy: -140.467
flat angles P-C4'-P energy: -76.085
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: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1018.319286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.319286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.319286 (E_RNA)
where:
Base-Base interactions energy: -549.119
where: short stacking energy: -294.644
Base-Backbone interact. energy: 4.169
local terms energy: -473.369831
where:
bonds (distance) C4'-P energy: -126.254
bonds (distance) P-C4' energy: -143.813
flat angles C4'-P-C4' energy: -116.357
flat angles P-C4'-P energy: -65.884
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -716.049172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.049172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.049172 (E_RNA)
where:
Base-Base interactions energy: -331.906
where: short stacking energy: -199.699
Base-Backbone interact. energy: 2.469
local terms energy: -386.612967
where:
bonds (distance) C4'-P energy: -117.881
bonds (distance) P-C4' energy: -131.259
flat angles C4'-P-C4' energy: -88.760
flat angles P-C4'-P energy: -66.153
tors. eta vs tors. theta energy: 17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2832.665750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.665750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.665750 (E_RNA)
where:
Base-Base interactions energy: -1973.586
where: short stacking energy: -789.650
Base-Backbone interact. energy: -1.874
local terms energy: -857.205122
where:
bonds (distance) C4'-P energy: -163.525
bonds (distance) P-C4' energy: -165.184
flat angles C4'-P-C4' energy: -177.096
flat angles P-C4'-P energy: -131.469
tors. eta vs tors. theta energy: -219.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2590.365524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.365524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.365524 (E_RNA)
where:
Base-Base interactions energy: -1758.701
where: short stacking energy: -779.149
Base-Backbone interact. energy: -2.687
local terms energy: -828.977444
where:
bonds (distance) C4'-P energy: -167.964
bonds (distance) P-C4' energy: -141.113
flat angles C4'-P-C4' energy: -173.514
flat angles P-C4'-P energy: -116.029
tors. eta vs tors. theta energy: -230.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2461.488454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.488454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.488454 (E_RNA)
where:
Base-Base interactions energy: -1677.732
where: short stacking energy: -719.733
Base-Backbone interact. energy: -3.037
local terms energy: -780.719882
where:
bonds (distance) C4'-P energy: -155.540
bonds (distance) P-C4' energy: -151.414
flat angles C4'-P-C4' energy: -165.984
flat angles P-C4'-P energy: -104.438
tors. eta vs tors. theta energy: -203.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2391.047324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.047324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.047324 (E_RNA)
where:
Base-Base interactions energy: -1628.130
where: short stacking energy: -681.042
Base-Backbone interact. energy: -3.974
local terms energy: -758.943646
where:
bonds (distance) C4'-P energy: -143.630
bonds (distance) P-C4' energy: -163.449
flat angles C4'-P-C4' energy: -162.652
flat angles P-C4'-P energy: -98.466
tors. eta vs tors. theta energy: -190.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2257.495988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.495988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.495988 (E_RNA)
where:
Base-Base interactions energy: -1526.617
where: short stacking energy: -661.484
Base-Backbone interact. energy: 1.533
local terms energy: -732.411908
where:
bonds (distance) C4'-P energy: -145.759
bonds (distance) P-C4' energy: -136.138
flat angles C4'-P-C4' energy: -155.474
flat angles P-C4'-P energy: -99.299
tors. eta vs tors. theta energy: -195.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2025.847799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.847799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.847799 (E_RNA)
where:
Base-Base interactions energy: -1356.083
where: short stacking energy: -599.091
Base-Backbone interact. energy: -3.944
local terms energy: -665.820494
where:
bonds (distance) C4'-P energy: -125.793
bonds (distance) P-C4' energy: -133.104
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: -160.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1632.159100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.159100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.159100 (E_RNA)
where:
Base-Base interactions energy: -1047.046
where: short stacking energy: -484.960
Base-Backbone interact. energy: -1.928
local terms energy: -583.185343
where:
bonds (distance) C4'-P energy: -127.623
bonds (distance) P-C4' energy: -138.840
flat angles C4'-P-C4' energy: -150.951
flat angles P-C4'-P energy: -77.587
tors. eta vs tors. theta energy: -88.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1322.876304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.876304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.876304 (E_RNA)
where:
Base-Base interactions energy: -785.598
where: short stacking energy: -372.496
Base-Backbone interact. energy: -1.794
local terms energy: -535.484601
where:
bonds (distance) C4'-P energy: -134.459
bonds (distance) P-C4' energy: -148.852
flat angles C4'-P-C4' energy: -127.027
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -55.302
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: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -960.322339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.322339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.322339 (E_RNA)
where:
Base-Base interactions energy: -509.511
where: short stacking energy: -269.391
Base-Backbone interact. energy: 1.075
local terms energy: -451.886440
where:
bonds (distance) C4'-P energy: -114.238
bonds (distance) P-C4' energy: -147.099
flat angles C4'-P-C4' energy: -98.832
flat angles P-C4'-P energy: -75.566
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -758.403012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.403012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.403012 (E_RNA)
where:
Base-Base interactions energy: -343.679
where: short stacking energy: -201.227
Base-Backbone interact. energy: -3.955
local terms energy: -410.769297
where:
bonds (distance) C4'-P energy: -132.760
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -99.171
flat angles P-C4'-P energy: -54.429
tors. eta vs tors. theta energy: 3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2800.373190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.373190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.373190 (E_RNA)
where:
Base-Base interactions energy: -1955.889
where: short stacking energy: -784.678
Base-Backbone interact. energy: -0.581
local terms energy: -843.903331
where:
bonds (distance) C4'-P energy: -159.955
bonds (distance) P-C4' energy: -161.391
flat angles C4'-P-C4' energy: -178.569
flat angles P-C4'-P energy: -114.231
tors. eta vs tors. theta energy: -229.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2620.039633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.039633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.039633 (E_RNA)
where:
Base-Base interactions energy: -1781.963
where: short stacking energy: -750.445
Base-Backbone interact. energy: -0.004
local terms energy: -838.071684
where:
bonds (distance) C4'-P energy: -142.437
bonds (distance) P-C4' energy: -167.382
flat angles C4'-P-C4' energy: -180.971
flat angles P-C4'-P energy: -112.987
tors. eta vs tors. theta energy: -234.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2523.233491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.233491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.233491 (E_RNA)
where:
Base-Base interactions energy: -1716.541
where: short stacking energy: -739.660
Base-Backbone interact. energy: -5.613
local terms energy: -801.079551
where:
bonds (distance) C4'-P energy: -150.613
bonds (distance) P-C4' energy: -175.821
flat angles C4'-P-C4' energy: -165.146
flat angles P-C4'-P energy: -97.808
tors. eta vs tors. theta energy: -211.691
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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2414.209858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.209858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.209858 (E_RNA)
where:
Base-Base interactions energy: -1646.274
where: short stacking energy: -707.247
Base-Backbone interact. energy: 1.083
local terms energy: -769.018544
where:
bonds (distance) C4'-P energy: -150.085
bonds (distance) P-C4' energy: -151.617
flat angles C4'-P-C4' energy: -168.137
flat angles P-C4'-P energy: -104.256
tors. eta vs tors. theta energy: -194.924
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: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2224.971904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.971904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.971904 (E_RNA)
where:
Base-Base interactions energy: -1493.252
where: short stacking energy: -694.002
Base-Backbone interact. energy: 0.030
local terms energy: -731.749867
where:
bonds (distance) C4'-P energy: -130.048
bonds (distance) P-C4' energy: -136.902
flat angles C4'-P-C4' energy: -173.888
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -196.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2052.811453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.811453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.811453 (E_RNA)
where:
Base-Base interactions energy: -1354.007
where: short stacking energy: -590.363
Base-Backbone interact. energy: 3.850
local terms energy: -702.654191
where:
bonds (distance) C4'-P energy: -148.463
bonds (distance) P-C4' energy: -139.764
flat angles C4'-P-C4' energy: -147.559
flat angles P-C4'-P energy: -105.454
tors. eta vs tors. theta energy: -161.415
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: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1638.923019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.923019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.923019 (E_RNA)
where:
Base-Base interactions energy: -1027.354
where: short stacking energy: -480.696
Base-Backbone interact. energy: -2.389
local terms energy: -609.179858
where:
bonds (distance) C4'-P energy: -131.612
bonds (distance) P-C4' energy: -133.299
flat angles C4'-P-C4' energy: -143.449
flat angles P-C4'-P energy: -102.038
tors. eta vs tors. theta energy: -98.782
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: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1301.180667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.180667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.180667 (E_RNA)
where:
Base-Base interactions energy: -787.727
where: short stacking energy: -380.867
Base-Backbone interact. energy: -1.036
local terms energy: -512.418095
where:
bonds (distance) C4'-P energy: -122.711
bonds (distance) P-C4' energy: -142.467
flat angles C4'-P-C4' energy: -127.358
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -42.299
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -989.411962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.411962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.411962 (E_RNA)
where:
Base-Base interactions energy: -492.862
where: short stacking energy: -288.297
Base-Backbone interact. energy: 5.474
local terms energy: -502.024041
where:
bonds (distance) C4'-P energy: -131.277
bonds (distance) P-C4' energy: -150.502
flat angles C4'-P-C4' energy: -136.232
flat angles P-C4'-P energy: -65.733
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -816.631874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.631874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.631874 (E_RNA)
where:
Base-Base interactions energy: -415.031
where: short stacking energy: -218.384
Base-Backbone interact. energy: 2.531
local terms energy: -404.131854
where:
bonds (distance) C4'-P energy: -111.883
bonds (distance) P-C4' energy: -138.490
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -67.968
tors. eta vs tors. theta energy: 24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2837.053613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.053613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.053613 (E_RNA)
where:
Base-Base interactions energy: -1948.834
where: short stacking energy: -801.275
Base-Backbone interact. energy: -3.646
local terms energy: -884.573898
where:
bonds (distance) C4'-P energy: -168.969
bonds (distance) P-C4' energy: -172.275
flat angles C4'-P-C4' energy: -187.198
flat angles P-C4'-P energy: -131.959
tors. eta vs tors. theta energy: -224.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2598.208765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.208765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.208765 (E_RNA)
where:
Base-Base interactions energy: -1756.845
where: short stacking energy: -770.123
Base-Backbone interact. energy: -2.651
local terms energy: -838.712768
where:
bonds (distance) C4'-P energy: -153.103
bonds (distance) P-C4' energy: -165.163
flat angles C4'-P-C4' energy: -177.093
flat angles P-C4'-P energy: -111.069
tors. eta vs tors. theta energy: -232.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2507.440465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.440465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.440465 (E_RNA)
where:
Base-Base interactions energy: -1686.743
where: short stacking energy: -736.679
Base-Backbone interact. energy: -3.217
local terms energy: -817.480783
where:
bonds (distance) C4'-P energy: -156.743
bonds (distance) P-C4' energy: -154.112
flat angles C4'-P-C4' energy: -176.588
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -217.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2411.541444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.541444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.541444 (E_RNA)
where:
Base-Base interactions energy: -1641.436
where: short stacking energy: -708.047
Base-Backbone interact. energy: -3.840
local terms energy: -766.265484
where:
bonds (distance) C4'-P energy: -146.045
bonds (distance) P-C4' energy: -128.404
flat angles C4'-P-C4' energy: -174.027
flat angles P-C4'-P energy: -106.443
tors. eta vs tors. theta energy: -211.347
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: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2173.988212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.988212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.988212 (E_RNA)
where:
Base-Base interactions energy: -1452.735
where: short stacking energy: -631.777
Base-Backbone interact. energy: -1.643
local terms energy: -719.609593
where:
bonds (distance) C4'-P energy: -128.688
bonds (distance) P-C4' energy: -148.864
flat angles C4'-P-C4' energy: -160.890
flat angles P-C4'-P energy: -104.789
tors. eta vs tors. theta energy: -176.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2046.647336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.647336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.647336 (E_RNA)
where:
Base-Base interactions energy: -1365.558
where: short stacking energy: -616.460
Base-Backbone interact. energy: -2.391
local terms energy: -678.697374
where:
bonds (distance) C4'-P energy: -122.741
bonds (distance) P-C4' energy: -154.417
flat angles C4'-P-C4' energy: -149.684
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -153.080
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1704.514935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.514935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.514935 (E_RNA)
where:
Base-Base interactions energy: -1084.854
where: short stacking energy: -486.184
Base-Backbone interact. energy: -3.571
local terms energy: -616.090387
where:
bonds (distance) C4'-P energy: -126.087
bonds (distance) P-C4' energy: -138.997
flat angles C4'-P-C4' energy: -151.145
flat angles P-C4'-P energy: -92.568
tors. eta vs tors. theta energy: -107.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1311.418606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.418606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.418606 (E_RNA)
where:
Base-Base interactions energy: -786.556
where: short stacking energy: -359.929
Base-Backbone interact. energy: 3.686
local terms energy: -528.548674
where:
bonds (distance) C4'-P energy: -111.562
bonds (distance) P-C4' energy: -141.488
flat angles C4'-P-C4' energy: -140.670
flat angles P-C4'-P energy: -79.894
tors. eta vs tors. theta energy: -54.935
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -961.672560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.672560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.672560 (E_RNA)
where:
Base-Base interactions energy: -497.865
where: short stacking energy: -266.201
Base-Backbone interact. energy: -2.896
local terms energy: -460.912077
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -146.590
flat angles C4'-P-C4' energy: -121.399
flat angles P-C4'-P energy: -52.303
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -865.730405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.730405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.730405 (E_RNA)
where:
Base-Base interactions energy: -451.826
where: short stacking energy: -256.401
Base-Backbone interact. energy: 1.607
local terms energy: -415.511863
where:
bonds (distance) C4'-P energy: -83.478
bonds (distance) P-C4' energy: -125.847
flat angles C4'-P-C4' energy: -132.066
flat angles P-C4'-P energy: -67.583
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2854.986211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.986211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.986211 (E_RNA)
where:
Base-Base interactions energy: -1987.834
where: short stacking energy: -786.228
Base-Backbone interact. energy: -3.159
local terms energy: -863.992929
where:
bonds (distance) C4'-P energy: -161.386
bonds (distance) P-C4' energy: -164.961
flat angles C4'-P-C4' energy: -180.382
flat angles P-C4'-P energy: -124.175
tors. eta vs tors. theta energy: -233.088
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: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2617.458402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.458402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.458402 (E_RNA)
where:
Base-Base interactions energy: -1757.271
where: short stacking energy: -746.195
Base-Backbone interact. energy: -2.168
local terms energy: -858.019666
where:
bonds (distance) C4'-P energy: -163.452
bonds (distance) P-C4' energy: -163.743
flat angles C4'-P-C4' energy: -182.465
flat angles P-C4'-P energy: -123.474
tors. eta vs tors. theta energy: -224.885
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2501.944677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.944677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.944677 (E_RNA)
where:
Base-Base interactions energy: -1707.385
where: short stacking energy: -716.337
Base-Backbone interact. energy: -2.250
local terms energy: -792.309916
where:
bonds (distance) C4'-P energy: -137.076
bonds (distance) P-C4' energy: -155.101
flat angles C4'-P-C4' energy: -183.761
flat angles P-C4'-P energy: -104.920
tors. eta vs tors. theta energy: -211.452
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2446.061088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.061088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.061088 (E_RNA)
where:
Base-Base interactions energy: -1639.779
where: short stacking energy: -711.949
Base-Backbone interact. energy: -1.273
local terms energy: -805.009139
where:
bonds (distance) C4'-P energy: -144.843
bonds (distance) P-C4' energy: -162.851
flat angles C4'-P-C4' energy: -176.741
flat angles P-C4'-P energy: -118.433
tors. eta vs tors. theta energy: -202.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2219.412392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.412392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.412392 (E_RNA)
where:
Base-Base interactions energy: -1461.235
where: short stacking energy: -641.733
Base-Backbone interact. energy: -0.275
local terms energy: -757.903031
where:
bonds (distance) C4'-P energy: -149.959
bonds (distance) P-C4' energy: -147.744
flat angles C4'-P-C4' energy: -160.306
flat angles P-C4'-P energy: -98.313
tors. eta vs tors. theta energy: -201.581
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: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2010.424501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.424501 (E_RNA)
where:
Base-Base interactions energy: -1348.462
where: short stacking energy: -573.889
Base-Backbone interact. energy: 1.266
local terms energy: -663.229207
where:
bonds (distance) C4'-P energy: -142.181
bonds (distance) P-C4' energy: -142.050
flat angles C4'-P-C4' energy: -151.537
flat angles P-C4'-P energy: -81.310
tors. eta vs tors. theta energy: -146.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1636.729080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.729080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.729080 (E_RNA)
where:
Base-Base interactions energy: -1059.350
where: short stacking energy: -490.876
Base-Backbone interact. energy: 5.452
local terms energy: -582.831687
where:
bonds (distance) C4'-P energy: -132.642
bonds (distance) P-C4' energy: -142.563
flat angles C4'-P-C4' energy: -134.839
flat angles P-C4'-P energy: -75.604
tors. eta vs tors. theta energy: -97.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1338.115044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.115044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.115044 (E_RNA)
where:
Base-Base interactions energy: -818.902
where: short stacking energy: -370.628
Base-Backbone interact. energy: -2.300
local terms energy: -516.913753
where:
bonds (distance) C4'-P energy: -119.259
bonds (distance) P-C4' energy: -146.422
flat angles C4'-P-C4' energy: -128.921
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: -55.192
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: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -963.918369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.918369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.918369 (E_RNA)
where:
Base-Base interactions energy: -489.529
where: short stacking energy: -281.036
Base-Backbone interact. energy: 6.049
local terms energy: -480.438156
where:
bonds (distance) C4'-P energy: -124.112
bonds (distance) P-C4' energy: -141.286
flat angles C4'-P-C4' energy: -120.263
flat angles P-C4'-P energy: -72.367
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: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -927.114515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.114515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.114515 (E_RNA)
where:
Base-Base interactions energy: -504.292
where: short stacking energy: -252.186
Base-Backbone interact. energy: 6.043
local terms energy: -428.865055
where:
bonds (distance) C4'-P energy: -139.060
bonds (distance) P-C4' energy: -145.708
flat angles C4'-P-C4' energy: -89.576
flat angles P-C4'-P energy: -59.787
tors. eta vs tors. theta energy: 5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2833.408805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.408805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.408805 (E_RNA)
where:
Base-Base interactions energy: -1937.074
where: short stacking energy: -793.146
Base-Backbone interact. energy: -5.714
local terms energy: -890.620712
where:
bonds (distance) C4'-P energy: -178.431
bonds (distance) P-C4' energy: -152.392
flat angles C4'-P-C4' energy: -191.285
flat angles P-C4'-P energy: -129.244
tors. eta vs tors. theta energy: -239.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2525.087990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.087990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.087990 (E_RNA)
where:
Base-Base interactions energy: -1698.170
where: short stacking energy: -739.643
Base-Backbone interact. energy: 3.245
local terms energy: -830.162524
where:
bonds (distance) C4'-P energy: -153.943
bonds (distance) P-C4' energy: -175.165
flat angles C4'-P-C4' energy: -180.516
flat angles P-C4'-P energy: -115.131
tors. eta vs tors. theta energy: -205.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2511.182978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.182978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.182978 (E_RNA)
where:
Base-Base interactions energy: -1702.935
where: short stacking energy: -738.035
Base-Backbone interact. energy: 1.201
local terms energy: -809.448774
where:
bonds (distance) C4'-P energy: -156.631
bonds (distance) P-C4' energy: -155.036
flat angles C4'-P-C4' energy: -175.561
flat angles P-C4'-P energy: -118.106
tors. eta vs tors. theta energy: -204.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2400.019375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.019375 (E_RNA)
where:
Base-Base interactions energy: -1616.380
where: short stacking energy: -674.350
Base-Backbone interact. energy: -3.099
local terms energy: -780.539672
where:
bonds (distance) C4'-P energy: -149.563
bonds (distance) P-C4' energy: -162.101
flat angles C4'-P-C4' energy: -161.935
flat angles P-C4'-P energy: -119.782
tors. eta vs tors. theta energy: -187.159
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2229.840104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.840104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.840104 (E_RNA)
where:
Base-Base interactions energy: -1489.563
where: short stacking energy: -651.627
Base-Backbone interact. energy: 2.507
local terms energy: -742.784006
where:
bonds (distance) C4'-P energy: -136.652
bonds (distance) P-C4' energy: -138.369
flat angles C4'-P-C4' energy: -167.810
flat angles P-C4'-P energy: -107.897
tors. eta vs tors. theta energy: -192.056
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2041.559539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.559539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.559539 (E_RNA)
where:
Base-Base interactions energy: -1325.302
where: short stacking energy: -576.340
Base-Backbone interact. energy: 1.050
local terms energy: -717.306904
where:
bonds (distance) C4'-P energy: -166.408
bonds (distance) P-C4' energy: -150.097
flat angles C4'-P-C4' energy: -159.913
flat angles P-C4'-P energy: -97.717
tors. eta vs tors. theta energy: -143.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1537.344384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.344384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.344384 (E_RNA)
where:
Base-Base interactions energy: -970.256
where: short stacking energy: -423.058
Base-Backbone interact. energy: -0.330
local terms energy: -566.758591
where:
bonds (distance) C4'-P energy: -126.720
bonds (distance) P-C4' energy: -151.040
flat angles C4'-P-C4' energy: -125.940
flat angles P-C4'-P energy: -75.060
tors. eta vs tors. theta energy: -87.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1396.353422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.353422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.353422 (E_RNA)
where:
Base-Base interactions energy: -836.979
where: short stacking energy: -393.770
Base-Backbone interact. energy: -0.036
local terms energy: -559.338258
where:
bonds (distance) C4'-P energy: -153.830
bonds (distance) P-C4' energy: -127.374
flat angles C4'-P-C4' energy: -145.964
flat angles P-C4'-P energy: -69.807
tors. eta vs tors. theta energy: -62.364
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: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -956.535028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.535028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.535028 (E_RNA)
where:
Base-Base interactions energy: -516.011
where: short stacking energy: -282.718
Base-Backbone interact. energy: -1.661
local terms energy: -438.862799
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -136.229
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -70.383
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -962.489066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.489066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.489066 (E_RNA)
where:
Base-Base interactions energy: -501.643
where: short stacking energy: -259.613
Base-Backbone interact. energy: -3.891
local terms energy: -456.955291
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -135.590
flat angles C4'-P-C4' energy: -130.618
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: 2.370
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2820.151383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.151383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.151383 (E_RNA)
where:
Base-Base interactions energy: -1943.493
where: short stacking energy: -789.860
Base-Backbone interact. energy: -0.696
local terms energy: -875.962389
where:
bonds (distance) C4'-P energy: -166.517
bonds (distance) P-C4' energy: -174.868
flat angles C4'-P-C4' energy: -176.124
flat angles P-C4'-P energy: -134.303
tors. eta vs tors. theta energy: -224.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2526.349430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.349430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.349430 (E_RNA)
where:
Base-Base interactions energy: -1728.196
where: short stacking energy: -749.062
Base-Backbone interact. energy: -3.330
local terms energy: -794.822863
where:
bonds (distance) C4'-P energy: -156.495
bonds (distance) P-C4' energy: -145.720
flat angles C4'-P-C4' energy: -169.350
flat angles P-C4'-P energy: -120.478
tors. eta vs tors. theta energy: -202.780
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: 308
Temperature: 1.000000
Total energy: -2473.329003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.329003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.329003 (E_RNA)
where:
Base-Base interactions energy: -1678.142
where: short stacking energy: -722.717
Base-Backbone interact. energy: 1.964
local terms energy: -797.150636
where:
bonds (distance) C4'-P energy: -146.794
bonds (distance) P-C4' energy: -152.925
flat angles C4'-P-C4' energy: -170.083
flat angles P-C4'-P energy: -118.376
tors. eta vs tors. theta energy: -208.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2386.290218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.290218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.290218 (E_RNA)
where:
Base-Base interactions energy: -1628.258
where: short stacking energy: -703.650
Base-Backbone interact. energy: -3.486
local terms energy: -754.546275
where:
bonds (distance) C4'-P energy: -132.521
bonds (distance) P-C4' energy: -146.218
flat angles C4'-P-C4' energy: -171.379
flat angles P-C4'-P energy: -101.617
tors. eta vs tors. theta energy: -202.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2246.536677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.536677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.536677 (E_RNA)
where:
Base-Base interactions energy: -1488.107
where: short stacking energy: -661.032
Base-Backbone interact. energy: -1.381
local terms energy: -757.048966
where:
bonds (distance) C4'-P energy: -120.117
bonds (distance) P-C4' energy: -154.382
flat angles C4'-P-C4' energy: -170.766
flat angles P-C4'-P energy: -114.890
tors. eta vs tors. theta energy: -196.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2043.423586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.423586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.423586 (E_RNA)
where:
Base-Base interactions energy: -1379.423
where: short stacking energy: -610.049
Base-Backbone interact. energy: -3.363
local terms energy: -660.637695
where:
bonds (distance) C4'-P energy: -140.965
bonds (distance) P-C4' energy: -129.507
flat angles C4'-P-C4' energy: -157.689
flat angles P-C4'-P energy: -79.439
tors. eta vs tors. theta energy: -153.039
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: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1596.310880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.310880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.310880 (E_RNA)
where:
Base-Base interactions energy: -995.591
where: short stacking energy: -440.488
Base-Backbone interact. energy: 0.076
local terms energy: -600.795842
where:
bonds (distance) C4'-P energy: -138.408
bonds (distance) P-C4' energy: -130.473
flat angles C4'-P-C4' energy: -151.327
flat angles P-C4'-P energy: -91.893
tors. eta vs tors. theta energy: -88.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1391.926077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.926077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.926077 (E_RNA)
where:
Base-Base interactions energy: -828.114
where: short stacking energy: -374.505
Base-Backbone interact. energy: -4.616
local terms energy: -559.195642
where:
bonds (distance) C4'-P energy: -136.141
bonds (distance) P-C4' energy: -136.858
flat angles C4'-P-C4' energy: -139.050
flat angles P-C4'-P energy: -79.477
tors. eta vs tors. theta energy: -67.669
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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -987.286451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.286451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.286451 (E_RNA)
where:
Base-Base interactions energy: -557.803
where: short stacking energy: -288.004
Base-Backbone interact. energy: 0.973
local terms energy: -430.457386
where:
bonds (distance) C4'-P energy: -126.489
bonds (distance) P-C4' energy: -132.109
flat angles C4'-P-C4' energy: -114.784
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -930.870693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.870693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.870693 (E_RNA)
where:
Base-Base interactions energy: -479.292
where: short stacking energy: -254.440
Base-Backbone interact. energy: 3.743
local terms energy: -455.321630
where:
bonds (distance) C4'-P energy: -128.463
bonds (distance) P-C4' energy: -137.325
flat angles C4'-P-C4' energy: -129.170
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: 6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2832.337696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.337696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.337696 (E_RNA)
where:
Base-Base interactions energy: -1975.663
where: short stacking energy: -811.532
Base-Backbone interact. energy: -0.815
local terms energy: -855.860322
where:
bonds (distance) C4'-P energy: -165.436
bonds (distance) P-C4' energy: -162.477
flat angles C4'-P-C4' energy: -181.217
flat angles P-C4'-P energy: -113.074
tors. eta vs tors. theta energy: -233.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2564.752601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.752601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.752601 (E_RNA)
where:
Base-Base interactions energy: -1740.403
where: short stacking energy: -758.544
Base-Backbone interact. energy: -3.346
local terms energy: -821.002635
where:
bonds (distance) C4'-P energy: -162.659
bonds (distance) P-C4' energy: -153.327
flat angles C4'-P-C4' energy: -180.670
flat angles P-C4'-P energy: -111.335
tors. eta vs tors. theta energy: -213.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2500.416127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.416127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.416127 (E_RNA)
where:
Base-Base interactions energy: -1704.308
where: short stacking energy: -703.206
Base-Backbone interact. energy: -0.457
local terms energy: -795.651011
where:
bonds (distance) C4'-P energy: -142.321
bonds (distance) P-C4' energy: -152.476
flat angles C4'-P-C4' energy: -173.981
flat angles P-C4'-P energy: -122.526
tors. eta vs tors. theta energy: -204.347
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2439.098215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.098215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.098215 (E_RNA)
where:
Base-Base interactions energy: -1688.418
where: short stacking energy: -706.873
Base-Backbone interact. energy: 1.494
local terms energy: -752.174680
where:
bonds (distance) C4'-P energy: -136.519
bonds (distance) P-C4' energy: -155.947
flat angles C4'-P-C4' energy: -160.880
flat angles P-C4'-P energy: -100.407
tors. eta vs tors. theta energy: -198.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2284.562593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.562593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.562593 (E_RNA)
where:
Base-Base interactions energy: -1527.413
where: short stacking energy: -664.900
Base-Backbone interact. energy: 3.080
local terms energy: -760.229889
where:
bonds (distance) C4'-P energy: -146.716
bonds (distance) P-C4' energy: -142.103
flat angles C4'-P-C4' energy: -155.517
flat angles P-C4'-P energy: -111.972
tors. eta vs tors. theta energy: -203.922
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: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2035.156636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.156636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.156636 (E_RNA)
where:
Base-Base interactions energy: -1347.391
where: short stacking energy: -589.899
Base-Backbone interact. energy: -3.988
local terms energy: -683.777786
where:
bonds (distance) C4'-P energy: -109.740
bonds (distance) P-C4' energy: -141.740
flat angles C4'-P-C4' energy: -159.742
flat angles P-C4'-P energy: -105.522
tors. eta vs tors. theta energy: -167.033
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: 309
Temperature: 1.200000
Total energy: -1669.056928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.056928 (E_RNA)
where:
Base-Base interactions energy: -1060.402
where: short stacking energy: -470.593
Base-Backbone interact. energy: -1.647
local terms energy: -607.007350
where:
bonds (distance) C4'-P energy: -129.570
bonds (distance) P-C4' energy: -131.471
flat angles C4'-P-C4' energy: -145.784
flat angles P-C4'-P energy: -110.424
tors. eta vs tors. theta energy: -89.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1464.873324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.873324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.873324 (E_RNA)
where:
Base-Base interactions energy: -889.688
where: short stacking energy: -399.134
Base-Backbone interact. energy: -3.418
local terms energy: -571.767219
where:
bonds (distance) C4'-P energy: -128.299
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -144.766
flat angles P-C4'-P energy: -78.287
tors. eta vs tors. theta energy: -84.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1015.646236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.646236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.646236 (E_RNA)
where:
Base-Base interactions energy: -538.253
where: short stacking energy: -291.675
Base-Backbone interact. energy: -1.379
local terms energy: -476.013575
where:
bonds (distance) C4'-P energy: -109.601
bonds (distance) P-C4' energy: -147.706
flat angles C4'-P-C4' energy: -113.666
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: -41.594
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: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -913.640778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.640778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.640778 (E_RNA)
where:
Base-Base interactions energy: -498.438
where: short stacking energy: -241.414
Base-Backbone interact. energy: 3.916
local terms energy: -419.118614
where:
bonds (distance) C4'-P energy: -124.464
bonds (distance) P-C4' energy: -126.331
flat angles C4'-P-C4' energy: -111.225
flat angles P-C4'-P energy: -63.034
tors. eta vs tors. theta energy: 5.935
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: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2813.601686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.601686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.601686 (E_RNA)
where:
Base-Base interactions energy: -1956.518
where: short stacking energy: -795.602
Base-Backbone interact. energy: -0.276
local terms energy: -856.808105
where:
bonds (distance) C4'-P energy: -155.369
bonds (distance) P-C4' energy: -153.571
flat angles C4'-P-C4' energy: -186.928
flat angles P-C4'-P energy: -125.380
tors. eta vs tors. theta energy: -235.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2535.597868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.597868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.597868 (E_RNA)
where:
Base-Base interactions energy: -1719.129
where: short stacking energy: -733.577
Base-Backbone interact. energy: -2.847
local terms energy: -813.622004
where:
bonds (distance) C4'-P energy: -163.596
bonds (distance) P-C4' energy: -153.499
flat angles C4'-P-C4' energy: -174.102
flat angles P-C4'-P energy: -115.955
tors. eta vs tors. theta energy: -206.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2526.641121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.641121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.641121 (E_RNA)
where:
Base-Base interactions energy: -1712.932
where: short stacking energy: -748.778
Base-Backbone interact. energy: -2.070
local terms energy: -811.638843
where:
bonds (distance) C4'-P energy: -158.745
bonds (distance) P-C4' energy: -157.844
flat angles C4'-P-C4' energy: -177.704
flat angles P-C4'-P energy: -113.909
tors. eta vs tors. theta energy: -203.437
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2425.938666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.938666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.938666 (E_RNA)
where:
Base-Base interactions energy: -1666.069
where: short stacking energy: -712.980
Base-Backbone interact. energy: -2.508
local terms energy: -757.361205
where:
bonds (distance) C4'-P energy: -147.438
bonds (distance) P-C4' energy: -148.167
flat angles C4'-P-C4' energy: -160.331
flat angles P-C4'-P energy: -105.823
tors. eta vs tors. theta energy: -195.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2272.483901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.483901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.483901 (E_RNA)
where:
Base-Base interactions energy: -1508.146
where: short stacking energy: -690.547
Base-Backbone interact. energy: 2.809
local terms energy: -767.146810
where:
bonds (distance) C4'-P energy: -146.373
bonds (distance) P-C4' energy: -154.332
flat angles C4'-P-C4' energy: -169.928
flat angles P-C4'-P energy: -106.113
tors. eta vs tors. theta energy: -190.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2073.238458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.238458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.238458 (E_RNA)
where:
Base-Base interactions energy: -1371.193
where: short stacking energy: -611.165
Base-Backbone interact. energy: -1.167
local terms energy: -700.878377
where:
bonds (distance) C4'-P energy: -123.582
bonds (distance) P-C4' energy: -153.370
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -92.947
tors. eta vs tors. theta energy: -174.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1691.604738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.604738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.604738 (E_RNA)
where:
Base-Base interactions energy: -1091.073
where: short stacking energy: -479.312
Base-Backbone interact. energy: -0.491
local terms energy: -600.041429
where:
bonds (distance) C4'-P energy: -151.216
bonds (distance) P-C4' energy: -154.331
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -97.168
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1549.472191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.472191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.472191 (E_RNA)
where:
Base-Base interactions energy: -1016.902
where: short stacking energy: -472.358
Base-Backbone interact. energy: -0.456
local terms energy: -532.114988
where:
bonds (distance) C4'-P energy: -133.566
bonds (distance) P-C4' energy: -113.335
flat angles C4'-P-C4' energy: -128.235
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -91.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1051.792986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.792986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.792986 (E_RNA)
where:
Base-Base interactions energy: -572.300
where: short stacking energy: -306.126
Base-Backbone interact. energy: -3.046
local terms energy: -476.446788
where:
bonds (distance) C4'-P energy: -129.768
bonds (distance) P-C4' energy: -130.385
flat angles C4'-P-C4' energy: -116.648
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -924.190107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.190107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.190107 (E_RNA)
where:
Base-Base interactions energy: -475.057
where: short stacking energy: -263.113
Base-Backbone interact. energy: 2.584
local terms energy: -451.717108
where:
bonds (distance) C4'-P energy: -110.667
bonds (distance) P-C4' energy: -146.341
flat angles C4'-P-C4' energy: -105.783
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2834.888148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.888148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.888148 (E_RNA)
where:
Base-Base interactions energy: -1952.352
where: short stacking energy: -793.995
Base-Backbone interact. energy: 0.690
local terms energy: -883.225544
where:
bonds (distance) C4'-P energy: -161.242
bonds (distance) P-C4' energy: -168.292
flat angles C4'-P-C4' energy: -184.517
flat angles P-C4'-P energy: -130.920
tors. eta vs tors. theta energy: -238.254
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2587.404198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.404198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.404198 (E_RNA)
where:
Base-Base interactions energy: -1768.991
where: short stacking energy: -771.353
Base-Backbone interact. energy: -4.691
local terms energy: -813.721569
where:
bonds (distance) C4'-P energy: -149.051
bonds (distance) P-C4' energy: -163.168
flat angles C4'-P-C4' energy: -175.447
flat angles P-C4'-P energy: -110.956
tors. eta vs tors. theta energy: -215.100
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: 311
Temperature: 1.000000
Total energy: -2465.516136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.516136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.516136 (E_RNA)
where:
Base-Base interactions energy: -1693.674
where: short stacking energy: -743.132
Base-Backbone interact. energy: -0.636
local terms energy: -771.205898
where:
bonds (distance) C4'-P energy: -152.108
bonds (distance) P-C4' energy: -132.418
flat angles C4'-P-C4' energy: -169.649
flat angles P-C4'-P energy: -105.938
tors. eta vs tors. theta energy: -211.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2384.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.898688 (E_RNA)
where:
Base-Base interactions energy: -1620.684
where: short stacking energy: -704.641
Base-Backbone interact. energy: -0.169
local terms energy: -764.045748
where:
bonds (distance) C4'-P energy: -131.339
bonds (distance) P-C4' energy: -159.900
flat angles C4'-P-C4' energy: -162.944
flat angles P-C4'-P energy: -113.887
tors. eta vs tors. theta energy: -195.976
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: 311
Temperature: 1.100000
Total energy: -2303.554104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.554104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.554104 (E_RNA)
where:
Base-Base interactions energy: -1527.207
where: short stacking energy: -673.933
Base-Backbone interact. energy: -2.345
local terms energy: -774.001729
where:
bonds (distance) C4'-P energy: -143.313
bonds (distance) P-C4' energy: -132.314
flat angles C4'-P-C4' energy: -178.507
flat angles P-C4'-P energy: -109.206
tors. eta vs tors. theta energy: -210.662
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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2066.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.938099 (E_RNA)
where:
Base-Base interactions energy: -1388.844
where: short stacking energy: -601.293
Base-Backbone interact. energy: 0.821
local terms energy: -678.915566
where:
bonds (distance) C4'-P energy: -134.009
bonds (distance) P-C4' energy: -148.413
flat angles C4'-P-C4' energy: -140.035
flat angles P-C4'-P energy: -90.563
tors. eta vs tors. theta energy: -165.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1644.684073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.684073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.684073 (E_RNA)
where:
Base-Base interactions energy: -1055.947
where: short stacking energy: -456.203
Base-Backbone interact. energy: -6.356
local terms energy: -582.380616
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -114.898
flat angles C4'-P-C4' energy: -148.819
flat angles P-C4'-P energy: -96.636
tors. eta vs tors. theta energy: -94.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1596.577436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.577436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.577436 (E_RNA)
where:
Base-Base interactions energy: -1046.117
where: short stacking energy: -470.892
Base-Backbone interact. energy: 1.994
local terms energy: -552.454841
where:
bonds (distance) C4'-P energy: -136.950
bonds (distance) P-C4' energy: -129.463
flat angles C4'-P-C4' energy: -122.087
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: -89.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1066.542794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.542794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.542794 (E_RNA)
where:
Base-Base interactions energy: -606.889
where: short stacking energy: -312.229
Base-Backbone interact. energy: 12.678
local terms energy: -472.332206
where:
bonds (distance) C4'-P energy: -128.850
bonds (distance) P-C4' energy: -131.283
flat angles C4'-P-C4' energy: -116.103
flat angles P-C4'-P energy: -79.534
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -978.234704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.234704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.234704 (E_RNA)
where:
Base-Base interactions energy: -521.547
where: short stacking energy: -283.885
Base-Backbone interact. energy: 2.013
local terms energy: -458.700814
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -135.918
flat angles C4'-P-C4' energy: -128.159
flat angles P-C4'-P energy: -81.639
tors. eta vs tors. theta energy: -3.777
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: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2822.610813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.610813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.610813 (E_RNA)
where:
Base-Base interactions energy: -1961.431
where: short stacking energy: -783.971
Base-Backbone interact. energy: -3.405
local terms energy: -857.774908
where:
bonds (distance) C4'-P energy: -156.678
bonds (distance) P-C4' energy: -171.066
flat angles C4'-P-C4' energy: -183.195
flat angles P-C4'-P energy: -131.300
tors. eta vs tors. theta energy: -215.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2579.684866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.684866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.684866 (E_RNA)
where:
Base-Base interactions energy: -1764.796
where: short stacking energy: -745.394
Base-Backbone interact. energy: -3.013
local terms energy: -811.875887
where:
bonds (distance) C4'-P energy: -167.841
bonds (distance) P-C4' energy: -141.364
flat angles C4'-P-C4' energy: -176.517
flat angles P-C4'-P energy: -124.735
tors. eta vs tors. theta energy: -201.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2483.705865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.705865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.705865 (E_RNA)
where:
Base-Base interactions energy: -1655.795
where: short stacking energy: -714.947
Base-Backbone interact. energy: -0.667
local terms energy: -827.243823
where:
bonds (distance) C4'-P energy: -147.830
bonds (distance) P-C4' energy: -166.711
flat angles C4'-P-C4' energy: -183.973
flat angles P-C4'-P energy: -115.825
tors. eta vs tors. theta energy: -212.905
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: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2396.173859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.173859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.173859 (E_RNA)
where:
Base-Base interactions energy: -1663.681
where: short stacking energy: -717.457
Base-Backbone interact. energy: -3.672
local terms energy: -728.820036
where:
bonds (distance) C4'-P energy: -145.351
bonds (distance) P-C4' energy: -131.120
flat angles C4'-P-C4' energy: -154.391
flat angles P-C4'-P energy: -96.780
tors. eta vs tors. theta energy: -201.178
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: 312
Temperature: 1.100000
Total energy: -2247.214090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.214090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.214090 (E_RNA)
where:
Base-Base interactions energy: -1493.832
where: short stacking energy: -669.839
Base-Backbone interact. energy: -0.763
local terms energy: -752.618847
where:
bonds (distance) C4'-P energy: -144.470
bonds (distance) P-C4' energy: -129.212
flat angles C4'-P-C4' energy: -174.323
flat angles P-C4'-P energy: -111.863
tors. eta vs tors. theta energy: -192.751
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: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2085.453599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.453599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.453599 (E_RNA)
where:
Base-Base interactions energy: -1407.237
where: short stacking energy: -586.853
Base-Backbone interact. energy: -1.342
local terms energy: -676.874872
where:
bonds (distance) C4'-P energy: -111.213
bonds (distance) P-C4' energy: -133.255
flat angles C4'-P-C4' energy: -159.102
flat angles P-C4'-P energy: -112.735
tors. eta vs tors. theta energy: -160.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1671.157945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.157945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.157945 (E_RNA)
where:
Base-Base interactions energy: -1064.496
where: short stacking energy: -472.401
Base-Backbone interact. energy: 1.879
local terms energy: -608.540689
where:
bonds (distance) C4'-P energy: -136.675
bonds (distance) P-C4' energy: -138.245
flat angles C4'-P-C4' energy: -155.704
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -93.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1574.170809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.170809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.170809 (E_RNA)
where:
Base-Base interactions energy: -1007.071
where: short stacking energy: -459.711
Base-Backbone interact. energy: -2.288
local terms energy: -564.812500
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -136.231
flat angles C4'-P-C4' energy: -136.683
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -96.780
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1000.857738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.857738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.857738 (E_RNA)
where:
Base-Base interactions energy: -525.746
where: short stacking energy: -285.926
Base-Backbone interact. energy: 0.482
local terms energy: -475.593604
where:
bonds (distance) C4'-P energy: -137.724
bonds (distance) P-C4' energy: -133.087
flat angles C4'-P-C4' energy: -113.200
flat angles P-C4'-P energy: -74.427
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: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -948.052272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.052272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.052272 (E_RNA)
where:
Base-Base interactions energy: -510.535
where: short stacking energy: -248.188
Base-Backbone interact. energy: 0.185
local terms energy: -437.702222
where:
bonds (distance) C4'-P energy: -135.050
bonds (distance) P-C4' energy: -113.418
flat angles C4'-P-C4' energy: -119.411
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -7.582
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: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2841.981003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.981003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.981003 (E_RNA)
where:
Base-Base interactions energy: -1980.339
where: short stacking energy: -811.639
Base-Backbone interact. energy: -0.955
local terms energy: -860.686957
where:
bonds (distance) C4'-P energy: -159.192
bonds (distance) P-C4' energy: -166.066
flat angles C4'-P-C4' energy: -181.207
flat angles P-C4'-P energy: -117.415
tors. eta vs tors. theta energy: -236.807
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: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2581.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.663549 (E_RNA)
where:
Base-Base interactions energy: -1779.198
where: short stacking energy: -773.728
Base-Backbone interact. energy: 0.635
local terms energy: -803.100395
where:
bonds (distance) C4'-P energy: -145.418
bonds (distance) P-C4' energy: -156.567
flat angles C4'-P-C4' energy: -173.086
flat angles P-C4'-P energy: -112.177
tors. eta vs tors. theta energy: -215.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2503.530607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.530607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.530607 (E_RNA)
where:
Base-Base interactions energy: -1685.439
where: short stacking energy: -740.541
Base-Backbone interact. energy: -2.285
local terms energy: -815.806395
where:
bonds (distance) C4'-P energy: -154.144
bonds (distance) P-C4' energy: -153.001
flat angles C4'-P-C4' energy: -177.384
flat angles P-C4'-P energy: -113.101
tors. eta vs tors. theta energy: -218.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2374.881819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.881819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.881819 (E_RNA)
where:
Base-Base interactions energy: -1610.053
where: short stacking energy: -672.603
Base-Backbone interact. energy: -2.720
local terms energy: -762.108819
where:
bonds (distance) C4'-P energy: -147.075
bonds (distance) P-C4' energy: -152.442
flat angles C4'-P-C4' energy: -154.561
flat angles P-C4'-P energy: -117.922
tors. eta vs tors. theta energy: -190.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2247.833644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.833644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.833644 (E_RNA)
where:
Base-Base interactions energy: -1503.210
where: short stacking energy: -677.234
Base-Backbone interact. energy: -2.112
local terms energy: -742.511703
where:
bonds (distance) C4'-P energy: -134.168
bonds (distance) P-C4' energy: -134.320
flat angles C4'-P-C4' energy: -168.757
flat angles P-C4'-P energy: -105.508
tors. eta vs tors. theta energy: -199.758
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: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2052.579584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.579584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.579584 (E_RNA)
where:
Base-Base interactions energy: -1338.007
where: short stacking energy: -596.031
Base-Backbone interact. energy: -4.726
local terms energy: -709.846663
where:
bonds (distance) C4'-P energy: -145.630
bonds (distance) P-C4' energy: -144.836
flat angles C4'-P-C4' energy: -137.819
flat angles P-C4'-P energy: -105.844
tors. eta vs tors. theta energy: -175.717
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: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1713.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.620655 (E_RNA)
where:
Base-Base interactions energy: -1088.052
where: short stacking energy: -503.919
Base-Backbone interact. energy: 2.690
local terms energy: -628.259120
where:
bonds (distance) C4'-P energy: -121.084
bonds (distance) P-C4' energy: -137.352
flat angles C4'-P-C4' energy: -140.431
flat angles P-C4'-P energy: -98.458
tors. eta vs tors. theta energy: -130.935
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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1463.966381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.966381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.966381 (E_RNA)
where:
Base-Base interactions energy: -922.724
where: short stacking energy: -404.768
Base-Backbone interact. energy: -4.577
local terms energy: -536.665305
where:
bonds (distance) C4'-P energy: -117.515
bonds (distance) P-C4' energy: -117.167
flat angles C4'-P-C4' energy: -136.769
flat angles P-C4'-P energy: -85.298
tors. eta vs tors. theta energy: -79.916
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: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1029.149725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.149725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.149725 (E_RNA)
where:
Base-Base interactions energy: -513.859
where: short stacking energy: -255.702
Base-Backbone interact. energy: 1.518
local terms energy: -516.808655
where:
bonds (distance) C4'-P energy: -138.270
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -125.451
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1029.261034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.261034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.261034 (E_RNA)
where:
Base-Base interactions energy: -544.014
where: short stacking energy: -251.163
Base-Backbone interact. energy: -1.300
local terms energy: -483.946347
where:
bonds (distance) C4'-P energy: -131.533
bonds (distance) P-C4' energy: -138.146
flat angles C4'-P-C4' energy: -124.505
flat angles P-C4'-P energy: -64.219
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2849.476195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.476195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.476195 (E_RNA)
where:
Base-Base interactions energy: -1999.004
where: short stacking energy: -793.843
Base-Backbone interact. energy: -2.073
local terms energy: -848.399793
where:
bonds (distance) C4'-P energy: -162.549
bonds (distance) P-C4' energy: -147.905
flat angles C4'-P-C4' energy: -195.591
flat angles P-C4'-P energy: -131.202
tors. eta vs tors. theta energy: -211.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2590.523781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.523781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.523781 (E_RNA)
where:
Base-Base interactions energy: -1782.949
where: short stacking energy: -760.280
Base-Backbone interact. energy: -4.475
local terms energy: -803.099487
where:
bonds (distance) C4'-P energy: -155.930
bonds (distance) P-C4' energy: -145.417
flat angles C4'-P-C4' energy: -170.897
flat angles P-C4'-P energy: -117.054
tors. eta vs tors. theta energy: -213.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2487.501987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.501987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.501987 (E_RNA)
where:
Base-Base interactions energy: -1643.907
where: short stacking energy: -727.679
Base-Backbone interact. energy: -1.547
local terms energy: -842.047164
where:
bonds (distance) C4'-P energy: -168.043
bonds (distance) P-C4' energy: -165.948
flat angles C4'-P-C4' energy: -176.154
flat angles P-C4'-P energy: -117.237
tors. eta vs tors. theta energy: -214.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2397.586754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.586754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.586754 (E_RNA)
where:
Base-Base interactions energy: -1634.801
where: short stacking energy: -678.867
Base-Backbone interact. energy: 1.227
local terms energy: -764.013172
where:
bonds (distance) C4'-P energy: -142.910
bonds (distance) P-C4' energy: -162.317
flat angles C4'-P-C4' energy: -160.067
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -194.135
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: 314
Temperature: 1.100000
Total energy: -2229.160018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.160018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.160018 (E_RNA)
where:
Base-Base interactions energy: -1509.725
where: short stacking energy: -667.705
Base-Backbone interact. energy: -2.789
local terms energy: -716.646009
where:
bonds (distance) C4'-P energy: -144.939
bonds (distance) P-C4' energy: -143.107
flat angles C4'-P-C4' energy: -140.948
flat angles P-C4'-P energy: -97.902
tors. eta vs tors. theta energy: -189.750
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: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2096.499371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.499371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.499371 (E_RNA)
where:
Base-Base interactions energy: -1371.180
where: short stacking energy: -605.194
Base-Backbone interact. energy: -3.778
local terms energy: -721.922680
where:
bonds (distance) C4'-P energy: -145.437
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -155.097
flat angles P-C4'-P energy: -100.841
tors. eta vs tors. theta energy: -172.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.382 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1692.875600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.875600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.875600 (E_RNA)
where:
Base-Base interactions energy: -1107.538
where: short stacking energy: -509.797
Base-Backbone interact. energy: -2.713
local terms energy: -582.624569
where:
bonds (distance) C4'-P energy: -123.980
bonds (distance) P-C4' energy: -137.267
flat angles C4'-P-C4' energy: -133.348
flat angles P-C4'-P energy: -91.077
tors. eta vs tors. theta energy: -96.952
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: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1480.404207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.404207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.404207 (E_RNA)
where:
Base-Base interactions energy: -943.461
where: short stacking energy: -410.593
Base-Backbone interact. energy: 4.815
local terms energy: -541.758862
where:
bonds (distance) C4'-P energy: -137.336
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -121.459
flat angles P-C4'-P energy: -64.043
tors. eta vs tors. theta energy: -77.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1073.458500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.458500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.458500 (E_RNA)
where:
Base-Base interactions energy: -591.012
where: short stacking energy: -324.189
Base-Backbone interact. energy: 8.956
local terms energy: -491.401748
where:
bonds (distance) C4'-P energy: -129.263
bonds (distance) P-C4' energy: -136.567
flat angles C4'-P-C4' energy: -120.508
flat angles P-C4'-P energy: -69.387
tors. eta vs tors. theta energy: -35.677
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: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -966.529942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.529942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.529942 (E_RNA)
where:
Base-Base interactions energy: -499.747
where: short stacking energy: -271.596
Base-Backbone interact. energy: 0.527
local terms energy: -467.310623
where:
bonds (distance) C4'-P energy: -123.883
bonds (distance) P-C4' energy: -139.915
flat angles C4'-P-C4' energy: -114.854
flat angles P-C4'-P energy: -61.554
tors. eta vs tors. theta energy: -27.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2836.196699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.196699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.196699 (E_RNA)
where:
Base-Base interactions energy: -1998.627
where: short stacking energy: -799.517
Base-Backbone interact. energy: -3.264
local terms energy: -834.306094
where:
bonds (distance) C4'-P energy: -152.614
bonds (distance) P-C4' energy: -151.336
flat angles C4'-P-C4' energy: -181.892
flat angles P-C4'-P energy: -126.340
tors. eta vs tors. theta energy: -222.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2640.800823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.800823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.800823 (E_RNA)
where:
Base-Base interactions energy: -1821.473
where: short stacking energy: -762.660
Base-Backbone interact. energy: 0.881
local terms energy: -820.208654
where:
bonds (distance) C4'-P energy: -155.849
bonds (distance) P-C4' energy: -152.471
flat angles C4'-P-C4' energy: -172.148
flat angles P-C4'-P energy: -118.038
tors. eta vs tors. theta energy: -221.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2523.149396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.149396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.149396 (E_RNA)
where:
Base-Base interactions energy: -1711.797
where: short stacking energy: -727.106
Base-Backbone interact. energy: 2.855
local terms energy: -814.207459
where:
bonds (distance) C4'-P energy: -143.903
bonds (distance) P-C4' energy: -152.746
flat angles C4'-P-C4' energy: -191.921
flat angles P-C4'-P energy: -110.922
tors. eta vs tors. theta energy: -214.715
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: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2390.849330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.849330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.849330 (E_RNA)
where:
Base-Base interactions energy: -1591.965
where: short stacking energy: -686.879
Base-Backbone interact. energy: -4.737
local terms energy: -794.147235
where:
bonds (distance) C4'-P energy: -159.055
bonds (distance) P-C4' energy: -160.668
flat angles C4'-P-C4' energy: -166.585
flat angles P-C4'-P energy: -103.457
tors. eta vs tors. theta energy: -204.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2179.941710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.941710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.941710 (E_RNA)
where:
Base-Base interactions energy: -1421.792
where: short stacking energy: -634.512
Base-Backbone interact. energy: -3.304
local terms energy: -754.845673
where:
bonds (distance) C4'-P energy: -141.640
bonds (distance) P-C4' energy: -128.923
flat angles C4'-P-C4' energy: -159.152
flat angles P-C4'-P energy: -129.227
tors. eta vs tors. theta energy: -195.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2016.567935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.567935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.567935 (E_RNA)
where:
Base-Base interactions energy: -1320.884
where: short stacking energy: -583.449
Base-Backbone interact. energy: -4.013
local terms energy: -691.671681
where:
bonds (distance) C4'-P energy: -150.087
bonds (distance) P-C4' energy: -133.339
flat angles C4'-P-C4' energy: -152.952
flat angles P-C4'-P energy: -110.978
tors. eta vs tors. theta energy: -144.316
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: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1779.005072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.005072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.005072 (E_RNA)
where:
Base-Base interactions energy: -1141.412
where: short stacking energy: -507.656
Base-Backbone interact. energy: -1.934
local terms energy: -635.659282
where:
bonds (distance) C4'-P energy: -146.394
bonds (distance) P-C4' energy: -144.795
flat angles C4'-P-C4' energy: -143.588
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -114.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1506.979673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.979673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.979673 (E_RNA)
where:
Base-Base interactions energy: -915.440
where: short stacking energy: -410.951
Base-Backbone interact. energy: -0.577
local terms energy: -590.963084
where:
bonds (distance) C4'-P energy: -131.451
bonds (distance) P-C4' energy: -148.861
flat angles C4'-P-C4' energy: -153.655
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1120.132999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.132999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.132999 (E_RNA)
where:
Base-Base interactions energy: -640.707
where: short stacking energy: -320.732
Base-Backbone interact. energy: -5.764
local terms energy: -473.661808
where:
bonds (distance) C4'-P energy: -127.448
bonds (distance) P-C4' energy: -145.099
flat angles C4'-P-C4' energy: -114.859
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -30.438
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: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -947.963275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.963275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.963275 (E_RNA)
where:
Base-Base interactions energy: -524.958
where: short stacking energy: -274.004
Base-Backbone interact. energy: 1.243
local terms energy: -424.247503
where:
bonds (distance) C4'-P energy: -131.186
bonds (distance) P-C4' energy: -118.262
flat angles C4'-P-C4' energy: -112.549
flat angles P-C4'-P energy: -49.694
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2830.262581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.262581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.262581 (E_RNA)
where:
Base-Base interactions energy: -1965.760
where: short stacking energy: -804.978
Base-Backbone interact. energy: -2.723
local terms energy: -861.780220
where:
bonds (distance) C4'-P energy: -157.136
bonds (distance) P-C4' energy: -164.379
flat angles C4'-P-C4' energy: -190.574
flat angles P-C4'-P energy: -127.574
tors. eta vs tors. theta energy: -222.117
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2626.687604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.687604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.687604 (E_RNA)
where:
Base-Base interactions energy: -1806.470
where: short stacking energy: -787.359
Base-Backbone interact. energy: -1.653
local terms energy: -818.564569
where:
bonds (distance) C4'-P energy: -153.423
bonds (distance) P-C4' energy: -159.129
flat angles C4'-P-C4' energy: -163.599
flat angles P-C4'-P energy: -112.165
tors. eta vs tors. theta energy: -230.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2511.511947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.511947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.511947 (E_RNA)
where:
Base-Base interactions energy: -1706.492
where: short stacking energy: -722.620
Base-Backbone interact. energy: 0.168
local terms energy: -805.188353
where:
bonds (distance) C4'-P energy: -142.042
bonds (distance) P-C4' energy: -163.238
flat angles C4'-P-C4' energy: -174.830
flat angles P-C4'-P energy: -113.073
tors. eta vs tors. theta energy: -212.005
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: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2410.003927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.003927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.003927 (E_RNA)
where:
Base-Base interactions energy: -1645.513
where: short stacking energy: -693.775
Base-Backbone interact. energy: -0.047
local terms energy: -764.443637
where:
bonds (distance) C4'-P energy: -136.089
bonds (distance) P-C4' energy: -144.643
flat angles C4'-P-C4' energy: -178.631
flat angles P-C4'-P energy: -111.727
tors. eta vs tors. theta energy: -193.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2146.953162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.953162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.953162 (E_RNA)
where:
Base-Base interactions energy: -1435.718
where: short stacking energy: -628.263
Base-Backbone interact. energy: 1.852
local terms energy: -713.087381
where:
bonds (distance) C4'-P energy: -145.361
bonds (distance) P-C4' energy: -130.051
flat angles C4'-P-C4' energy: -155.931
flat angles P-C4'-P energy: -101.114
tors. eta vs tors. theta energy: -180.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2026.246151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.246151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.246151 (E_RNA)
where:
Base-Base interactions energy: -1351.698
where: short stacking energy: -598.271
Base-Backbone interact. energy: 2.403
local terms energy: -676.950858
where:
bonds (distance) C4'-P energy: -135.740
bonds (distance) P-C4' energy: -130.315
flat angles C4'-P-C4' energy: -154.602
flat angles P-C4'-P energy: -102.066
tors. eta vs tors. theta energy: -154.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1736.300041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.300041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.300041 (E_RNA)
where:
Base-Base interactions energy: -1104.322
where: short stacking energy: -482.325
Base-Backbone interact. energy: 0.431
local terms energy: -632.408834
where:
bonds (distance) C4'-P energy: -144.027
bonds (distance) P-C4' energy: -150.122
flat angles C4'-P-C4' energy: -134.814
flat angles P-C4'-P energy: -100.078
tors. eta vs tors. theta energy: -103.369
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1539.730269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.730269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.730269 (E_RNA)
where:
Base-Base interactions energy: -955.835
where: short stacking energy: -419.404
Base-Backbone interact. energy: -1.389
local terms energy: -582.507044
where:
bonds (distance) C4'-P energy: -148.046
bonds (distance) P-C4' energy: -132.939
flat angles C4'-P-C4' energy: -133.872
flat angles P-C4'-P energy: -83.541
tors. eta vs tors. theta energy: -84.108
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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1136.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.037401 (E_RNA)
where:
Base-Base interactions energy: -663.705
where: short stacking energy: -329.008
Base-Backbone interact. energy: 11.947
local terms energy: -484.279862
where:
bonds (distance) C4'-P energy: -128.010
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -109.152
flat angles P-C4'-P energy: -78.700
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -961.456616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.456616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.456616 (E_RNA)
where:
Base-Base interactions energy: -528.459
where: short stacking energy: -278.972
Base-Backbone interact. energy: 7.517
local terms energy: -440.514131
where:
bonds (distance) C4'-P energy: -129.591
bonds (distance) P-C4' energy: -147.242
flat angles C4'-P-C4' energy: -92.325
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2827.299683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.299683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.299683 (E_RNA)
where:
Base-Base interactions energy: -1969.252
where: short stacking energy: -810.148
Base-Backbone interact. energy: -3.320
local terms energy: -854.727386
where:
bonds (distance) C4'-P energy: -160.093
bonds (distance) P-C4' energy: -163.508
flat angles C4'-P-C4' energy: -181.842
flat angles P-C4'-P energy: -117.187
tors. eta vs tors. theta energy: -232.098
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: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2633.624599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.624599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.624599 (E_RNA)
where:
Base-Base interactions energy: -1783.656
where: short stacking energy: -762.989
Base-Backbone interact. energy: -2.988
local terms energy: -846.980550
where:
bonds (distance) C4'-P energy: -157.264
bonds (distance) P-C4' energy: -175.377
flat angles C4'-P-C4' energy: -182.502
flat angles P-C4'-P energy: -117.383
tors. eta vs tors. theta energy: -214.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2524.069357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.069357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.069357 (E_RNA)
where:
Base-Base interactions energy: -1739.867
where: short stacking energy: -752.611
Base-Backbone interact. energy: 0.836
local terms energy: -785.038031
where:
bonds (distance) C4'-P energy: -149.666
bonds (distance) P-C4' energy: -151.331
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -119.045
tors. eta vs tors. theta energy: -205.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2402.867258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.867258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.867258 (E_RNA)
where:
Base-Base interactions energy: -1605.814
where: short stacking energy: -671.748
Base-Backbone interact. energy: -1.826
local terms energy: -795.227389
where:
bonds (distance) C4'-P energy: -143.911
bonds (distance) P-C4' energy: -161.454
flat angles C4'-P-C4' energy: -174.044
flat angles P-C4'-P energy: -118.714
tors. eta vs tors. theta energy: -197.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2165.627443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.627443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.627443 (E_RNA)
where:
Base-Base interactions energy: -1413.397
where: short stacking energy: -630.776
Base-Backbone interact. energy: -2.514
local terms energy: -749.715881
where:
bonds (distance) C4'-P energy: -138.146
bonds (distance) P-C4' energy: -156.484
flat angles C4'-P-C4' energy: -174.919
flat angles P-C4'-P energy: -108.653
tors. eta vs tors. theta energy: -171.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2007.399281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.399281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.399281 (E_RNA)
where:
Base-Base interactions energy: -1344.007
where: short stacking energy: -553.579
Base-Backbone interact. energy: -0.511
local terms energy: -662.880591
where:
bonds (distance) C4'-P energy: -120.913
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -154.072
flat angles P-C4'-P energy: -100.613
tors. eta vs tors. theta energy: -151.308
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: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1688.613197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.613197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.613197 (E_RNA)
where:
Base-Base interactions energy: -1074.959
where: short stacking energy: -490.648
Base-Backbone interact. energy: 1.029
local terms energy: -614.683209
where:
bonds (distance) C4'-P energy: -143.273
bonds (distance) P-C4' energy: -134.730
flat angles C4'-P-C4' energy: -148.531
flat angles P-C4'-P energy: -86.506
tors. eta vs tors. theta energy: -101.644
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1543.342365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.342365 (E_RNA)
where:
Base-Base interactions energy: -990.125
where: short stacking energy: -424.101
Base-Backbone interact. energy: -1.776
local terms energy: -551.441807
where:
bonds (distance) C4'-P energy: -120.366
bonds (distance) P-C4' energy: -148.845
flat angles C4'-P-C4' energy: -125.481
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -75.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1175.428882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.428882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.428882 (E_RNA)
where:
Base-Base interactions energy: -666.104
where: short stacking energy: -325.929
Base-Backbone interact. energy: -2.304
local terms energy: -507.020560
where:
bonds (distance) C4'-P energy: -134.399
bonds (distance) P-C4' energy: -142.394
flat angles C4'-P-C4' energy: -121.101
flat angles P-C4'-P energy: -67.720
tors. eta vs tors. theta energy: -41.408
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: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -935.018663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.018663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.018663 (E_RNA)
where:
Base-Base interactions energy: -484.697
where: short stacking energy: -251.719
Base-Backbone interact. energy: -2.438
local terms energy: -447.883891
where:
bonds (distance) C4'-P energy: -128.076
bonds (distance) P-C4' energy: -124.579
flat angles C4'-P-C4' energy: -114.682
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2790.313804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.313804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.313804 (E_RNA)
where:
Base-Base interactions energy: -1949.067
where: short stacking energy: -770.942
Base-Backbone interact. energy: -2.855
local terms energy: -838.391768
where:
bonds (distance) C4'-P energy: -156.763
bonds (distance) P-C4' energy: -164.355
flat angles C4'-P-C4' energy: -171.206
flat angles P-C4'-P energy: -128.622
tors. eta vs tors. theta energy: -217.446
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: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2644.172884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.172884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.172884 (E_RNA)
where:
Base-Base interactions energy: -1806.136
where: short stacking energy: -750.108
Base-Backbone interact. energy: -5.141
local terms energy: -832.895352
where:
bonds (distance) C4'-P energy: -158.911
bonds (distance) P-C4' energy: -164.447
flat angles C4'-P-C4' energy: -173.175
flat angles P-C4'-P energy: -113.696
tors. eta vs tors. theta energy: -222.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2520.483520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.483520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.483520 (E_RNA)
where:
Base-Base interactions energy: -1733.517
where: short stacking energy: -747.300
Base-Backbone interact. energy: -0.118
local terms energy: -786.848609
where:
bonds (distance) C4'-P energy: -154.177
bonds (distance) P-C4' energy: -164.221
flat angles C4'-P-C4' energy: -170.294
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -205.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2390.043108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.043108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.043108 (E_RNA)
where:
Base-Base interactions energy: -1638.030
where: short stacking energy: -703.072
Base-Backbone interact. energy: -1.009
local terms energy: -751.003805
where:
bonds (distance) C4'-P energy: -136.409
bonds (distance) P-C4' energy: -140.106
flat angles C4'-P-C4' energy: -180.962
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -190.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2168.139327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.139327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.139327 (E_RNA)
where:
Base-Base interactions energy: -1433.231
where: short stacking energy: -600.433
Base-Backbone interact. energy: -2.843
local terms energy: -732.064703
where:
bonds (distance) C4'-P energy: -143.283
bonds (distance) P-C4' energy: -144.283
flat angles C4'-P-C4' energy: -167.138
flat angles P-C4'-P energy: -98.505
tors. eta vs tors. theta energy: -178.856
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: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1891.227943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.227943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.227943 (E_RNA)
where:
Base-Base interactions energy: -1216.358
where: short stacking energy: -524.168
Base-Backbone interact. energy: 1.317
local terms energy: -676.187079
where:
bonds (distance) C4'-P energy: -162.005
bonds (distance) P-C4' energy: -134.408
flat angles C4'-P-C4' energy: -140.213
flat angles P-C4'-P energy: -99.114
tors. eta vs tors. theta energy: -140.447
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1724.698847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.698847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.698847 (E_RNA)
where:
Base-Base interactions energy: -1119.249
where: short stacking energy: -511.990
Base-Backbone interact. energy: -0.006
local terms energy: -605.443722
where:
bonds (distance) C4'-P energy: -129.680
bonds (distance) P-C4' energy: -130.471
flat angles C4'-P-C4' energy: -154.312
flat angles P-C4'-P energy: -81.736
tors. eta vs tors. theta energy: -109.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1576.190829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.190829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.190829 (E_RNA)
where:
Base-Base interactions energy: -988.474
where: short stacking energy: -445.288
Base-Backbone interact. energy: -1.832
local terms energy: -585.884611
where:
bonds (distance) C4'-P energy: -124.752
bonds (distance) P-C4' energy: -158.680
flat angles C4'-P-C4' energy: -136.798
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -87.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1145.822920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.822920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.822920 (E_RNA)
where:
Base-Base interactions energy: -646.314
where: short stacking energy: -306.426
Base-Backbone interact. energy: -2.619
local terms energy: -496.890038
where:
bonds (distance) C4'-P energy: -129.030
bonds (distance) P-C4' energy: -125.394
flat angles C4'-P-C4' energy: -135.130
flat angles P-C4'-P energy: -59.904
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -918.231984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.231984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.231984 (E_RNA)
where:
Base-Base interactions energy: -466.129
where: short stacking energy: -263.407
Base-Backbone interact. energy: 2.989
local terms energy: -455.091541
where:
bonds (distance) C4'-P energy: -128.517
bonds (distance) P-C4' energy: -140.019
flat angles C4'-P-C4' energy: -96.683
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2816.609121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.609121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.609121 (E_RNA)
where:
Base-Base interactions energy: -1958.663
where: short stacking energy: -789.656
Base-Backbone interact. energy: 0.162
local terms energy: -858.107772
where:
bonds (distance) C4'-P energy: -163.172
bonds (distance) P-C4' energy: -163.660
flat angles C4'-P-C4' energy: -186.366
flat angles P-C4'-P energy: -122.045
tors. eta vs tors. theta energy: -222.864
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: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2637.875367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.875367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.875367 (E_RNA)
where:
Base-Base interactions energy: -1812.097
where: short stacking energy: -769.413
Base-Backbone interact. energy: -1.021
local terms energy: -824.757057
where:
bonds (distance) C4'-P energy: -136.820
bonds (distance) P-C4' energy: -157.854
flat angles C4'-P-C4' energy: -169.245
flat angles P-C4'-P energy: -130.960
tors. eta vs tors. theta energy: -229.878
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: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2491.928737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.928737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.928737 (E_RNA)
where:
Base-Base interactions energy: -1681.590
where: short stacking energy: -713.242
Base-Backbone interact. energy: -2.583
local terms energy: -807.755749
where:
bonds (distance) C4'-P energy: -157.957
bonds (distance) P-C4' energy: -151.136
flat angles C4'-P-C4' energy: -187.757
flat angles P-C4'-P energy: -104.515
tors. eta vs tors. theta energy: -206.390
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: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2394.364507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.364507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.364507 (E_RNA)
where:
Base-Base interactions energy: -1625.036
where: short stacking energy: -682.888
Base-Backbone interact. energy: 4.027
local terms energy: -773.950288
where:
bonds (distance) C4'-P energy: -146.615
bonds (distance) P-C4' energy: -162.817
flat angles C4'-P-C4' energy: -169.737
flat angles P-C4'-P energy: -96.482
tors. eta vs tors. theta energy: -198.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.594 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2215.729740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.729740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.729740 (E_RNA)
where:
Base-Base interactions energy: -1465.813
where: short stacking energy: -660.056
Base-Backbone interact. energy: 0.779
local terms energy: -750.696653
where:
bonds (distance) C4'-P energy: -155.667
bonds (distance) P-C4' energy: -146.554
flat angles C4'-P-C4' energy: -165.330
flat angles P-C4'-P energy: -108.189
tors. eta vs tors. theta energy: -174.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1909.208836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.208836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.208836 (E_RNA)
where:
Base-Base interactions energy: -1254.447
where: short stacking energy: -561.918
Base-Backbone interact. energy: -1.723
local terms energy: -653.038795
where:
bonds (distance) C4'-P energy: -132.522
bonds (distance) P-C4' energy: -142.406
flat angles C4'-P-C4' energy: -158.744
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -143.082
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: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1788.610434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.610434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.610434 (E_RNA)
where:
Base-Base interactions energy: -1166.530
where: short stacking energy: -531.106
Base-Backbone interact. energy: -1.019
local terms energy: -621.061521
where:
bonds (distance) C4'-P energy: -130.745
bonds (distance) P-C4' energy: -120.098
flat angles C4'-P-C4' energy: -155.430
flat angles P-C4'-P energy: -98.434
tors. eta vs tors. theta energy: -116.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1542.872453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.872453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.872453 (E_RNA)
where:
Base-Base interactions energy: -984.007
where: short stacking energy: -442.773
Base-Backbone interact. energy: 5.601
local terms energy: -564.465831
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -135.716
flat angles P-C4'-P energy: -89.931
tors. eta vs tors. theta energy: -75.963
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: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1175.881389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.881389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.881389 (E_RNA)
where:
Base-Base interactions energy: -712.930
where: short stacking energy: -326.808
Base-Backbone interact. energy: 5.296
local terms energy: -468.247243
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -143.403
flat angles C4'-P-C4' energy: -107.112
flat angles P-C4'-P energy: -70.004
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -955.605569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.605569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.605569 (E_RNA)
where:
Base-Base interactions energy: -477.181
where: short stacking energy: -225.250
Base-Backbone interact. energy: -1.726
local terms energy: -476.698532
where:
bonds (distance) C4'-P energy: -123.119
bonds (distance) P-C4' energy: -148.382
flat angles C4'-P-C4' energy: -118.507
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: -4.308
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: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2835.997520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.997520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.997520 (E_RNA)
where:
Base-Base interactions energy: -1997.668
where: short stacking energy: -790.768
Base-Backbone interact. energy: -3.513
local terms energy: -834.816084
where:
bonds (distance) C4'-P energy: -140.738
bonds (distance) P-C4' energy: -160.822
flat angles C4'-P-C4' energy: -185.302
flat angles P-C4'-P energy: -123.967
tors. eta vs tors. theta energy: -223.987
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2639.090891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.090891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.090891 (E_RNA)
where:
Base-Base interactions energy: -1841.310
where: short stacking energy: -789.111
Base-Backbone interact. energy: 0.792
local terms energy: -798.572554
where:
bonds (distance) C4'-P energy: -133.786
bonds (distance) P-C4' energy: -155.969
flat angles C4'-P-C4' energy: -172.658
flat angles P-C4'-P energy: -121.078
tors. eta vs tors. theta energy: -215.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2438.084546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.084546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.084546 (E_RNA)
where:
Base-Base interactions energy: -1626.972
where: short stacking energy: -701.527
Base-Backbone interact. energy: 0.277
local terms energy: -811.389304
where:
bonds (distance) C4'-P energy: -145.571
bonds (distance) P-C4' energy: -166.328
flat angles C4'-P-C4' energy: -167.420
flat angles P-C4'-P energy: -131.883
tors. eta vs tors. theta energy: -200.186
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: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2390.999347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.999347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.999347 (E_RNA)
where:
Base-Base interactions energy: -1642.252
where: short stacking energy: -683.350
Base-Backbone interact. energy: -1.389
local terms energy: -747.357869
where:
bonds (distance) C4'-P energy: -150.923
bonds (distance) P-C4' energy: -145.294
flat angles C4'-P-C4' energy: -164.549
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -193.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2169.525903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.525903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.525903 (E_RNA)
where:
Base-Base interactions energy: -1461.725
where: short stacking energy: -633.367
Base-Backbone interact. energy: 3.325
local terms energy: -711.125906
where:
bonds (distance) C4'-P energy: -123.531
bonds (distance) P-C4' energy: -145.626
flat angles C4'-P-C4' energy: -159.328
flat angles P-C4'-P energy: -97.525
tors. eta vs tors. theta energy: -185.116
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1975.776793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.776793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.776793 (E_RNA)
where:
Base-Base interactions energy: -1292.458
where: short stacking energy: -557.628
Base-Backbone interact. energy: -0.935
local terms energy: -682.384430
where:
bonds (distance) C4'-P energy: -132.702
bonds (distance) P-C4' energy: -145.541
flat angles C4'-P-C4' energy: -162.435
flat angles P-C4'-P energy: -93.756
tors. eta vs tors. theta energy: -147.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1758.323590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.323590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.323590 (E_RNA)
where:
Base-Base interactions energy: -1169.678
where: short stacking energy: -481.026
Base-Backbone interact. energy: -4.526
local terms energy: -584.119335
where:
bonds (distance) C4'-P energy: -132.738
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -129.459
flat angles P-C4'-P energy: -82.232
tors. eta vs tors. theta energy: -107.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1522.047186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.047186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.047186 (E_RNA)
where:
Base-Base interactions energy: -958.799
where: short stacking energy: -434.691
Base-Backbone interact. energy: -4.468
local terms energy: -558.780689
where:
bonds (distance) C4'-P energy: -125.175
bonds (distance) P-C4' energy: -137.082
flat angles C4'-P-C4' energy: -137.443
flat angles P-C4'-P energy: -82.871
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1155.100294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.100294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.100294 (E_RNA)
where:
Base-Base interactions energy: -626.625
where: short stacking energy: -308.254
Base-Backbone interact. energy: 0.584
local terms energy: -529.059285
where:
bonds (distance) C4'-P energy: -131.753
bonds (distance) P-C4' energy: -152.307
flat angles C4'-P-C4' energy: -120.974
flat angles P-C4'-P energy: -87.799
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -947.098246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.098246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.098246 (E_RNA)
where:
Base-Base interactions energy: -505.120
where: short stacking energy: -264.742
Base-Backbone interact. energy: 0.796
local terms energy: -442.774346
where:
bonds (distance) C4'-P energy: -125.299
bonds (distance) P-C4' energy: -142.086
flat angles C4'-P-C4' energy: -105.325
flat angles P-C4'-P energy: -49.930
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2826.885366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.885366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.885366 (E_RNA)
where:
Base-Base interactions energy: -1968.353
where: short stacking energy: -802.539
Base-Backbone interact. energy: -6.810
local terms energy: -851.722030
where:
bonds (distance) C4'-P energy: -164.312
bonds (distance) P-C4' energy: -167.152
flat angles C4'-P-C4' energy: -182.353
flat angles P-C4'-P energy: -116.316
tors. eta vs tors. theta energy: -221.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2556.313004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.313004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.313004 (E_RNA)
where:
Base-Base interactions energy: -1775.617
where: short stacking energy: -743.475
Base-Backbone interact. energy: 0.135
local terms energy: -780.830754
where:
bonds (distance) C4'-P energy: -155.686
bonds (distance) P-C4' energy: -161.916
flat angles C4'-P-C4' energy: -158.386
flat angles P-C4'-P energy: -99.063
tors. eta vs tors. theta energy: -205.780
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: 321
Temperature: 1.000000
Total energy: -2454.954266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.954266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.954266 (E_RNA)
where:
Base-Base interactions energy: -1656.168
where: short stacking energy: -726.018
Base-Backbone interact. energy: -2.746
local terms energy: -796.040600
where:
bonds (distance) C4'-P energy: -150.555
bonds (distance) P-C4' energy: -173.048
flat angles C4'-P-C4' energy: -154.013
flat angles P-C4'-P energy: -110.412
tors. eta vs tors. theta energy: -208.013
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: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2424.813827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.813827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.813827 (E_RNA)
where:
Base-Base interactions energy: -1667.854
where: short stacking energy: -710.290
Base-Backbone interact. energy: -0.466
local terms energy: -756.494039
where:
bonds (distance) C4'-P energy: -154.093
bonds (distance) P-C4' energy: -151.025
flat angles C4'-P-C4' energy: -156.846
flat angles P-C4'-P energy: -101.719
tors. eta vs tors. theta energy: -192.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2209.017286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.017286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.017286 (E_RNA)
where:
Base-Base interactions energy: -1466.820
where: short stacking energy: -647.077
Base-Backbone interact. energy: -1.159
local terms energy: -741.038009
where:
bonds (distance) C4'-P energy: -143.344
bonds (distance) P-C4' energy: -149.094
flat angles C4'-P-C4' energy: -152.341
flat angles P-C4'-P energy: -102.539
tors. eta vs tors. theta energy: -193.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1995.146587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.146587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.146587 (E_RNA)
where:
Base-Base interactions energy: -1320.243
where: short stacking energy: -565.346
Base-Backbone interact. energy: -0.510
local terms energy: -674.393148
where:
bonds (distance) C4'-P energy: -130.193
bonds (distance) P-C4' energy: -136.763
flat angles C4'-P-C4' energy: -145.690
flat angles P-C4'-P energy: -100.441
tors. eta vs tors. theta energy: -161.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1725.477855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.477855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.477855 (E_RNA)
where:
Base-Base interactions energy: -1120.998
where: short stacking energy: -442.972
Base-Backbone interact. energy: -3.190
local terms energy: -601.289494
where:
bonds (distance) C4'-P energy: -153.843
bonds (distance) P-C4' energy: -139.378
flat angles C4'-P-C4' energy: -137.473
flat angles P-C4'-P energy: -79.173
tors. eta vs tors. theta energy: -91.423
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1523.229109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.229109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.229109 (E_RNA)
where:
Base-Base interactions energy: -941.719
where: short stacking energy: -430.692
Base-Backbone interact. energy: 0.402
local terms energy: -581.911470
where:
bonds (distance) C4'-P energy: -132.410
bonds (distance) P-C4' energy: -163.899
flat angles C4'-P-C4' energy: -124.718
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -82.696
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: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1169.902329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.902329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.902329 (E_RNA)
where:
Base-Base interactions energy: -659.536
where: short stacking energy: -328.787
Base-Backbone interact. energy: -0.504
local terms energy: -509.862073
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -140.904
flat angles C4'-P-C4' energy: -124.588
flat angles P-C4'-P energy: -83.525
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -917.707824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.707824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.707824 (E_RNA)
where:
Base-Base interactions energy: -455.965
where: short stacking energy: -244.212
Base-Backbone interact. energy: 7.711
local terms energy: -469.454338
where:
bonds (distance) C4'-P energy: -137.202
bonds (distance) P-C4' energy: -134.378
flat angles C4'-P-C4' energy: -116.432
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2815.451112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.451112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.451112 (E_RNA)
where:
Base-Base interactions energy: -1947.231
where: short stacking energy: -805.526
Base-Backbone interact. energy: -0.475
local terms energy: -867.744932
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -170.335
flat angles C4'-P-C4' energy: -191.276
flat angles P-C4'-P energy: -126.791
tors. eta vs tors. theta energy: -232.482
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2594.914364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.914364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.914364 (E_RNA)
where:
Base-Base interactions energy: -1786.224
where: short stacking energy: -731.963
Base-Backbone interact. energy: -4.408
local terms energy: -804.282371
where:
bonds (distance) C4'-P energy: -164.717
bonds (distance) P-C4' energy: -153.553
flat angles C4'-P-C4' energy: -167.881
flat angles P-C4'-P energy: -118.938
tors. eta vs tors. theta energy: -199.193
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2443.957791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.957791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.957791 (E_RNA)
where:
Base-Base interactions energy: -1676.660
where: short stacking energy: -725.461
Base-Backbone interact. energy: 0.965
local terms energy: -768.262735
where:
bonds (distance) C4'-P energy: -150.029
bonds (distance) P-C4' energy: -140.808
flat angles C4'-P-C4' energy: -178.826
flat angles P-C4'-P energy: -107.305
tors. eta vs tors. theta energy: -191.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2380.857778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.857778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.857778 (E_RNA)
where:
Base-Base interactions energy: -1600.255
where: short stacking energy: -691.955
Base-Backbone interact. energy: -3.076
local terms energy: -777.526324
where:
bonds (distance) C4'-P energy: -154.995
bonds (distance) P-C4' energy: -148.837
flat angles C4'-P-C4' energy: -152.359
flat angles P-C4'-P energy: -116.236
tors. eta vs tors. theta energy: -205.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2171.560833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.560833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.560833 (E_RNA)
where:
Base-Base interactions energy: -1431.094
where: short stacking energy: -648.195
Base-Backbone interact. energy: -3.226
local terms energy: -737.240583
where:
bonds (distance) C4'-P energy: -134.417
bonds (distance) P-C4' energy: -138.599
flat angles C4'-P-C4' energy: -156.493
flat angles P-C4'-P energy: -114.558
tors. eta vs tors. theta energy: -193.173
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2006.640927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.640927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.640927 (E_RNA)
where:
Base-Base interactions energy: -1285.129
where: short stacking energy: -587.007
Base-Backbone interact. energy: -0.657
local terms energy: -720.854867
where:
bonds (distance) C4'-P energy: -133.662
bonds (distance) P-C4' energy: -157.840
flat angles C4'-P-C4' energy: -161.707
flat angles P-C4'-P energy: -122.773
tors. eta vs tors. theta energy: -144.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1700.749438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.749438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.749438 (E_RNA)
where:
Base-Base interactions energy: -1058.939
where: short stacking energy: -450.372
Base-Backbone interact. energy: -0.783
local terms energy: -641.027098
where:
bonds (distance) C4'-P energy: -149.877
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -150.174
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -108.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1568.938706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.938706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.938706 (E_RNA)
where:
Base-Base interactions energy: -970.962
where: short stacking energy: -440.308
Base-Backbone interact. energy: 3.113
local terms energy: -601.089796
where:
bonds (distance) C4'-P energy: -138.120
bonds (distance) P-C4' energy: -140.476
flat angles C4'-P-C4' energy: -132.560
flat angles P-C4'-P energy: -100.030
tors. eta vs tors. theta energy: -89.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1103.194992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.194992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.194992 (E_RNA)
where:
Base-Base interactions energy: -635.986
where: short stacking energy: -293.295
Base-Backbone interact. energy: -1.085
local terms energy: -466.123412
where:
bonds (distance) C4'-P energy: -132.601
bonds (distance) P-C4' energy: -129.550
flat angles C4'-P-C4' energy: -126.622
flat angles P-C4'-P energy: -60.266
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -861.044504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.044504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.044504 (E_RNA)
where:
Base-Base interactions energy: -428.554
where: short stacking energy: -233.272
Base-Backbone interact. energy: -3.968
local terms energy: -428.522328
where:
bonds (distance) C4'-P energy: -127.056
bonds (distance) P-C4' energy: -127.690
flat angles C4'-P-C4' energy: -111.856
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: 2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2830.108695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.108695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.108695 (E_RNA)
where:
Base-Base interactions energy: -1981.479
where: short stacking energy: -790.794
Base-Backbone interact. energy: 0.081
local terms energy: -848.711137
where:
bonds (distance) C4'-P energy: -149.320
bonds (distance) P-C4' energy: -166.761
flat angles C4'-P-C4' energy: -177.325
flat angles P-C4'-P energy: -125.586
tors. eta vs tors. theta energy: -229.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2540.894864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.894864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.894864 (E_RNA)
where:
Base-Base interactions energy: -1740.485
where: short stacking energy: -704.648
Base-Backbone interact. energy: -0.467
local terms energy: -799.942872
where:
bonds (distance) C4'-P energy: -164.157
bonds (distance) P-C4' energy: -169.556
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -109.843
tors. eta vs tors. theta energy: -193.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2452.227063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.227063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.227063 (E_RNA)
where:
Base-Base interactions energy: -1656.257
where: short stacking energy: -715.829
Base-Backbone interact. energy: 1.476
local terms energy: -797.446469
where:
bonds (distance) C4'-P energy: -153.994
bonds (distance) P-C4' energy: -151.755
flat angles C4'-P-C4' energy: -179.666
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -201.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2372.479418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.479418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.479418 (E_RNA)
where:
Base-Base interactions energy: -1625.219
where: short stacking energy: -683.500
Base-Backbone interact. energy: 1.067
local terms energy: -748.327839
where:
bonds (distance) C4'-P energy: -117.814
bonds (distance) P-C4' energy: -157.265
flat angles C4'-P-C4' energy: -162.148
flat angles P-C4'-P energy: -118.834
tors. eta vs tors. theta energy: -192.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2247.485948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.485948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.485948 (E_RNA)
where:
Base-Base interactions energy: -1486.447
where: short stacking energy: -663.955
Base-Backbone interact. energy: -1.284
local terms energy: -759.755564
where:
bonds (distance) C4'-P energy: -147.342
bonds (distance) P-C4' energy: -146.477
flat angles C4'-P-C4' energy: -164.471
flat angles P-C4'-P energy: -111.172
tors. eta vs tors. theta energy: -190.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1938.586580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.586580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.586580 (E_RNA)
where:
Base-Base interactions energy: -1282.298
where: short stacking energy: -576.572
Base-Backbone interact. energy: -3.296
local terms energy: -652.993348
where:
bonds (distance) C4'-P energy: -128.406
bonds (distance) P-C4' energy: -150.970
flat angles C4'-P-C4' energy: -136.900
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -151.051
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1680.954098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.954098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.954098 (E_RNA)
where:
Base-Base interactions energy: -1062.744
where: short stacking energy: -459.710
Base-Backbone interact. energy: -2.885
local terms energy: -615.325177
where:
bonds (distance) C4'-P energy: -143.722
bonds (distance) P-C4' energy: -145.130
flat angles C4'-P-C4' energy: -142.674
flat angles P-C4'-P energy: -93.923
tors. eta vs tors. theta energy: -89.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1535.252494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.252494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.252494 (E_RNA)
where:
Base-Base interactions energy: -1013.967
where: short stacking energy: -420.205
Base-Backbone interact. energy: 0.771
local terms energy: -522.057037
where:
bonds (distance) C4'-P energy: -127.256
bonds (distance) P-C4' energy: -138.922
flat angles C4'-P-C4' energy: -126.621
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -67.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1097.331562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.331562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.331562 (E_RNA)
where:
Base-Base interactions energy: -589.860
where: short stacking energy: -316.409
Base-Backbone interact. energy: -2.271
local terms energy: -505.200269
where:
bonds (distance) C4'-P energy: -117.963
bonds (distance) P-C4' energy: -132.613
flat angles C4'-P-C4' energy: -124.084
flat angles P-C4'-P energy: -83.257
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: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -917.803602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.803602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.803602 (E_RNA)
where:
Base-Base interactions energy: -511.374
where: short stacking energy: -267.986
Base-Backbone interact. energy: -3.150
local terms energy: -403.278981
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -104.338
flat angles P-C4'-P energy: -74.794
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2844.722957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.722957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.722957 (E_RNA)
where:
Base-Base interactions energy: -1993.078
where: short stacking energy: -787.957
Base-Backbone interact. energy: -6.170
local terms energy: -845.474578
where:
bonds (distance) C4'-P energy: -162.146
bonds (distance) P-C4' energy: -156.050
flat angles C4'-P-C4' energy: -187.136
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -233.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2569.444007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.444007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.444007 (E_RNA)
where:
Base-Base interactions energy: -1734.397
where: short stacking energy: -767.973
Base-Backbone interact. energy: -5.782
local terms energy: -829.264227
where:
bonds (distance) C4'-P energy: -163.862
bonds (distance) P-C4' energy: -162.675
flat angles C4'-P-C4' energy: -181.646
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -209.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2485.004413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.004413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.004413 (E_RNA)
where:
Base-Base interactions energy: -1661.800
where: short stacking energy: -716.211
Base-Backbone interact. energy: -3.338
local terms energy: -819.865849
where:
bonds (distance) C4'-P energy: -154.925
bonds (distance) P-C4' energy: -158.761
flat angles C4'-P-C4' energy: -172.088
flat angles P-C4'-P energy: -112.385
tors. eta vs tors. theta energy: -221.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2352.843187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.843187 (E_RNA)
where:
Base-Base interactions energy: -1591.617
where: short stacking energy: -705.815
Base-Backbone interact. energy: 3.822
local terms energy: -765.048112
where:
bonds (distance) C4'-P energy: -135.334
bonds (distance) P-C4' energy: -147.398
flat angles C4'-P-C4' energy: -153.372
flat angles P-C4'-P energy: -113.271
tors. eta vs tors. theta energy: -215.674
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2197.759359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.759359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.759359 (E_RNA)
where:
Base-Base interactions energy: -1490.425
where: short stacking energy: -647.494
Base-Backbone interact. energy: -1.385
local terms energy: -705.949078
where:
bonds (distance) C4'-P energy: -149.851
bonds (distance) P-C4' energy: -133.989
flat angles C4'-P-C4' energy: -160.144
flat angles P-C4'-P energy: -83.728
tors. eta vs tors. theta energy: -178.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1935.317206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.317206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.317206 (E_RNA)
where:
Base-Base interactions energy: -1228.624
where: short stacking energy: -562.860
Base-Backbone interact. energy: -2.579
local terms energy: -704.113847
where:
bonds (distance) C4'-P energy: -155.560
bonds (distance) P-C4' energy: -141.210
flat angles C4'-P-C4' energy: -159.938
flat angles P-C4'-P energy: -98.962
tors. eta vs tors. theta energy: -148.443
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: 324
Temperature: 1.200000
Total energy: -1521.991578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.991578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.991578 (E_RNA)
where:
Base-Base interactions energy: -977.627
where: short stacking energy: -430.850
Base-Backbone interact. energy: -3.166
local terms energy: -541.198137
where:
bonds (distance) C4'-P energy: -132.295
bonds (distance) P-C4' energy: -129.083
flat angles C4'-P-C4' energy: -139.011
flat angles P-C4'-P energy: -69.766
tors. eta vs tors. theta energy: -71.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1602.494944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.494944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.494944 (E_RNA)
where:
Base-Base interactions energy: -1026.835
where: short stacking energy: -442.453
Base-Backbone interact. energy: 4.076
local terms energy: -579.735708
where:
bonds (distance) C4'-P energy: -130.534
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -99.069
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1081.459768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.459768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.459768 (E_RNA)
where:
Base-Base interactions energy: -609.454
where: short stacking energy: -304.742
Base-Backbone interact. energy: 4.697
local terms energy: -476.702573
where:
bonds (distance) C4'-P energy: -119.309
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -130.313
flat angles P-C4'-P energy: -68.619
tors. eta vs tors. theta energy: -41.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -930.734359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.734359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.734359 (E_RNA)
where:
Base-Base interactions energy: -513.903
where: short stacking energy: -277.561
Base-Backbone interact. energy: -0.038
local terms energy: -416.792662
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -117.246
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -86.531
tors. eta vs tors. theta energy: 10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2863.728172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.728172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.728172 (E_RNA)
where:
Base-Base interactions energy: -2031.210
where: short stacking energy: -816.631
Base-Backbone interact. energy: 2.645
local terms energy: -835.162976
where:
bonds (distance) C4'-P energy: -161.890
bonds (distance) P-C4' energy: -151.423
flat angles C4'-P-C4' energy: -177.783
flat angles P-C4'-P energy: -109.155
tors. eta vs tors. theta energy: -234.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2557.796001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.796001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.796001 (E_RNA)
where:
Base-Base interactions energy: -1744.832
where: short stacking energy: -740.550
Base-Backbone interact. energy: -6.585
local terms energy: -806.378713
where:
bonds (distance) C4'-P energy: -165.597
bonds (distance) P-C4' energy: -141.105
flat angles C4'-P-C4' energy: -172.915
flat angles P-C4'-P energy: -111.354
tors. eta vs tors. theta energy: -215.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2464.704036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.704036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.704036 (E_RNA)
where:
Base-Base interactions energy: -1652.299
where: short stacking energy: -718.754
Base-Backbone interact. energy: 0.406
local terms energy: -812.811222
where:
bonds (distance) C4'-P energy: -152.577
bonds (distance) P-C4' energy: -154.299
flat angles C4'-P-C4' energy: -187.181
flat angles P-C4'-P energy: -118.505
tors. eta vs tors. theta energy: -200.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2362.306208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.306208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.306208 (E_RNA)
where:
Base-Base interactions energy: -1572.186
where: short stacking energy: -703.154
Base-Backbone interact. energy: -0.900
local terms energy: -789.220180
where:
bonds (distance) C4'-P energy: -154.620
bonds (distance) P-C4' energy: -165.896
flat angles C4'-P-C4' energy: -167.012
flat angles P-C4'-P energy: -101.841
tors. eta vs tors. theta energy: -199.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2159.642208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.642208 (E_RNA)
where:
Base-Base interactions energy: -1416.496
where: short stacking energy: -627.412
Base-Backbone interact. energy: 1.437
local terms energy: -744.582959
where:
bonds (distance) C4'-P energy: -152.353
bonds (distance) P-C4' energy: -156.437
flat angles C4'-P-C4' energy: -165.004
flat angles P-C4'-P energy: -86.536
tors. eta vs tors. theta energy: -184.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1973.527112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.527112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.527112 (E_RNA)
where:
Base-Base interactions energy: -1317.658
where: short stacking energy: -568.485
Base-Backbone interact. energy: -0.345
local terms energy: -655.523584
where:
bonds (distance) C4'-P energy: -132.693
bonds (distance) P-C4' energy: -155.429
flat angles C4'-P-C4' energy: -147.056
flat angles P-C4'-P energy: -71.277
tors. eta vs tors. theta energy: -149.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1526.497414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.497414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.497414 (E_RNA)
where:
Base-Base interactions energy: -963.053
where: short stacking energy: -410.503
Base-Backbone interact. energy: -3.266
local terms energy: -560.178966
where:
bonds (distance) C4'-P energy: -131.618
bonds (distance) P-C4' energy: -149.815
flat angles C4'-P-C4' energy: -116.793
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -87.137
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1610.268476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.268476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.268476 (E_RNA)
where:
Base-Base interactions energy: -1030.730
where: short stacking energy: -449.020
Base-Backbone interact. energy: 4.975
local terms energy: -584.514338
where:
bonds (distance) C4'-P energy: -129.246
bonds (distance) P-C4' energy: -138.557
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -96.403
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1017.377317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.377317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.377317 (E_RNA)
where:
Base-Base interactions energy: -559.715
where: short stacking energy: -296.960
Base-Backbone interact. energy: 2.521
local terms energy: -460.183276
where:
bonds (distance) C4'-P energy: -128.145
bonds (distance) P-C4' energy: -119.678
flat angles C4'-P-C4' energy: -124.266
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -913.546266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.546266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.546266 (E_RNA)
where:
Base-Base interactions energy: -498.638
where: short stacking energy: -277.306
Base-Backbone interact. energy: -3.575
local terms energy: -411.333230
where:
bonds (distance) C4'-P energy: -108.935
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -110.333
flat angles P-C4'-P energy: -68.067
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2868.199279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.199279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.199279 (E_RNA)
where:
Base-Base interactions energy: -2004.738
where: short stacking energy: -804.213
Base-Backbone interact. energy: -4.957
local terms energy: -858.504840
where:
bonds (distance) C4'-P energy: -152.507
bonds (distance) P-C4' energy: -166.332
flat angles C4'-P-C4' energy: -196.039
flat angles P-C4'-P energy: -119.552
tors. eta vs tors. theta energy: -224.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2596.280177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.280177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.280177 (E_RNA)
where:
Base-Base interactions energy: -1769.745
where: short stacking energy: -756.836
Base-Backbone interact. energy: 1.751
local terms energy: -828.285965
where:
bonds (distance) C4'-P energy: -141.461
bonds (distance) P-C4' energy: -164.768
flat angles C4'-P-C4' energy: -175.066
flat angles P-C4'-P energy: -128.051
tors. eta vs tors. theta energy: -218.941
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: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2486.846712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.846712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.846712 (E_RNA)
where:
Base-Base interactions energy: -1703.000
where: short stacking energy: -691.387
Base-Backbone interact. energy: 2.307
local terms energy: -786.153537
where:
bonds (distance) C4'-P energy: -149.728
bonds (distance) P-C4' energy: -156.870
flat angles C4'-P-C4' energy: -159.122
flat angles P-C4'-P energy: -121.393
tors. eta vs tors. theta energy: -199.041
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: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2336.455203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.455203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.455203 (E_RNA)
where:
Base-Base interactions energy: -1568.316
where: short stacking energy: -677.336
Base-Backbone interact. energy: -1.832
local terms energy: -766.306483
where:
bonds (distance) C4'-P energy: -144.242
bonds (distance) P-C4' energy: -144.744
flat angles C4'-P-C4' energy: -171.521
flat angles P-C4'-P energy: -121.669
tors. eta vs tors. theta energy: -184.131
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2150.580138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.580138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.580138 (E_RNA)
where:
Base-Base interactions energy: -1406.050
where: short stacking energy: -620.517
Base-Backbone interact. energy: -0.506
local terms energy: -744.024409
where:
bonds (distance) C4'-P energy: -141.755
bonds (distance) P-C4' energy: -157.790
flat angles C4'-P-C4' energy: -149.115
flat angles P-C4'-P energy: -113.854
tors. eta vs tors. theta energy: -181.509
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: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2031.344590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.344590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.344590 (E_RNA)
where:
Base-Base interactions energy: -1324.725
where: short stacking energy: -563.176
Base-Backbone interact. energy: -0.705
local terms energy: -705.914698
where:
bonds (distance) C4'-P energy: -152.654
bonds (distance) P-C4' energy: -144.237
flat angles C4'-P-C4' energy: -152.347
flat angles P-C4'-P energy: -98.472
tors. eta vs tors. theta energy: -158.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1660.501524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.501524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.501524 (E_RNA)
where:
Base-Base interactions energy: -1055.725
where: short stacking energy: -450.632
Base-Backbone interact. energy: -0.379
local terms energy: -604.397839
where:
bonds (distance) C4'-P energy: -160.171
bonds (distance) P-C4' energy: -125.020
flat angles C4'-P-C4' energy: -133.044
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -85.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1473.748214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.748214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.748214 (E_RNA)
where:
Base-Base interactions energy: -912.454
where: short stacking energy: -395.586
Base-Backbone interact. energy: -1.584
local terms energy: -559.710773
where:
bonds (distance) C4'-P energy: -110.737
bonds (distance) P-C4' energy: -137.078
flat angles C4'-P-C4' energy: -138.422
flat angles P-C4'-P energy: -109.028
tors. eta vs tors. theta energy: -64.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -998.681930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.681930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.681930 (E_RNA)
where:
Base-Base interactions energy: -563.053
where: short stacking energy: -280.428
Base-Backbone interact. energy: -0.163
local terms energy: -435.465889
where:
bonds (distance) C4'-P energy: -119.142
bonds (distance) P-C4' energy: -133.009
flat angles C4'-P-C4' energy: -107.797
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -11.400
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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -915.970007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.970007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.970007 (E_RNA)
where:
Base-Base interactions energy: -459.022
where: short stacking energy: -256.583
Base-Backbone interact. energy: 0.364
local terms energy: -457.810221
where:
bonds (distance) C4'-P energy: -124.101
bonds (distance) P-C4' energy: -112.134
flat angles C4'-P-C4' energy: -138.069
flat angles P-C4'-P energy: -72.206
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.498 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2855.232668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.232668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.232668 (E_RNA)
where:
Base-Base interactions energy: -2002.291
where: short stacking energy: -803.388
Base-Backbone interact. energy: -4.901
local terms energy: -848.040470
where:
bonds (distance) C4'-P energy: -162.111
bonds (distance) P-C4' energy: -173.398
flat angles C4'-P-C4' energy: -159.858
flat angles P-C4'-P energy: -131.557
tors. eta vs tors. theta energy: -221.117
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: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2556.087330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.087330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.087330 (E_RNA)
where:
Base-Base interactions energy: -1746.785
where: short stacking energy: -729.537
Base-Backbone interact. energy: -0.610
local terms energy: -808.692441
where:
bonds (distance) C4'-P energy: -146.206
bonds (distance) P-C4' energy: -156.719
flat angles C4'-P-C4' energy: -178.739
flat angles P-C4'-P energy: -112.060
tors. eta vs tors. theta energy: -214.968
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: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2496.787058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.787058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.787058 (E_RNA)
where:
Base-Base interactions energy: -1703.758
where: short stacking energy: -727.842
Base-Backbone interact. energy: -1.036
local terms energy: -791.993979
where:
bonds (distance) C4'-P energy: -147.488
bonds (distance) P-C4' energy: -177.484
flat angles C4'-P-C4' energy: -163.000
flat angles P-C4'-P energy: -100.920
tors. eta vs tors. theta energy: -203.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2378.671631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.671631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.671631 (E_RNA)
where:
Base-Base interactions energy: -1576.850
where: short stacking energy: -670.476
Base-Backbone interact. energy: -0.524
local terms energy: -801.296900
where:
bonds (distance) C4'-P energy: -156.080
bonds (distance) P-C4' energy: -161.724
flat angles C4'-P-C4' energy: -168.606
flat angles P-C4'-P energy: -117.459
tors. eta vs tors. theta energy: -197.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2124.728966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.728966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.728966 (E_RNA)
where:
Base-Base interactions energy: -1406.521
where: short stacking energy: -609.917
Base-Backbone interact. energy: 0.747
local terms energy: -718.954385
where:
bonds (distance) C4'-P energy: -148.252
bonds (distance) P-C4' energy: -139.782
flat angles C4'-P-C4' energy: -160.289
flat angles P-C4'-P energy: -85.917
tors. eta vs tors. theta energy: -184.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2018.284033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.284033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.284033 (E_RNA)
where:
Base-Base interactions energy: -1330.102
where: short stacking energy: -577.229
Base-Backbone interact. energy: -3.163
local terms energy: -685.019151
where:
bonds (distance) C4'-P energy: -144.030
bonds (distance) P-C4' energy: -146.108
flat angles C4'-P-C4' energy: -142.469
flat angles P-C4'-P energy: -90.235
tors. eta vs tors. theta energy: -162.177
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: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1652.834463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.834463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.834463 (E_RNA)
where:
Base-Base interactions energy: -1066.964
where: short stacking energy: -476.110
Base-Backbone interact. energy: -2.310
local terms energy: -583.560453
where:
bonds (distance) C4'-P energy: -135.781
bonds (distance) P-C4' energy: -126.286
flat angles C4'-P-C4' energy: -137.088
flat angles P-C4'-P energy: -86.199
tors. eta vs tors. theta energy: -98.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1510.702944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.702944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.702944 (E_RNA)
where:
Base-Base interactions energy: -945.990
where: short stacking energy: -406.435
Base-Backbone interact. energy: 0.135
local terms energy: -564.848236
where:
bonds (distance) C4'-P energy: -134.404
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -126.027
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -78.760
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: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -988.416705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.416705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.416705 (E_RNA)
where:
Base-Base interactions energy: -508.730
where: short stacking energy: -272.050
Base-Backbone interact. energy: 5.100
local terms energy: -484.787381
where:
bonds (distance) C4'-P energy: -139.579
bonds (distance) P-C4' energy: -142.421
flat angles C4'-P-C4' energy: -96.366
flat angles P-C4'-P energy: -83.623
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -882.137256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.137256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.137256 (E_RNA)
where:
Base-Base interactions energy: -437.823
where: short stacking energy: -233.403
Base-Backbone interact. energy: 3.191
local terms energy: -447.505346
where:
bonds (distance) C4'-P energy: -133.156
bonds (distance) P-C4' energy: -123.936
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -73.578
tors. eta vs tors. theta energy: -7.911
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: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2839.458795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.458795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.458795 (E_RNA)
where:
Base-Base interactions energy: -1990.072
where: short stacking energy: -759.685
Base-Backbone interact. energy: 2.221
local terms energy: -851.607458
where:
bonds (distance) C4'-P energy: -160.029
bonds (distance) P-C4' energy: -171.104
flat angles C4'-P-C4' energy: -189.548
flat angles P-C4'-P energy: -113.476
tors. eta vs tors. theta energy: -217.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2536.525401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.525401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.525401 (E_RNA)
where:
Base-Base interactions energy: -1735.878
where: short stacking energy: -725.521
Base-Backbone interact. energy: -5.072
local terms energy: -795.575395
where:
bonds (distance) C4'-P energy: -154.299
bonds (distance) P-C4' energy: -157.649
flat angles C4'-P-C4' energy: -170.756
flat angles P-C4'-P energy: -109.714
tors. eta vs tors. theta energy: -203.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2498.934390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.934390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.934390 (E_RNA)
where:
Base-Base interactions energy: -1702.642
where: short stacking energy: -715.756
Base-Backbone interact. energy: 1.113
local terms energy: -797.405434
where:
bonds (distance) C4'-P energy: -141.667
bonds (distance) P-C4' energy: -168.789
flat angles C4'-P-C4' energy: -169.270
flat angles P-C4'-P energy: -105.207
tors. eta vs tors. theta energy: -212.472
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: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2376.451947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.451947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.451947 (E_RNA)
where:
Base-Base interactions energy: -1621.785
where: short stacking energy: -690.256
Base-Backbone interact. energy: -1.622
local terms energy: -753.044411
where:
bonds (distance) C4'-P energy: -154.415
bonds (distance) P-C4' energy: -144.539
flat angles C4'-P-C4' energy: -156.127
flat angles P-C4'-P energy: -107.176
tors. eta vs tors. theta energy: -190.787
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: 328
Temperature: 1.100000
Total energy: -2182.165231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.165231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.165231 (E_RNA)
where:
Base-Base interactions energy: -1429.533
where: short stacking energy: -641.953
Base-Backbone interact. energy: -1.415
local terms energy: -751.217465
where:
bonds (distance) C4'-P energy: -149.881
bonds (distance) P-C4' energy: -162.736
flat angles C4'-P-C4' energy: -164.631
flat angles P-C4'-P energy: -93.926
tors. eta vs tors. theta energy: -180.043
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: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2092.232837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.232837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.232837 (E_RNA)
where:
Base-Base interactions energy: -1427.475
where: short stacking energy: -607.773
Base-Backbone interact. energy: -3.195
local terms energy: -661.563010
where:
bonds (distance) C4'-P energy: -132.272
bonds (distance) P-C4' energy: -143.344
flat angles C4'-P-C4' energy: -136.726
flat angles P-C4'-P energy: -82.981
tors. eta vs tors. theta energy: -166.240
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: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1672.932518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.932518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.932518 (E_RNA)
where:
Base-Base interactions energy: -1068.424
where: short stacking energy: -478.892
Base-Backbone interact. energy: -1.003
local terms energy: -603.505801
where:
bonds (distance) C4'-P energy: -122.955
bonds (distance) P-C4' energy: -129.495
flat angles C4'-P-C4' energy: -141.972
flat angles P-C4'-P energy: -110.966
tors. eta vs tors. theta energy: -98.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1499.877439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.877439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.877439 (E_RNA)
where:
Base-Base interactions energy: -945.149
where: short stacking energy: -438.482
Base-Backbone interact. energy: -3.001
local terms energy: -551.728286
where:
bonds (distance) C4'-P energy: -114.956
bonds (distance) P-C4' energy: -146.094
flat angles C4'-P-C4' energy: -131.223
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -97.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1021.683477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.683477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.683477 (E_RNA)
where:
Base-Base interactions energy: -573.033
where: short stacking energy: -297.019
Base-Backbone interact. energy: 5.519
local terms energy: -454.169486
where:
bonds (distance) C4'-P energy: -116.168
bonds (distance) P-C4' energy: -130.758
flat angles C4'-P-C4' energy: -120.809
flat angles P-C4'-P energy: -73.221
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -892.549072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.549072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.549072 (E_RNA)
where:
Base-Base interactions energy: -470.567
where: short stacking energy: -256.770
Base-Backbone interact. energy: -1.283
local terms energy: -421.249026
where:
bonds (distance) C4'-P energy: -135.226
bonds (distance) P-C4' energy: -130.875
flat angles C4'-P-C4' energy: -99.401
flat angles P-C4'-P energy: -64.116
tors. eta vs tors. theta energy: 8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.551 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2862.612621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.612621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.612621 (E_RNA)
where:
Base-Base interactions energy: -2001.386
where: short stacking energy: -777.593
Base-Backbone interact. energy: -0.773
local terms energy: -860.453644
where:
bonds (distance) C4'-P energy: -161.822
bonds (distance) P-C4' energy: -169.626
flat angles C4'-P-C4' energy: -172.916
flat angles P-C4'-P energy: -134.475
tors. eta vs tors. theta energy: -221.616
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: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2626.682462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.682462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.682462 (E_RNA)
where:
Base-Base interactions energy: -1788.877
where: short stacking energy: -736.344
Base-Backbone interact. energy: -5.476
local terms energy: -832.329284
where:
bonds (distance) C4'-P energy: -161.810
bonds (distance) P-C4' energy: -153.601
flat angles C4'-P-C4' energy: -181.040
flat angles P-C4'-P energy: -115.759
tors. eta vs tors. theta energy: -220.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2510.178484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.178484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.178484 (E_RNA)
where:
Base-Base interactions energy: -1689.682
where: short stacking energy: -742.265
Base-Backbone interact. energy: -3.122
local terms energy: -817.374588
where:
bonds (distance) C4'-P energy: -156.414
bonds (distance) P-C4' energy: -156.786
flat angles C4'-P-C4' energy: -166.981
flat angles P-C4'-P energy: -118.893
tors. eta vs tors. theta energy: -218.300
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: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2394.316847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.316847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.316847 (E_RNA)
where:
Base-Base interactions energy: -1618.193
where: short stacking energy: -712.117
Base-Backbone interact. energy: -3.494
local terms energy: -772.629961
where:
bonds (distance) C4'-P energy: -159.325
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -168.603
flat angles P-C4'-P energy: -97.373
tors. eta vs tors. theta energy: -207.187
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: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2193.531217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.531217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.531217 (E_RNA)
where:
Base-Base interactions energy: -1449.548
where: short stacking energy: -649.064
Base-Backbone interact. energy: -0.770
local terms energy: -743.213887
where:
bonds (distance) C4'-P energy: -144.668
bonds (distance) P-C4' energy: -139.950
flat angles C4'-P-C4' energy: -168.510
flat angles P-C4'-P energy: -105.919
tors. eta vs tors. theta energy: -184.167
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: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2084.484395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.484395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.484395 (E_RNA)
where:
Base-Base interactions energy: -1399.852
where: short stacking energy: -563.535
Base-Backbone interact. energy: -2.453
local terms energy: -682.179111
where:
bonds (distance) C4'-P energy: -137.233
bonds (distance) P-C4' energy: -131.621
flat angles C4'-P-C4' energy: -166.280
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -161.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1754.547824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.547824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.547824 (E_RNA)
where:
Base-Base interactions energy: -1164.544
where: short stacking energy: -496.158
Base-Backbone interact. energy: 0.708
local terms energy: -590.711570
where:
bonds (distance) C4'-P energy: -125.261
bonds (distance) P-C4' energy: -137.337
flat angles C4'-P-C4' energy: -138.934
flat angles P-C4'-P energy: -89.269
tors. eta vs tors. theta energy: -99.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1511.351327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.351327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.351327 (E_RNA)
where:
Base-Base interactions energy: -939.710
where: short stacking energy: -401.615
Base-Backbone interact. energy: 0.093
local terms energy: -571.734960
where:
bonds (distance) C4'-P energy: -131.771
bonds (distance) P-C4' energy: -138.195
flat angles C4'-P-C4' energy: -133.433
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -64.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1110.196629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.196629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.196629 (E_RNA)
where:
Base-Base interactions energy: -622.441
where: short stacking energy: -320.008
Base-Backbone interact. energy: -1.051
local terms energy: -486.704771
where:
bonds (distance) C4'-P energy: -90.254
bonds (distance) P-C4' energy: -156.647
flat angles C4'-P-C4' energy: -134.933
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -880.070807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.070807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.070807 (E_RNA)
where:
Base-Base interactions energy: -463.713
where: short stacking energy: -219.981
Base-Backbone interact. energy: -1.716
local terms energy: -416.021994
where:
bonds (distance) C4'-P energy: -118.191
bonds (distance) P-C4' energy: -132.943
flat angles C4'-P-C4' energy: -94.285
flat angles P-C4'-P energy: -64.054
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.380 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2835.117031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.117031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.117031 (E_RNA)
where:
Base-Base interactions energy: -1991.240
where: short stacking energy: -800.914
Base-Backbone interact. energy: 0.420
local terms energy: -844.296930
where:
bonds (distance) C4'-P energy: -149.765
bonds (distance) P-C4' energy: -151.203
flat angles C4'-P-C4' energy: -182.403
flat angles P-C4'-P energy: -124.461
tors. eta vs tors. theta energy: -236.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2623.543238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.543238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.543238 (E_RNA)
where:
Base-Base interactions energy: -1821.319
where: short stacking energy: -735.243
Base-Backbone interact. energy: -2.931
local terms energy: -799.293757
where:
bonds (distance) C4'-P energy: -141.347
bonds (distance) P-C4' energy: -162.129
flat angles C4'-P-C4' energy: -169.790
flat angles P-C4'-P energy: -115.643
tors. eta vs tors. theta energy: -210.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2523.184035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.184035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.184035 (E_RNA)
where:
Base-Base interactions energy: -1712.979
where: short stacking energy: -763.718
Base-Backbone interact. energy: -3.287
local terms energy: -806.917914
where:
bonds (distance) C4'-P energy: -147.805
bonds (distance) P-C4' energy: -159.651
flat angles C4'-P-C4' energy: -174.175
flat angles P-C4'-P energy: -109.684
tors. eta vs tors. theta energy: -215.603
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: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2382.326778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.326778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.326778 (E_RNA)
where:
Base-Base interactions energy: -1583.293
where: short stacking energy: -670.344
Base-Backbone interact. energy: -3.541
local terms energy: -795.492555
where:
bonds (distance) C4'-P energy: -160.185
bonds (distance) P-C4' energy: -149.214
flat angles C4'-P-C4' energy: -170.382
flat angles P-C4'-P energy: -112.893
tors. eta vs tors. theta energy: -202.819
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: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2219.698772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.698772 (E_RNA)
where:
Base-Base interactions energy: -1497.043
where: short stacking energy: -642.997
Base-Backbone interact. energy: 2.126
local terms energy: -724.781527
where:
bonds (distance) C4'-P energy: -142.848
bonds (distance) P-C4' energy: -159.525
flat angles C4'-P-C4' energy: -148.805
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: -183.236
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: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2151.347381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.347381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.347381 (E_RNA)
where:
Base-Base interactions energy: -1415.372
where: short stacking energy: -651.240
Base-Backbone interact. energy: -3.364
local terms energy: -732.612032
where:
bonds (distance) C4'-P energy: -136.106
bonds (distance) P-C4' energy: -152.718
flat angles C4'-P-C4' energy: -159.248
flat angles P-C4'-P energy: -95.898
tors. eta vs tors. theta energy: -188.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1788.965572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.965572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.965572 (E_RNA)
where:
Base-Base interactions energy: -1122.481
where: short stacking energy: -482.665
Base-Backbone interact. energy: -1.276
local terms energy: -665.208754
where:
bonds (distance) C4'-P energy: -155.025
bonds (distance) P-C4' energy: -130.530
flat angles C4'-P-C4' energy: -152.663
flat angles P-C4'-P energy: -108.149
tors. eta vs tors. theta energy: -118.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1543.201374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.201374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.201374 (E_RNA)
where:
Base-Base interactions energy: -984.554
where: short stacking energy: -433.886
Base-Backbone interact. energy: -0.018
local terms energy: -558.629426
where:
bonds (distance) C4'-P energy: -124.829
bonds (distance) P-C4' energy: -122.322
flat angles C4'-P-C4' energy: -130.298
flat angles P-C4'-P energy: -90.811
tors. eta vs tors. theta energy: -90.369
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: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1104.508863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.508863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.508863 (E_RNA)
where:
Base-Base interactions energy: -570.799
where: short stacking energy: -288.800
Base-Backbone interact. energy: -2.566
local terms energy: -531.143919
where:
bonds (distance) C4'-P energy: -123.667
bonds (distance) P-C4' energy: -161.330
flat angles C4'-P-C4' energy: -133.510
flat angles P-C4'-P energy: -85.299
tors. eta vs tors. theta energy: -27.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -859.283226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.283226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.283226 (E_RNA)
where:
Base-Base interactions energy: -430.310
where: short stacking energy: -220.863
Base-Backbone interact. energy: 0.993
local terms energy: -429.967167
where:
bonds (distance) C4'-P energy: -115.439
bonds (distance) P-C4' energy: -150.629
flat angles C4'-P-C4' energy: -113.564
flat angles P-C4'-P energy: -59.536
tors. eta vs tors. theta energy: 9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2852.721883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.721883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.721883 (E_RNA)
where:
Base-Base interactions energy: -2002.611
where: short stacking energy: -816.923
Base-Backbone interact. energy: -0.128
local terms energy: -849.982323
where:
bonds (distance) C4'-P energy: -161.029
bonds (distance) P-C4' energy: -166.936
flat angles C4'-P-C4' energy: -184.794
flat angles P-C4'-P energy: -108.610
tors. eta vs tors. theta energy: -228.614
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: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2625.399956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.399956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.399956 (E_RNA)
where:
Base-Base interactions energy: -1860.833
where: short stacking energy: -722.490
Base-Backbone interact. energy: -2.901
local terms energy: -761.666818
where:
bonds (distance) C4'-P energy: -139.532
bonds (distance) P-C4' energy: -137.710
flat angles C4'-P-C4' energy: -164.056
flat angles P-C4'-P energy: -124.043
tors. eta vs tors. theta energy: -196.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2501.454833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.454833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.454833 (E_RNA)
where:
Base-Base interactions energy: -1690.240
where: short stacking energy: -726.301
Base-Backbone interact. energy: -2.729
local terms energy: -808.486227
where:
bonds (distance) C4'-P energy: -153.049
bonds (distance) P-C4' energy: -157.493
flat angles C4'-P-C4' energy: -182.605
flat angles P-C4'-P energy: -100.357
tors. eta vs tors. theta energy: -214.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2322.594679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.594679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.594679 (E_RNA)
where:
Base-Base interactions energy: -1593.701
where: short stacking energy: -692.907
Base-Backbone interact. energy: 0.634
local terms energy: -729.528455
where:
bonds (distance) C4'-P energy: -132.281
bonds (distance) P-C4' energy: -137.199
flat angles C4'-P-C4' energy: -159.967
flat angles P-C4'-P energy: -104.481
tors. eta vs tors. theta energy: -195.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2236.451865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.451865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.451865 (E_RNA)
where:
Base-Base interactions energy: -1489.279
where: short stacking energy: -648.864
Base-Backbone interact. energy: -0.162
local terms energy: -747.011623
where:
bonds (distance) C4'-P energy: -149.181
bonds (distance) P-C4' energy: -142.131
flat angles C4'-P-C4' energy: -161.782
flat angles P-C4'-P energy: -108.760
tors. eta vs tors. theta energy: -185.157
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: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2166.254547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.254547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.254547 (E_RNA)
where:
Base-Base interactions energy: -1442.605
where: short stacking energy: -641.808
Base-Backbone interact. energy: -3.568
local terms energy: -720.081951
where:
bonds (distance) C4'-P energy: -125.855
bonds (distance) P-C4' energy: -156.261
flat angles C4'-P-C4' energy: -173.584
flat angles P-C4'-P energy: -90.672
tors. eta vs tors. theta energy: -173.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1687.742594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.742594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.742594 (E_RNA)
where:
Base-Base interactions energy: -1056.832
where: short stacking energy: -462.715
Base-Backbone interact. energy: 0.018
local terms energy: -630.928588
where:
bonds (distance) C4'-P energy: -131.789
bonds (distance) P-C4' energy: -154.442
flat angles C4'-P-C4' energy: -151.965
flat angles P-C4'-P energy: -94.454
tors. eta vs tors. theta energy: -98.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1493.905658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.905658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.905658 (E_RNA)
where:
Base-Base interactions energy: -936.561
where: short stacking energy: -404.679
Base-Backbone interact. energy: 2.808
local terms energy: -560.152482
where:
bonds (distance) C4'-P energy: -152.470
bonds (distance) P-C4' energy: -136.479
flat angles C4'-P-C4' energy: -121.369
flat angles P-C4'-P energy: -95.009
tors. eta vs tors. theta energy: -54.825
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1077.582163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.582163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.582163 (E_RNA)
where:
Base-Base interactions energy: -605.122
where: short stacking energy: -307.712
Base-Backbone interact. energy: 3.044
local terms energy: -475.504346
where:
bonds (distance) C4'-P energy: -133.004
bonds (distance) P-C4' energy: -136.238
flat angles C4'-P-C4' energy: -128.132
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -31.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -885.922327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.922327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.922327 (E_RNA)
where:
Base-Base interactions energy: -451.717
where: short stacking energy: -249.650
Base-Backbone interact. energy: 6.123
local terms energy: -440.328465
where:
bonds (distance) C4'-P energy: -112.878
bonds (distance) P-C4' energy: -128.490
flat angles C4'-P-C4' energy: -118.877
flat angles P-C4'-P energy: -59.239
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2843.194549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.194549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.194549 (E_RNA)
where:
Base-Base interactions energy: -1976.417
where: short stacking energy: -775.514
Base-Backbone interact. energy: -4.989
local terms energy: -861.788902
where:
bonds (distance) C4'-P energy: -173.776
bonds (distance) P-C4' energy: -168.764
flat angles C4'-P-C4' energy: -171.750
flat angles P-C4'-P energy: -129.752
tors. eta vs tors. theta energy: -217.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2617.380874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.380874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.380874 (E_RNA)
where:
Base-Base interactions energy: -1809.283
where: short stacking energy: -731.605
Base-Backbone interact. energy: -6.413
local terms energy: -801.684371
where:
bonds (distance) C4'-P energy: -140.355
bonds (distance) P-C4' energy: -158.338
flat angles C4'-P-C4' energy: -165.001
flat angles P-C4'-P energy: -124.748
tors. eta vs tors. theta energy: -213.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2407.396245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.396245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.396245 (E_RNA)
where:
Base-Base interactions energy: -1674.737
where: short stacking energy: -713.664
Base-Backbone interact. energy: -2.140
local terms energy: -730.519435
where:
bonds (distance) C4'-P energy: -139.630
bonds (distance) P-C4' energy: -125.341
flat angles C4'-P-C4' energy: -171.735
flat angles P-C4'-P energy: -98.943
tors. eta vs tors. theta energy: -194.870
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: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2392.747012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.747012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.747012 (E_RNA)
where:
Base-Base interactions energy: -1651.138
where: short stacking energy: -682.498
Base-Backbone interact. energy: -4.826
local terms energy: -736.782893
where:
bonds (distance) C4'-P energy: -146.259
bonds (distance) P-C4' energy: -128.658
flat angles C4'-P-C4' energy: -167.955
flat angles P-C4'-P energy: -99.051
tors. eta vs tors. theta energy: -194.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2230.205550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.205550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.205550 (E_RNA)
where:
Base-Base interactions energy: -1514.038
where: short stacking energy: -656.823
Base-Backbone interact. energy: -0.789
local terms energy: -715.378247
where:
bonds (distance) C4'-P energy: -130.548
bonds (distance) P-C4' energy: -141.633
flat angles C4'-P-C4' energy: -149.901
flat angles P-C4'-P energy: -103.364
tors. eta vs tors. theta energy: -189.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2090.375287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.375287 (E_RNA)
where:
Base-Base interactions energy: -1413.017
where: short stacking energy: -609.584
Base-Backbone interact. energy: -1.208
local terms energy: -676.150891
where:
bonds (distance) C4'-P energy: -126.517
bonds (distance) P-C4' energy: -139.155
flat angles C4'-P-C4' energy: -170.769
flat angles P-C4'-P energy: -90.591
tors. eta vs tors. theta energy: -149.120
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: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1753.245187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.245187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.245187 (E_RNA)
where:
Base-Base interactions energy: -1140.215
where: short stacking energy: -502.853
Base-Backbone interact. energy: -1.943
local terms energy: -611.087367
where:
bonds (distance) C4'-P energy: -133.940
bonds (distance) P-C4' energy: -137.401
flat angles C4'-P-C4' energy: -137.687
flat angles P-C4'-P energy: -88.509
tors. eta vs tors. theta energy: -113.550
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: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1478.926665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.926665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.926665 (E_RNA)
where:
Base-Base interactions energy: -909.086
where: short stacking energy: -407.564
Base-Backbone interact. energy: 0.065
local terms energy: -569.906180
where:
bonds (distance) C4'-P energy: -121.904
bonds (distance) P-C4' energy: -122.695
flat angles C4'-P-C4' energy: -133.778
flat angles P-C4'-P energy: -100.404
tors. eta vs tors. theta energy: -91.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1038.458873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.458873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.458873 (E_RNA)
where:
Base-Base interactions energy: -571.851
where: short stacking energy: -288.586
Base-Backbone interact. energy: 3.832
local terms energy: -470.439784
where:
bonds (distance) C4'-P energy: -116.030
bonds (distance) P-C4' energy: -134.387
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -71.074
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -893.714550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.714550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.714550 (E_RNA)
where:
Base-Base interactions energy: -483.916
where: short stacking energy: -228.327
Base-Backbone interact. energy: -0.731
local terms energy: -409.067490
where:
bonds (distance) C4'-P energy: -127.311
bonds (distance) P-C4' energy: -140.168
flat angles C4'-P-C4' energy: -94.898
flat angles P-C4'-P energy: -68.179
tors. eta vs tors. theta energy: 21.488
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: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2825.809937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.809937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.809937 (E_RNA)
where:
Base-Base interactions energy: -1988.019
where: short stacking energy: -779.008
Base-Backbone interact. energy: 1.447
local terms energy: -839.238139
where:
bonds (distance) C4'-P energy: -170.926
bonds (distance) P-C4' energy: -165.260
flat angles C4'-P-C4' energy: -168.364
flat angles P-C4'-P energy: -129.035
tors. eta vs tors. theta energy: -205.653
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2664.119610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.119610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.119610 (E_RNA)
where:
Base-Base interactions energy: -1870.121
where: short stacking energy: -781.903
Base-Backbone interact. energy: -2.001
local terms energy: -791.998373
where:
bonds (distance) C4'-P energy: -139.819
bonds (distance) P-C4' energy: -151.418
flat angles C4'-P-C4' energy: -176.353
flat angles P-C4'-P energy: -101.873
tors. eta vs tors. theta energy: -222.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2466.603319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.603319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.603319 (E_RNA)
where:
Base-Base interactions energy: -1661.010
where: short stacking energy: -736.564
Base-Backbone interact. energy: 2.855
local terms energy: -808.448435
where:
bonds (distance) C4'-P energy: -165.975
bonds (distance) P-C4' energy: -154.091
flat angles C4'-P-C4' energy: -178.926
flat angles P-C4'-P energy: -104.049
tors. eta vs tors. theta energy: -205.407
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: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2391.181050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.181050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.181050 (E_RNA)
where:
Base-Base interactions energy: -1608.407
where: short stacking energy: -678.522
Base-Backbone interact. energy: -0.956
local terms energy: -781.817596
where:
bonds (distance) C4'-P energy: -152.816
bonds (distance) P-C4' energy: -150.565
flat angles C4'-P-C4' energy: -165.371
flat angles P-C4'-P energy: -116.347
tors. eta vs tors. theta energy: -196.718
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2242.696126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.696126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.696126 (E_RNA)
where:
Base-Base interactions energy: -1501.180
where: short stacking energy: -647.120
Base-Backbone interact. energy: -2.575
local terms energy: -738.941015
where:
bonds (distance) C4'-P energy: -132.867
bonds (distance) P-C4' energy: -150.342
flat angles C4'-P-C4' energy: -157.385
flat angles P-C4'-P energy: -109.330
tors. eta vs tors. theta energy: -189.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2073.247689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.247689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.247689 (E_RNA)
where:
Base-Base interactions energy: -1400.669
where: short stacking energy: -627.203
Base-Backbone interact. energy: -2.237
local terms energy: -670.341907
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -134.696
flat angles C4'-P-C4' energy: -148.446
flat angles P-C4'-P energy: -79.221
tors. eta vs tors. theta energy: -178.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1780.694115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.694115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.694115 (E_RNA)
where:
Base-Base interactions energy: -1146.105
where: short stacking energy: -520.840
Base-Backbone interact. energy: -2.911
local terms energy: -631.678550
where:
bonds (distance) C4'-P energy: -134.325
bonds (distance) P-C4' energy: -128.625
flat angles C4'-P-C4' energy: -148.639
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -122.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1499.753134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.753134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.753134 (E_RNA)
where:
Base-Base interactions energy: -934.485
where: short stacking energy: -404.811
Base-Backbone interact. energy: 6.417
local terms energy: -574.349205
where:
bonds (distance) C4'-P energy: -99.488
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -77.979
tors. eta vs tors. theta energy: -98.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.664 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -957.428507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.428507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.428507 (E_RNA)
where:
Base-Base interactions energy: -512.851
where: short stacking energy: -267.720
Base-Backbone interact. energy: 2.215
local terms energy: -446.792417
where:
bonds (distance) C4'-P energy: -136.294
bonds (distance) P-C4' energy: -135.574
flat angles C4'-P-C4' energy: -102.682
flat angles P-C4'-P energy: -61.137
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -886.807859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.807859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.807859 (E_RNA)
where:
Base-Base interactions energy: -456.363
where: short stacking energy: -229.562
Base-Backbone interact. energy: 4.242
local terms energy: -434.686334
where:
bonds (distance) C4'-P energy: -134.843
bonds (distance) P-C4' energy: -128.274
flat angles C4'-P-C4' energy: -112.327
flat angles P-C4'-P energy: -66.161
tors. eta vs tors. theta energy: 6.920
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: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2840.473566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.473566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.473566 (E_RNA)
where:
Base-Base interactions energy: -2001.025
where: short stacking energy: -794.975
Base-Backbone interact. energy: -3.696
local terms energy: -835.752803
where:
bonds (distance) C4'-P energy: -162.822
bonds (distance) P-C4' energy: -171.898
flat angles C4'-P-C4' energy: -167.686
flat angles P-C4'-P energy: -109.971
tors. eta vs tors. theta energy: -223.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2684.691621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.691621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.691621 (E_RNA)
where:
Base-Base interactions energy: -1868.706
where: short stacking energy: -745.626
Base-Backbone interact. energy: -2.686
local terms energy: -813.299975
where:
bonds (distance) C4'-P energy: -148.049
bonds (distance) P-C4' energy: -164.805
flat angles C4'-P-C4' energy: -177.483
flat angles P-C4'-P energy: -107.218
tors. eta vs tors. theta energy: -215.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2449.635584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.635584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.635584 (E_RNA)
where:
Base-Base interactions energy: -1659.026
where: short stacking energy: -732.091
Base-Backbone interact. energy: 0.613
local terms energy: -791.222559
where:
bonds (distance) C4'-P energy: -149.434
bonds (distance) P-C4' energy: -171.398
flat angles C4'-P-C4' energy: -163.571
flat angles P-C4'-P energy: -101.992
tors. eta vs tors. theta energy: -204.828
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2398.245194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.245194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.245194 (E_RNA)
where:
Base-Base interactions energy: -1654.062
where: short stacking energy: -659.463
Base-Backbone interact. energy: -4.345
local terms energy: -739.838176
where:
bonds (distance) C4'-P energy: -143.882
bonds (distance) P-C4' energy: -140.465
flat angles C4'-P-C4' energy: -166.850
flat angles P-C4'-P energy: -101.017
tors. eta vs tors. theta energy: -187.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2262.885267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.885267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.885267 (E_RNA)
where:
Base-Base interactions energy: -1468.248
where: short stacking energy: -645.482
Base-Backbone interact. energy: -1.309
local terms energy: -793.328139
where:
bonds (distance) C4'-P energy: -162.436
bonds (distance) P-C4' energy: -152.430
flat angles C4'-P-C4' energy: -162.575
flat angles P-C4'-P energy: -109.328
tors. eta vs tors. theta energy: -206.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2102.690627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.690627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.690627 (E_RNA)
where:
Base-Base interactions energy: -1409.334
where: short stacking energy: -611.635
Base-Backbone interact. energy: -5.669
local terms energy: -687.687448
where:
bonds (distance) C4'-P energy: -137.424
bonds (distance) P-C4' energy: -147.193
flat angles C4'-P-C4' energy: -145.834
flat angles P-C4'-P energy: -107.067
tors. eta vs tors. theta energy: -150.170
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: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1780.523076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.523076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.523076 (E_RNA)
where:
Base-Base interactions energy: -1184.082
where: short stacking energy: -515.336
Base-Backbone interact. energy: 1.510
local terms energy: -597.951164
where:
bonds (distance) C4'-P energy: -124.168
bonds (distance) P-C4' energy: -153.907
flat angles C4'-P-C4' energy: -149.997
flat angles P-C4'-P energy: -64.108
tors. eta vs tors. theta energy: -105.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1554.120421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.120421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.120421 (E_RNA)
where:
Base-Base interactions energy: -1006.043
where: short stacking energy: -441.850
Base-Backbone interact. energy: 3.216
local terms energy: -551.293467
where:
bonds (distance) C4'-P energy: -126.493
bonds (distance) P-C4' energy: -131.939
flat angles C4'-P-C4' energy: -143.926
flat angles P-C4'-P energy: -71.826
tors. eta vs tors. theta energy: -77.109
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1100.503362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.503362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.503362 (E_RNA)
where:
Base-Base interactions energy: -598.377
where: short stacking energy: -314.426
Base-Backbone interact. energy: -0.756
local terms energy: -501.370450
where:
bonds (distance) C4'-P energy: -118.763
bonds (distance) P-C4' energy: -139.851
flat angles C4'-P-C4' energy: -130.649
flat angles P-C4'-P energy: -86.447
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -917.241608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.241608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.241608 (E_RNA)
where:
Base-Base interactions energy: -452.160
where: short stacking energy: -234.984
Base-Backbone interact. energy: 6.043
local terms energy: -471.125271
where:
bonds (distance) C4'-P energy: -136.934
bonds (distance) P-C4' energy: -142.301
flat angles C4'-P-C4' energy: -132.716
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2822.493665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.493665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.493665 (E_RNA)
where:
Base-Base interactions energy: -1974.554
where: short stacking energy: -766.629
Base-Backbone interact. energy: -4.754
local terms energy: -843.184777
where:
bonds (distance) C4'-P energy: -146.297
bonds (distance) P-C4' energy: -166.606
flat angles C4'-P-C4' energy: -176.061
flat angles P-C4'-P energy: -128.052
tors. eta vs tors. theta energy: -226.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2693.810444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.810444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.810444 (E_RNA)
where:
Base-Base interactions energy: -1861.473
where: short stacking energy: -749.608
Base-Backbone interact. energy: -1.166
local terms energy: -831.171942
where:
bonds (distance) C4'-P energy: -161.646
bonds (distance) P-C4' energy: -157.535
flat angles C4'-P-C4' energy: -172.668
flat angles P-C4'-P energy: -122.486
tors. eta vs tors. theta energy: -216.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2486.856382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.856382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.856382 (E_RNA)
where:
Base-Base interactions energy: -1658.149
where: short stacking energy: -695.947
Base-Backbone interact. energy: -2.503
local terms energy: -826.204723
where:
bonds (distance) C4'-P energy: -149.751
bonds (distance) P-C4' energy: -164.791
flat angles C4'-P-C4' energy: -169.209
flat angles P-C4'-P energy: -119.140
tors. eta vs tors. theta energy: -223.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2387.166409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.166409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.166409 (E_RNA)
where:
Base-Base interactions energy: -1623.213
where: short stacking energy: -691.931
Base-Backbone interact. energy: 0.723
local terms energy: -764.676237
where:
bonds (distance) C4'-P energy: -152.807
bonds (distance) P-C4' energy: -156.861
flat angles C4'-P-C4' energy: -145.232
flat angles P-C4'-P energy: -112.062
tors. eta vs tors. theta energy: -197.715
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: 335
Temperature: 1.100000
Total energy: -2255.821892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.821892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.821892 (E_RNA)
where:
Base-Base interactions energy: -1515.264
where: short stacking energy: -636.844
Base-Backbone interact. energy: -2.350
local terms energy: -738.208346
where:
bonds (distance) C4'-P energy: -134.109
bonds (distance) P-C4' energy: -154.649
flat angles C4'-P-C4' energy: -141.836
flat angles P-C4'-P energy: -109.341
tors. eta vs tors. theta energy: -198.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2055.836335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.836335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.836335 (E_RNA)
where:
Base-Base interactions energy: -1348.506
where: short stacking energy: -583.590
Base-Backbone interact. energy: 2.817
local terms energy: -710.147288
where:
bonds (distance) C4'-P energy: -133.759
bonds (distance) P-C4' energy: -146.257
flat angles C4'-P-C4' energy: -157.580
flat angles P-C4'-P energy: -119.501
tors. eta vs tors. theta energy: -153.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1729.893988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.893988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.893988 (E_RNA)
where:
Base-Base interactions energy: -1132.707
where: short stacking energy: -498.200
Base-Backbone interact. energy: -7.387
local terms energy: -589.800004
where:
bonds (distance) C4'-P energy: -114.018
bonds (distance) P-C4' energy: -149.866
flat angles C4'-P-C4' energy: -128.503
flat angles P-C4'-P energy: -89.648
tors. eta vs tors. theta energy: -107.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1487.616000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.616000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.616000 (E_RNA)
where:
Base-Base interactions energy: -975.367
where: short stacking energy: -451.879
Base-Backbone interact. energy: 2.045
local terms energy: -514.294609
where:
bonds (distance) C4'-P energy: -103.526
bonds (distance) P-C4' energy: -125.746
flat angles C4'-P-C4' energy: -116.566
flat angles P-C4'-P energy: -84.653
tors. eta vs tors. theta energy: -83.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1083.185877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.185877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.185877 (E_RNA)
where:
Base-Base interactions energy: -603.824
where: short stacking energy: -286.272
Base-Backbone interact. energy: -3.987
local terms energy: -475.374829
where:
bonds (distance) C4'-P energy: -132.888
bonds (distance) P-C4' energy: -127.333
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -817.121041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.121041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.121041 (E_RNA)
where:
Base-Base interactions energy: -402.694
where: short stacking energy: -227.613
Base-Backbone interact. energy: -2.755
local terms energy: -411.672267
where:
bonds (distance) C4'-P energy: -111.426
bonds (distance) P-C4' energy: -136.119
flat angles C4'-P-C4' energy: -89.662
flat angles P-C4'-P energy: -70.570
tors. eta vs tors. theta energy: -3.896
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: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2802.621860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.621860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.621860 (E_RNA)
where:
Base-Base interactions energy: -1989.596
where: short stacking energy: -778.691
Base-Backbone interact. energy: 0.333
local terms energy: -813.358461
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -163.384
flat angles C4'-P-C4' energy: -176.462
flat angles P-C4'-P energy: -119.303
tors. eta vs tors. theta energy: -223.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2702.269083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.269083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.269083 (E_RNA)
where:
Base-Base interactions energy: -1883.807
where: short stacking energy: -753.232
Base-Backbone interact. energy: -4.410
local terms energy: -814.052265
where:
bonds (distance) C4'-P energy: -155.877
bonds (distance) P-C4' energy: -154.276
flat angles C4'-P-C4' energy: -176.736
flat angles P-C4'-P energy: -113.424
tors. eta vs tors. theta energy: -213.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2460.587092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.587092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.587092 (E_RNA)
where:
Base-Base interactions energy: -1658.335
where: short stacking energy: -697.970
Base-Backbone interact. energy: -5.297
local terms energy: -796.955690
where:
bonds (distance) C4'-P energy: -169.379
bonds (distance) P-C4' energy: -146.850
flat angles C4'-P-C4' energy: -172.118
flat angles P-C4'-P energy: -113.612
tors. eta vs tors. theta energy: -194.996
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: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2378.696248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.696248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.696248 (E_RNA)
where:
Base-Base interactions energy: -1596.675
where: short stacking energy: -672.839
Base-Backbone interact. energy: -1.834
local terms energy: -780.187341
where:
bonds (distance) C4'-P energy: -152.137
bonds (distance) P-C4' energy: -152.278
flat angles C4'-P-C4' energy: -173.708
flat angles P-C4'-P energy: -112.973
tors. eta vs tors. theta energy: -189.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2308.384585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.384585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.384585 (E_RNA)
where:
Base-Base interactions energy: -1550.815
where: short stacking energy: -680.177
Base-Backbone interact. energy: -1.497
local terms energy: -756.072370
where:
bonds (distance) C4'-P energy: -144.237
bonds (distance) P-C4' energy: -135.517
flat angles C4'-P-C4' energy: -164.372
flat angles P-C4'-P energy: -105.076
tors. eta vs tors. theta energy: -206.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2049.555908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.555908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.555908 (E_RNA)
where:
Base-Base interactions energy: -1362.070
where: short stacking energy: -543.082
Base-Backbone interact. energy: -0.117
local terms energy: -687.368674
where:
bonds (distance) C4'-P energy: -133.338
bonds (distance) P-C4' energy: -152.674
flat angles C4'-P-C4' energy: -162.454
flat angles P-C4'-P energy: -109.635
tors. eta vs tors. theta energy: -129.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1690.915342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.915342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.915342 (E_RNA)
where:
Base-Base interactions energy: -1097.914
where: short stacking energy: -484.174
Base-Backbone interact. energy: -0.355
local terms energy: -592.646816
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -151.137
flat angles C4'-P-C4' energy: -146.520
flat angles P-C4'-P energy: -81.698
tors. eta vs tors. theta energy: -103.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1403.460518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.460518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.460518 (E_RNA)
where:
Base-Base interactions energy: -847.348
where: short stacking energy: -364.376
Base-Backbone interact. energy: 1.268
local terms energy: -557.380825
where:
bonds (distance) C4'-P energy: -149.062
bonds (distance) P-C4' energy: -136.578
flat angles C4'-P-C4' energy: -119.623
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -67.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1043.736921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.736921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.736921 (E_RNA)
where:
Base-Base interactions energy: -599.577
where: short stacking energy: -281.105
Base-Backbone interact. energy: -0.553
local terms energy: -443.607027
where:
bonds (distance) C4'-P energy: -131.253
bonds (distance) P-C4' energy: -126.925
flat angles C4'-P-C4' energy: -106.283
flat angles P-C4'-P energy: -59.707
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -801.594333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.594333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.594333 (E_RNA)
where:
Base-Base interactions energy: -372.484
where: short stacking energy: -212.501
Base-Backbone interact. energy: -0.310
local terms energy: -428.800300
where:
bonds (distance) C4'-P energy: -119.646
bonds (distance) P-C4' energy: -135.577
flat angles C4'-P-C4' energy: -102.431
flat angles P-C4'-P energy: -62.938
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2817.680944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.680944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.680944 (E_RNA)
where:
Base-Base interactions energy: -1966.447
where: short stacking energy: -790.449
Base-Backbone interact. energy: -6.572
local terms energy: -844.661879
where:
bonds (distance) C4'-P energy: -144.676
bonds (distance) P-C4' energy: -168.605
flat angles C4'-P-C4' energy: -191.093
flat angles P-C4'-P energy: -111.871
tors. eta vs tors. theta energy: -228.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2700.743817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.743817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.743817 (E_RNA)
where:
Base-Base interactions energy: -1874.264
where: short stacking energy: -748.071
Base-Backbone interact. energy: -7.599
local terms energy: -818.880410
where:
bonds (distance) C4'-P energy: -140.545
bonds (distance) P-C4' energy: -176.548
flat angles C4'-P-C4' energy: -172.197
flat angles P-C4'-P energy: -116.542
tors. eta vs tors. theta energy: -213.049
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: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2524.353649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.353649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.353649 (E_RNA)
where:
Base-Base interactions energy: -1692.887
where: short stacking energy: -745.300
Base-Backbone interact. energy: -2.987
local terms energy: -828.479688
where:
bonds (distance) C4'-P energy: -154.540
bonds (distance) P-C4' energy: -146.057
flat angles C4'-P-C4' energy: -177.215
flat angles P-C4'-P energy: -129.490
tors. eta vs tors. theta energy: -221.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2402.562188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.562188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.562188 (E_RNA)
where:
Base-Base interactions energy: -1620.628
where: short stacking energy: -684.470
Base-Backbone interact. energy: 0.377
local terms energy: -782.311022
where:
bonds (distance) C4'-P energy: -153.372
bonds (distance) P-C4' energy: -143.767
flat angles C4'-P-C4' energy: -171.450
flat angles P-C4'-P energy: -115.768
tors. eta vs tors. theta energy: -197.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2363.798807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.798807 (E_RNA)
where:
Base-Base interactions energy: -1582.762
where: short stacking energy: -679.796
Base-Backbone interact. energy: -4.976
local terms energy: -776.061212
where:
bonds (distance) C4'-P energy: -143.065
bonds (distance) P-C4' energy: -146.651
flat angles C4'-P-C4' energy: -162.830
flat angles P-C4'-P energy: -109.039
tors. eta vs tors. theta energy: -214.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2054.889966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.889966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.889966 (E_RNA)
where:
Base-Base interactions energy: -1396.210
where: short stacking energy: -602.467
Base-Backbone interact. energy: -0.637
local terms energy: -658.042639
where:
bonds (distance) C4'-P energy: -116.246
bonds (distance) P-C4' energy: -150.051
flat angles C4'-P-C4' energy: -149.386
flat angles P-C4'-P energy: -84.863
tors. eta vs tors. theta energy: -157.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1733.804905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.804905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.804905 (E_RNA)
where:
Base-Base interactions energy: -1148.990
where: short stacking energy: -516.511
Base-Backbone interact. energy: -2.279
local terms energy: -582.535756
where:
bonds (distance) C4'-P energy: -122.396
bonds (distance) P-C4' energy: -126.701
flat angles C4'-P-C4' energy: -135.465
flat angles P-C4'-P energy: -88.778
tors. eta vs tors. theta energy: -109.196
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: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1362.033932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.033932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.033932 (E_RNA)
where:
Base-Base interactions energy: -815.998
where: short stacking energy: -380.913
Base-Backbone interact. energy: -0.506
local terms energy: -547.878732
where:
bonds (distance) C4'-P energy: -132.097
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -125.485
flat angles P-C4'-P energy: -93.618
tors. eta vs tors. theta energy: -70.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.349 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1054.795293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.795293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.795293 (E_RNA)
where:
Base-Base interactions energy: -564.813
where: short stacking energy: -270.546
Base-Backbone interact. energy: -2.134
local terms energy: -487.848448
where:
bonds (distance) C4'-P energy: -140.642
bonds (distance) P-C4' energy: -144.174
flat angles C4'-P-C4' energy: -128.751
flat angles P-C4'-P energy: -63.649
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -781.066536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.066536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.066536 (E_RNA)
where:
Base-Base interactions energy: -390.401
where: short stacking energy: -206.301
Base-Backbone interact. energy: 10.024
local terms energy: -400.689221
where:
bonds (distance) C4'-P energy: -111.703
bonds (distance) P-C4' energy: -135.207
flat angles C4'-P-C4' energy: -101.672
flat angles P-C4'-P energy: -58.269
tors. eta vs tors. theta energy: 6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2808.819807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.819807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.819807 (E_RNA)
where:
Base-Base interactions energy: -1945.040
where: short stacking energy: -774.143
Base-Backbone interact. energy: -3.348
local terms energy: -860.432390
where:
bonds (distance) C4'-P energy: -165.355
bonds (distance) P-C4' energy: -175.155
flat angles C4'-P-C4' energy: -178.899
flat angles P-C4'-P energy: -120.815
tors. eta vs tors. theta energy: -220.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2681.865481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.865481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.865481 (E_RNA)
where:
Base-Base interactions energy: -1867.008
where: short stacking energy: -756.831
Base-Backbone interact. energy: 2.825
local terms energy: -817.682961
where:
bonds (distance) C4'-P energy: -151.871
bonds (distance) P-C4' energy: -159.221
flat angles C4'-P-C4' energy: -170.560
flat angles P-C4'-P energy: -114.145
tors. eta vs tors. theta energy: -221.887
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2463.063828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.063828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.063828 (E_RNA)
where:
Base-Base interactions energy: -1710.516
where: short stacking energy: -731.680
Base-Backbone interact. energy: -1.187
local terms energy: -751.361481
where:
bonds (distance) C4'-P energy: -123.899
bonds (distance) P-C4' energy: -133.762
flat angles C4'-P-C4' energy: -170.717
flat angles P-C4'-P energy: -115.552
tors. eta vs tors. theta energy: -207.432
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: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2404.295731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.295731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.295731 (E_RNA)
where:
Base-Base interactions energy: -1616.652
where: short stacking energy: -680.067
Base-Backbone interact. energy: -3.212
local terms energy: -784.432125
where:
bonds (distance) C4'-P energy: -152.551
bonds (distance) P-C4' energy: -159.977
flat angles C4'-P-C4' energy: -173.385
flat angles P-C4'-P energy: -101.085
tors. eta vs tors. theta energy: -197.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2297.214455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.214455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.214455 (E_RNA)
where:
Base-Base interactions energy: -1564.013
where: short stacking energy: -661.309
Base-Backbone interact. energy: -5.518
local terms energy: -727.683857
where:
bonds (distance) C4'-P energy: -142.644
bonds (distance) P-C4' energy: -145.454
flat angles C4'-P-C4' energy: -166.045
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -191.450
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: 338
Temperature: 1.150000
Total energy: -2034.673093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.673093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.673093 (E_RNA)
where:
Base-Base interactions energy: -1336.128
where: short stacking energy: -561.528
Base-Backbone interact. energy: 1.134
local terms energy: -699.678641
where:
bonds (distance) C4'-P energy: -138.442
bonds (distance) P-C4' energy: -158.283
flat angles C4'-P-C4' energy: -147.749
flat angles P-C4'-P energy: -108.453
tors. eta vs tors. theta energy: -146.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1722.792867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.792867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.792867 (E_RNA)
where:
Base-Base interactions energy: -1090.809
where: short stacking energy: -505.092
Base-Backbone interact. energy: -2.682
local terms energy: -629.301536
where:
bonds (distance) C4'-P energy: -151.153
bonds (distance) P-C4' energy: -128.129
flat angles C4'-P-C4' energy: -151.927
flat angles P-C4'-P energy: -94.035
tors. eta vs tors. theta energy: -104.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1399.207753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.207753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.207753 (E_RNA)
where:
Base-Base interactions energy: -864.442
where: short stacking energy: -385.705
Base-Backbone interact. energy: -1.120
local terms energy: -533.645657
where:
bonds (distance) C4'-P energy: -119.336
bonds (distance) P-C4' energy: -145.447
flat angles C4'-P-C4' energy: -121.179
flat angles P-C4'-P energy: -84.793
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1071.252242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.252242 (E_RNA)
where:
Base-Base interactions energy: -642.096
where: short stacking energy: -318.010
Base-Backbone interact. energy: -1.023
local terms energy: -428.133646
where:
bonds (distance) C4'-P energy: -115.857
bonds (distance) P-C4' energy: -105.746
flat angles C4'-P-C4' energy: -118.479
flat angles P-C4'-P energy: -60.285
tors. eta vs tors. theta energy: -27.767
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: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -755.056679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.056679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.056679 (E_RNA)
where:
Base-Base interactions energy: -335.958
where: short stacking energy: -185.615
Base-Backbone interact. energy: -1.452
local terms energy: -417.647056
where:
bonds (distance) C4'-P energy: -114.575
bonds (distance) P-C4' energy: -142.847
flat angles C4'-P-C4' energy: -94.249
flat angles P-C4'-P energy: -75.896
tors. eta vs tors. theta energy: 9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2851.920313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.920313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.920313 (E_RNA)
where:
Base-Base interactions energy: -1947.953
where: short stacking energy: -802.879
Base-Backbone interact. energy: -4.596
local terms energy: -899.371275
where:
bonds (distance) C4'-P energy: -172.329
bonds (distance) P-C4' energy: -169.116
flat angles C4'-P-C4' energy: -184.311
flat angles P-C4'-P energy: -142.364
tors. eta vs tors. theta energy: -231.251
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2695.896363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.896363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.896363 (E_RNA)
where:
Base-Base interactions energy: -1883.334
where: short stacking energy: -753.051
Base-Backbone interact. energy: -4.224
local terms energy: -808.338102
where:
bonds (distance) C4'-P energy: -145.918
bonds (distance) P-C4' energy: -148.899
flat angles C4'-P-C4' energy: -180.809
flat angles P-C4'-P energy: -119.371
tors. eta vs tors. theta energy: -213.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2463.312745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.312745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.312745 (E_RNA)
where:
Base-Base interactions energy: -1684.375
where: short stacking energy: -693.234
Base-Backbone interact. energy: -0.982
local terms energy: -777.955755
where:
bonds (distance) C4'-P energy: -142.685
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -166.487
flat angles P-C4'-P energy: -105.908
tors. eta vs tors. theta energy: -204.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2401.855892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.855892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.855892 (E_RNA)
where:
Base-Base interactions energy: -1627.061
where: short stacking energy: -702.640
Base-Backbone interact. energy: 0.214
local terms energy: -775.009425
where:
bonds (distance) C4'-P energy: -127.692
bonds (distance) P-C4' energy: -158.027
flat angles C4'-P-C4' energy: -180.890
flat angles P-C4'-P energy: -107.493
tors. eta vs tors. theta energy: -200.908
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: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2320.962709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.962709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.962709 (E_RNA)
where:
Base-Base interactions energy: -1548.842
where: short stacking energy: -663.622
Base-Backbone interact. energy: -2.899
local terms energy: -769.221533
where:
bonds (distance) C4'-P energy: -157.633
bonds (distance) P-C4' energy: -137.537
flat angles C4'-P-C4' energy: -168.932
flat angles P-C4'-P energy: -113.728
tors. eta vs tors. theta energy: -191.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2058.579464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.579464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.579464 (E_RNA)
where:
Base-Base interactions energy: -1377.540
where: short stacking energy: -600.873
Base-Backbone interact. energy: 0.368
local terms energy: -681.407162
where:
bonds (distance) C4'-P energy: -130.699
bonds (distance) P-C4' energy: -147.424
flat angles C4'-P-C4' energy: -148.071
flat angles P-C4'-P energy: -92.917
tors. eta vs tors. theta energy: -162.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1669.221300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.221300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.221300 (E_RNA)
where:
Base-Base interactions energy: -1061.184
where: short stacking energy: -471.358
Base-Backbone interact. energy: -1.775
local terms energy: -606.262139
where:
bonds (distance) C4'-P energy: -119.905
bonds (distance) P-C4' energy: -150.388
flat angles C4'-P-C4' energy: -138.766
flat angles P-C4'-P energy: -99.681
tors. eta vs tors. theta energy: -97.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1455.668676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.668676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.668676 (E_RNA)
where:
Base-Base interactions energy: -879.454
where: short stacking energy: -405.774
Base-Backbone interact. energy: 0.449
local terms energy: -576.664454
where:
bonds (distance) C4'-P energy: -138.124
bonds (distance) P-C4' energy: -136.710
flat angles C4'-P-C4' energy: -137.480
flat angles P-C4'-P energy: -85.323
tors. eta vs tors. theta energy: -79.028
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: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1098.594875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.594875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.594875 (E_RNA)
where:
Base-Base interactions energy: -596.718
where: short stacking energy: -285.304
Base-Backbone interact. energy: 1.700
local terms energy: -503.576659
where:
bonds (distance) C4'-P energy: -138.251
bonds (distance) P-C4' energy: -131.501
flat angles C4'-P-C4' energy: -139.835
flat angles P-C4'-P energy: -76.824
tors. eta vs tors. theta energy: -17.166
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: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -728.636560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.636560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.636560 (E_RNA)
where:
Base-Base interactions energy: -322.842
where: short stacking energy: -209.603
Base-Backbone interact. energy: 1.844
local terms energy: -407.638481
where:
bonds (distance) C4'-P energy: -105.377
bonds (distance) P-C4' energy: -157.630
flat angles C4'-P-C4' energy: -101.675
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: 11.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2822.313381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.313381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.313381 (E_RNA)
where:
Base-Base interactions energy: -1950.420
where: short stacking energy: -808.442
Base-Backbone interact. energy: -0.795
local terms energy: -871.098170
where:
bonds (distance) C4'-P energy: -156.874
bonds (distance) P-C4' energy: -172.287
flat angles C4'-P-C4' energy: -185.548
flat angles P-C4'-P energy: -121.682
tors. eta vs tors. theta energy: -234.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2658.940973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.940973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.940973 (E_RNA)
where:
Base-Base interactions energy: -1840.992
where: short stacking energy: -750.497
Base-Backbone interact. energy: -5.228
local terms energy: -812.721619
where:
bonds (distance) C4'-P energy: -155.450
bonds (distance) P-C4' energy: -148.840
flat angles C4'-P-C4' energy: -190.165
flat angles P-C4'-P energy: -117.047
tors. eta vs tors. theta energy: -201.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2484.684823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.684823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.684823 (E_RNA)
where:
Base-Base interactions energy: -1695.621
where: short stacking energy: -731.518
Base-Backbone interact. energy: 1.692
local terms energy: -790.755745
where:
bonds (distance) C4'-P energy: -129.180
bonds (distance) P-C4' energy: -163.252
flat angles C4'-P-C4' energy: -176.582
flat angles P-C4'-P energy: -109.199
tors. eta vs tors. theta energy: -212.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2396.740105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.740105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.740105 (E_RNA)
where:
Base-Base interactions energy: -1622.500
where: short stacking energy: -683.981
Base-Backbone interact. energy: 7.078
local terms energy: -781.318317
where:
bonds (distance) C4'-P energy: -158.787
bonds (distance) P-C4' energy: -143.584
flat angles C4'-P-C4' energy: -170.923
flat angles P-C4'-P energy: -108.365
tors. eta vs tors. theta energy: -199.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2309.873567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.873567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.873567 (E_RNA)
where:
Base-Base interactions energy: -1565.545
where: short stacking energy: -671.516
Base-Backbone interact. energy: 1.000
local terms energy: -745.327690
where:
bonds (distance) C4'-P energy: -128.045
bonds (distance) P-C4' energy: -148.509
flat angles C4'-P-C4' energy: -169.091
flat angles P-C4'-P energy: -106.512
tors. eta vs tors. theta energy: -193.170
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2104.809819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.809819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.809819 (E_RNA)
where:
Base-Base interactions energy: -1393.781
where: short stacking energy: -595.647
Base-Backbone interact. energy: 0.199
local terms energy: -711.227526
where:
bonds (distance) C4'-P energy: -146.424
bonds (distance) P-C4' energy: -151.039
flat angles C4'-P-C4' energy: -154.943
flat angles P-C4'-P energy: -84.328
tors. eta vs tors. theta energy: -174.494
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1663.286946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.286946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.286946 (E_RNA)
where:
Base-Base interactions energy: -1043.896
where: short stacking energy: -456.610
Base-Backbone interact. energy: 0.021
local terms energy: -619.412071
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -145.414
flat angles C4'-P-C4' energy: -150.858
flat angles P-C4'-P energy: -101.440
tors. eta vs tors. theta energy: -101.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1489.167891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.167891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.167891 (E_RNA)
where:
Base-Base interactions energy: -894.166
where: short stacking energy: -417.784
Base-Backbone interact. energy: 0.421
local terms energy: -595.422728
where:
bonds (distance) C4'-P energy: -130.541
bonds (distance) P-C4' energy: -150.555
flat angles C4'-P-C4' energy: -143.952
flat angles P-C4'-P energy: -89.867
tors. eta vs tors. theta energy: -80.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1129.831243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.831243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.831243 (E_RNA)
where:
Base-Base interactions energy: -645.704
where: short stacking energy: -354.591
Base-Backbone interact. energy: -4.074
local terms energy: -480.053200
where:
bonds (distance) C4'-P energy: -123.710
bonds (distance) P-C4' energy: -113.772
flat angles C4'-P-C4' energy: -119.376
flat angles P-C4'-P energy: -83.348
tors. eta vs tors. theta energy: -39.847
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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -723.771827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.771827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.771827 (E_RNA)
where:
Base-Base interactions energy: -299.283
where: short stacking energy: -196.135
Base-Backbone interact. energy: 5.701
local terms energy: -430.190494
where:
bonds (distance) C4'-P energy: -116.734
bonds (distance) P-C4' energy: -142.931
flat angles C4'-P-C4' energy: -129.217
flat angles P-C4'-P energy: -73.568
tors. eta vs tors. theta energy: 32.260
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: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2834.503615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.503615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.503615 (E_RNA)
where:
Base-Base interactions energy: -1957.408
where: short stacking energy: -795.273
Base-Backbone interact. energy: -6.256
local terms energy: -870.840192
where:
bonds (distance) C4'-P energy: -162.224
bonds (distance) P-C4' energy: -167.400
flat angles C4'-P-C4' energy: -179.488
flat angles P-C4'-P energy: -127.021
tors. eta vs tors. theta energy: -234.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2675.833160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.833160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.833160 (E_RNA)
where:
Base-Base interactions energy: -1838.550
where: short stacking energy: -751.964
Base-Backbone interact. energy: -6.816
local terms energy: -830.467340
where:
bonds (distance) C4'-P energy: -158.183
bonds (distance) P-C4' energy: -167.811
flat angles C4'-P-C4' energy: -179.652
flat angles P-C4'-P energy: -113.934
tors. eta vs tors. theta energy: -210.886
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: 341
Temperature: 1.000000
Total energy: -2465.999444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.999444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.999444 (E_RNA)
where:
Base-Base interactions energy: -1689.486
where: short stacking energy: -732.328
Base-Backbone interact. energy: -0.014
local terms energy: -776.499762
where:
bonds (distance) C4'-P energy: -138.056
bonds (distance) P-C4' energy: -143.502
flat angles C4'-P-C4' energy: -175.185
flat angles P-C4'-P energy: -109.089
tors. eta vs tors. theta energy: -210.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2334.732387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.732387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.732387 (E_RNA)
where:
Base-Base interactions energy: -1567.942
where: short stacking energy: -651.719
Base-Backbone interact. energy: -3.700
local terms energy: -763.090214
where:
bonds (distance) C4'-P energy: -151.423
bonds (distance) P-C4' energy: -142.995
flat angles C4'-P-C4' energy: -173.754
flat angles P-C4'-P energy: -111.851
tors. eta vs tors. theta energy: -183.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2292.278380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.278380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.278380 (E_RNA)
where:
Base-Base interactions energy: -1533.085
where: short stacking energy: -667.771
Base-Backbone interact. energy: -4.012
local terms energy: -755.181950
where:
bonds (distance) C4'-P energy: -134.000
bonds (distance) P-C4' energy: -146.945
flat angles C4'-P-C4' energy: -167.953
flat angles P-C4'-P energy: -102.293
tors. eta vs tors. theta energy: -203.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2138.181817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.181817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.181817 (E_RNA)
where:
Base-Base interactions energy: -1435.141
where: short stacking energy: -615.923
Base-Backbone interact. energy: -0.632
local terms energy: -702.408421
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -147.769
flat angles C4'-P-C4' energy: -159.094
flat angles P-C4'-P energy: -91.166
tors. eta vs tors. theta energy: -173.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1753.619891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.619891 (E_RNA)
where:
Base-Base interactions energy: -1111.270
where: short stacking energy: -472.958
Base-Backbone interact. energy: -1.844
local terms energy: -640.506354
where:
bonds (distance) C4'-P energy: -128.794
bonds (distance) P-C4' energy: -157.109
flat angles C4'-P-C4' energy: -151.285
flat angles P-C4'-P energy: -94.299
tors. eta vs tors. theta energy: -109.019
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: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1510.000257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.000257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.000257 (E_RNA)
where:
Base-Base interactions energy: -951.211
where: short stacking energy: -436.607
Base-Backbone interact. energy: -1.504
local terms energy: -557.285514
where:
bonds (distance) C4'-P energy: -143.470
bonds (distance) P-C4' energy: -117.975
flat angles C4'-P-C4' energy: -132.038
flat angles P-C4'-P energy: -87.013
tors. eta vs tors. theta energy: -76.790
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1123.753025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.753025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.753025 (E_RNA)
where:
Base-Base interactions energy: -659.744
where: short stacking energy: -327.198
Base-Backbone interact. energy: -0.332
local terms energy: -463.677037
where:
bonds (distance) C4'-P energy: -117.735
bonds (distance) P-C4' energy: -127.560
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -85.140
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -695.214540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.214540 (E_RNA)
where:
Base-Base interactions energy: -303.403
where: short stacking energy: -177.423
Base-Backbone interact. energy: 2.443
local terms energy: -394.254239
where:
bonds (distance) C4'-P energy: -120.910
bonds (distance) P-C4' energy: -142.957
flat angles C4'-P-C4' energy: -116.208
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: 33.584
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: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2838.492763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.492763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.492763 (E_RNA)
where:
Base-Base interactions energy: -1974.514
where: short stacking energy: -803.209
Base-Backbone interact. energy: -6.313
local terms energy: -857.665486
where:
bonds (distance) C4'-P energy: -163.793
bonds (distance) P-C4' energy: -175.791
flat angles C4'-P-C4' energy: -176.379
flat angles P-C4'-P energy: -101.005
tors. eta vs tors. theta energy: -240.698
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2664.931996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.931996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.931996 (E_RNA)
where:
Base-Base interactions energy: -1837.690
where: short stacking energy: -741.622
Base-Backbone interact. energy: 2.573
local terms energy: -829.815222
where:
bonds (distance) C4'-P energy: -161.752
bonds (distance) P-C4' energy: -168.653
flat angles C4'-P-C4' energy: -175.335
flat angles P-C4'-P energy: -124.343
tors. eta vs tors. theta energy: -199.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2502.288217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.288217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.288217 (E_RNA)
where:
Base-Base interactions energy: -1686.656
where: short stacking energy: -725.580
Base-Backbone interact. energy: -3.050
local terms energy: -812.581854
where:
bonds (distance) C4'-P energy: -139.603
bonds (distance) P-C4' energy: -159.714
flat angles C4'-P-C4' energy: -181.642
flat angles P-C4'-P energy: -120.209
tors. eta vs tors. theta energy: -211.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2350.980517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.980517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.980517 (E_RNA)
where:
Base-Base interactions energy: -1597.688
where: short stacking energy: -670.953
Base-Backbone interact. energy: -1.635
local terms energy: -751.657213
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -151.022
flat angles C4'-P-C4' energy: -154.617
flat angles P-C4'-P energy: -118.082
tors. eta vs tors. theta energy: -191.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2240.301280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.301280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.301280 (E_RNA)
where:
Base-Base interactions energy: -1487.501
where: short stacking energy: -635.587
Base-Backbone interact. energy: -4.249
local terms energy: -748.551204
where:
bonds (distance) C4'-P energy: -132.385
bonds (distance) P-C4' energy: -144.170
flat angles C4'-P-C4' energy: -163.201
flat angles P-C4'-P energy: -114.475
tors. eta vs tors. theta energy: -194.321
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2052.818052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.818052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.818052 (E_RNA)
where:
Base-Base interactions energy: -1358.221
where: short stacking energy: -578.236
Base-Backbone interact. energy: 0.433
local terms energy: -695.030313
where:
bonds (distance) C4'-P energy: -145.573
bonds (distance) P-C4' energy: -152.742
flat angles C4'-P-C4' energy: -150.297
flat angles P-C4'-P energy: -91.090
tors. eta vs tors. theta energy: -155.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1776.148359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.148359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.148359 (E_RNA)
where:
Base-Base interactions energy: -1145.351
where: short stacking energy: -512.972
Base-Backbone interact. energy: 3.501
local terms energy: -634.299116
where:
bonds (distance) C4'-P energy: -153.877
bonds (distance) P-C4' energy: -131.726
flat angles C4'-P-C4' energy: -146.494
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -113.391
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: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1480.759421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.759421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.759421 (E_RNA)
where:
Base-Base interactions energy: -907.428
where: short stacking energy: -426.987
Base-Backbone interact. energy: -2.812
local terms energy: -570.519538
where:
bonds (distance) C4'-P energy: -127.959
bonds (distance) P-C4' energy: -149.641
flat angles C4'-P-C4' energy: -117.891
flat angles P-C4'-P energy: -91.864
tors. eta vs tors. theta energy: -83.165
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1070.644446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.644446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.644446 (E_RNA)
where:
Base-Base interactions energy: -608.427
where: short stacking energy: -285.490
Base-Backbone interact. energy: 3.424
local terms energy: -465.641479
where:
bonds (distance) C4'-P energy: -114.907
bonds (distance) P-C4' energy: -134.734
flat angles C4'-P-C4' energy: -130.746
flat angles P-C4'-P energy: -62.719
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -731.772066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.772066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.772066 (E_RNA)
where:
Base-Base interactions energy: -299.164
where: short stacking energy: -188.717
Base-Backbone interact. energy: -0.800
local terms energy: -431.808906
where:
bonds (distance) C4'-P energy: -111.456
bonds (distance) P-C4' energy: -135.651
flat angles C4'-P-C4' energy: -123.298
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: 21.118
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: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2813.599961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.599961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.599961 (E_RNA)
where:
Base-Base interactions energy: -1979.839
where: short stacking energy: -775.159
Base-Backbone interact. energy: -3.356
local terms energy: -830.405493
where:
bonds (distance) C4'-P energy: -154.589
bonds (distance) P-C4' energy: -163.819
flat angles C4'-P-C4' energy: -179.508
flat angles P-C4'-P energy: -110.365
tors. eta vs tors. theta energy: -222.126
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2658.497389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.497389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.497389 (E_RNA)
where:
Base-Base interactions energy: -1835.711
where: short stacking energy: -735.028
Base-Backbone interact. energy: -6.174
local terms energy: -816.612768
where:
bonds (distance) C4'-P energy: -161.545
bonds (distance) P-C4' energy: -163.972
flat angles C4'-P-C4' energy: -168.330
flat angles P-C4'-P energy: -117.319
tors. eta vs tors. theta energy: -205.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2486.744131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.744131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.744131 (E_RNA)
where:
Base-Base interactions energy: -1683.855
where: short stacking energy: -732.384
Base-Backbone interact. energy: -1.665
local terms energy: -801.224248
where:
bonds (distance) C4'-P energy: -148.158
bonds (distance) P-C4' energy: -166.104
flat angles C4'-P-C4' energy: -175.724
flat angles P-C4'-P energy: -109.665
tors. eta vs tors. theta energy: -201.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2414.173280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.173280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.173280 (E_RNA)
where:
Base-Base interactions energy: -1639.240
where: short stacking energy: -697.094
Base-Backbone interact. energy: -4.845
local terms energy: -770.087613
where:
bonds (distance) C4'-P energy: -144.886
bonds (distance) P-C4' energy: -151.896
flat angles C4'-P-C4' energy: -172.087
flat angles P-C4'-P energy: -116.027
tors. eta vs tors. theta energy: -185.192
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: 343
Temperature: 1.100000
Total energy: -2255.778215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.778215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.778215 (E_RNA)
where:
Base-Base interactions energy: -1469.202
where: short stacking energy: -664.376
Base-Backbone interact. energy: -5.177
local terms energy: -781.398453
where:
bonds (distance) C4'-P energy: -153.043
bonds (distance) P-C4' energy: -157.467
flat angles C4'-P-C4' energy: -181.823
flat angles P-C4'-P energy: -105.870
tors. eta vs tors. theta energy: -183.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2049.468248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.468248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.468248 (E_RNA)
where:
Base-Base interactions energy: -1367.734
where: short stacking energy: -610.964
Base-Backbone interact. energy: -3.241
local terms energy: -678.493094
where:
bonds (distance) C4'-P energy: -127.838
bonds (distance) P-C4' energy: -133.749
flat angles C4'-P-C4' energy: -162.150
flat angles P-C4'-P energy: -102.187
tors. eta vs tors. theta energy: -152.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1767.270599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.270599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.270599 (E_RNA)
where:
Base-Base interactions energy: -1137.338
where: short stacking energy: -520.569
Base-Backbone interact. energy: 0.324
local terms energy: -630.257109
where:
bonds (distance) C4'-P energy: -142.227
bonds (distance) P-C4' energy: -128.806
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -92.020
tors. eta vs tors. theta energy: -121.995
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1431.977787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.977787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.977787 (E_RNA)
where:
Base-Base interactions energy: -865.349
where: short stacking energy: -389.223
Base-Backbone interact. energy: 5.472
local terms energy: -572.100522
where:
bonds (distance) C4'-P energy: -136.133
bonds (distance) P-C4' energy: -137.370
flat angles C4'-P-C4' energy: -147.467
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -77.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1136.891977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.891977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.891977 (E_RNA)
where:
Base-Base interactions energy: -649.652
where: short stacking energy: -297.712
Base-Backbone interact. energy: -1.610
local terms energy: -485.629588
where:
bonds (distance) C4'-P energy: -136.208
bonds (distance) P-C4' energy: -149.951
flat angles C4'-P-C4' energy: -116.438
flat angles P-C4'-P energy: -53.108
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: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -751.305417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.305417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.305417 (E_RNA)
where:
Base-Base interactions energy: -320.827
where: short stacking energy: -192.120
Base-Backbone interact. energy: -0.873
local terms energy: -429.604944
where:
bonds (distance) C4'-P energy: -135.305
bonds (distance) P-C4' energy: -121.546
flat angles C4'-P-C4' energy: -118.036
flat angles P-C4'-P energy: -70.068
tors. eta vs tors. theta energy: 15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2813.313882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.313882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.313882 (E_RNA)
where:
Base-Base interactions energy: -1973.501
where: short stacking energy: -805.455
Base-Backbone interact. energy: 1.840
local terms energy: -841.653457
where:
bonds (distance) C4'-P energy: -150.315
bonds (distance) P-C4' energy: -174.759
flat angles C4'-P-C4' energy: -178.647
flat angles P-C4'-P energy: -121.329
tors. eta vs tors. theta energy: -216.605
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2674.604901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.604901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.604901 (E_RNA)
where:
Base-Base interactions energy: -1877.246
where: short stacking energy: -740.307
Base-Backbone interact. energy: -5.610
local terms energy: -791.749492
where:
bonds (distance) C4'-P energy: -147.546
bonds (distance) P-C4' energy: -166.140
flat angles C4'-P-C4' energy: -167.733
flat angles P-C4'-P energy: -112.021
tors. eta vs tors. theta energy: -198.310
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: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2452.449440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.449440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.449440 (E_RNA)
where:
Base-Base interactions energy: -1675.682
where: short stacking energy: -712.996
Base-Backbone interact. energy: -2.741
local terms energy: -774.026506
where:
bonds (distance) C4'-P energy: -138.928
bonds (distance) P-C4' energy: -156.893
flat angles C4'-P-C4' energy: -165.215
flat angles P-C4'-P energy: -107.378
tors. eta vs tors. theta energy: -205.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2371.393591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.393591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.393591 (E_RNA)
where:
Base-Base interactions energy: -1595.140
where: short stacking energy: -686.919
Base-Backbone interact. energy: -1.027
local terms energy: -775.226478
where:
bonds (distance) C4'-P energy: -151.291
bonds (distance) P-C4' energy: -148.236
flat angles C4'-P-C4' energy: -162.355
flat angles P-C4'-P energy: -113.524
tors. eta vs tors. theta energy: -199.820
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: 344
Temperature: 1.100000
Total energy: -2232.012772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.012772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.012772 (E_RNA)
where:
Base-Base interactions energy: -1495.581
where: short stacking energy: -669.862
Base-Backbone interact. energy: -1.318
local terms energy: -735.114717
where:
bonds (distance) C4'-P energy: -124.235
bonds (distance) P-C4' energy: -145.110
flat angles C4'-P-C4' energy: -165.753
flat angles P-C4'-P energy: -110.321
tors. eta vs tors. theta energy: -189.695
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2103.334709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.334709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.334709 (E_RNA)
where:
Base-Base interactions energy: -1393.793
where: short stacking energy: -598.287
Base-Backbone interact. energy: -0.732
local terms energy: -708.809586
where:
bonds (distance) C4'-P energy: -147.943
bonds (distance) P-C4' energy: -147.939
flat angles C4'-P-C4' energy: -151.222
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -166.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1727.838897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.838897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.838897 (E_RNA)
where:
Base-Base interactions energy: -1113.944
where: short stacking energy: -499.204
Base-Backbone interact. energy: 3.430
local terms energy: -617.324626
where:
bonds (distance) C4'-P energy: -134.670
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -139.526
flat angles P-C4'-P energy: -90.248
tors. eta vs tors. theta energy: -108.894
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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1441.805735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.805735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.805735 (E_RNA)
where:
Base-Base interactions energy: -892.484
where: short stacking energy: -375.057
Base-Backbone interact. energy: -4.240
local terms energy: -545.080986
where:
bonds (distance) C4'-P energy: -141.246
bonds (distance) P-C4' energy: -138.416
flat angles C4'-P-C4' energy: -144.264
flat angles P-C4'-P energy: -61.404
tors. eta vs tors. theta energy: -59.750
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: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1130.247864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.247864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.247864 (E_RNA)
where:
Base-Base interactions energy: -652.408
where: short stacking energy: -324.926
Base-Backbone interact. energy: 7.131
local terms energy: -484.970163
where:
bonds (distance) C4'-P energy: -132.681
bonds (distance) P-C4' energy: -128.737
flat angles C4'-P-C4' energy: -112.480
flat angles P-C4'-P energy: -68.496
tors. eta vs tors. theta energy: -42.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -770.373247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.373247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.373247 (E_RNA)
where:
Base-Base interactions energy: -390.254
where: short stacking energy: -223.931
Base-Backbone interact. energy: 4.567
local terms energy: -384.686666
where:
bonds (distance) C4'-P energy: -104.873
bonds (distance) P-C4' energy: -112.380
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -68.807
tors. eta vs tors. theta energy: 9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2832.787817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.787817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.787817 (E_RNA)
where:
Base-Base interactions energy: -1947.890
where: short stacking energy: -791.690
Base-Backbone interact. energy: -5.576
local terms energy: -879.321379
where:
bonds (distance) C4'-P energy: -159.271
bonds (distance) P-C4' energy: -181.567
flat angles C4'-P-C4' energy: -180.044
flat angles P-C4'-P energy: -133.462
tors. eta vs tors. theta energy: -224.978
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: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2656.373943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.373943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.373943 (E_RNA)
where:
Base-Base interactions energy: -1881.308
where: short stacking energy: -743.593
Base-Backbone interact. energy: -3.896
local terms energy: -771.169502
where:
bonds (distance) C4'-P energy: -158.022
bonds (distance) P-C4' energy: -149.666
flat angles C4'-P-C4' energy: -163.848
flat angles P-C4'-P energy: -105.529
tors. eta vs tors. theta energy: -194.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2504.466954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.466954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.466954 (E_RNA)
where:
Base-Base interactions energy: -1711.296
where: short stacking energy: -717.755
Base-Backbone interact. energy: 0.705
local terms energy: -793.876035
where:
bonds (distance) C4'-P energy: -137.883
bonds (distance) P-C4' energy: -148.846
flat angles C4'-P-C4' energy: -164.329
flat angles P-C4'-P energy: -128.662
tors. eta vs tors. theta energy: -214.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2368.923671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.923671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.923671 (E_RNA)
where:
Base-Base interactions energy: -1609.010
where: short stacking energy: -683.422
Base-Backbone interact. energy: -2.873
local terms energy: -757.040883
where:
bonds (distance) C4'-P energy: -138.559
bonds (distance) P-C4' energy: -154.307
flat angles C4'-P-C4' energy: -166.321
flat angles P-C4'-P energy: -110.762
tors. eta vs tors. theta energy: -187.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2203.482996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.482996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.482996 (E_RNA)
where:
Base-Base interactions energy: -1460.407
where: short stacking energy: -653.438
Base-Backbone interact. energy: -1.577
local terms energy: -741.498573
where:
bonds (distance) C4'-P energy: -159.367
bonds (distance) P-C4' energy: -130.300
flat angles C4'-P-C4' energy: -157.546
flat angles P-C4'-P energy: -99.208
tors. eta vs tors. theta energy: -195.078
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2106.146103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.146103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.146103 (E_RNA)
where:
Base-Base interactions energy: -1381.049
where: short stacking energy: -613.629
Base-Backbone interact. energy: -2.298
local terms energy: -722.799669
where:
bonds (distance) C4'-P energy: -145.855
bonds (distance) P-C4' energy: -149.629
flat angles C4'-P-C4' energy: -143.978
flat angles P-C4'-P energy: -96.270
tors. eta vs tors. theta energy: -187.068
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: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1776.968101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.968101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.968101 (E_RNA)
where:
Base-Base interactions energy: -1137.590
where: short stacking energy: -495.971
Base-Backbone interact. energy: -0.600
local terms energy: -638.777993
where:
bonds (distance) C4'-P energy: -118.998
bonds (distance) P-C4' energy: -151.520
flat angles C4'-P-C4' energy: -154.796
flat angles P-C4'-P energy: -83.825
tors. eta vs tors. theta energy: -129.639
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1414.369940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.369940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.369940 (E_RNA)
where:
Base-Base interactions energy: -875.705
where: short stacking energy: -409.927
Base-Backbone interact. energy: 0.061
local terms energy: -539.615871
where:
bonds (distance) C4'-P energy: -144.167
bonds (distance) P-C4' energy: -130.890
flat angles C4'-P-C4' energy: -126.606
flat angles P-C4'-P energy: -77.417
tors. eta vs tors. theta energy: -60.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.889 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1218.433348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.433348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.433348 (E_RNA)
where:
Base-Base interactions energy: -742.503
where: short stacking energy: -346.377
Base-Backbone interact. energy: 0.451
local terms energy: -476.381125
where:
bonds (distance) C4'-P energy: -117.996
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -57.146
tors. eta vs tors. theta energy: -59.325
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: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -772.741421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.741421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.741421 (E_RNA)
where:
Base-Base interactions energy: -331.654
where: short stacking energy: -211.923
Base-Backbone interact. energy: 0.345
local terms energy: -441.431797
where:
bonds (distance) C4'-P energy: -134.236
bonds (distance) P-C4' energy: -133.723
flat angles C4'-P-C4' energy: -122.192
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: 10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2836.954972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.954972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.954972 (E_RNA)
where:
Base-Base interactions energy: -1974.334
where: short stacking energy: -806.711
Base-Backbone interact. energy: -0.818
local terms energy: -861.802595
where:
bonds (distance) C4'-P energy: -170.436
bonds (distance) P-C4' energy: -160.801
flat angles C4'-P-C4' energy: -179.833
flat angles P-C4'-P energy: -113.430
tors. eta vs tors. theta energy: -237.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2655.874477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.874477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.874477 (E_RNA)
where:
Base-Base interactions energy: -1833.306
where: short stacking energy: -735.069
Base-Backbone interact. energy: -3.592
local terms energy: -818.977164
where:
bonds (distance) C4'-P energy: -156.795
bonds (distance) P-C4' energy: -162.674
flat angles C4'-P-C4' energy: -172.782
flat angles P-C4'-P energy: -125.627
tors. eta vs tors. theta energy: -201.099
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: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2477.081254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.081254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.081254 (E_RNA)
where:
Base-Base interactions energy: -1653.023
where: short stacking energy: -711.240
Base-Backbone interact. energy: 0.011
local terms energy: -824.069188
where:
bonds (distance) C4'-P energy: -154.399
bonds (distance) P-C4' energy: -178.008
flat angles C4'-P-C4' energy: -179.460
flat angles P-C4'-P energy: -109.026
tors. eta vs tors. theta energy: -203.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2424.235984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.235984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.235984 (E_RNA)
where:
Base-Base interactions energy: -1617.179
where: short stacking energy: -682.304
Base-Backbone interact. energy: -2.706
local terms energy: -804.350687
where:
bonds (distance) C4'-P energy: -151.652
bonds (distance) P-C4' energy: -172.720
flat angles C4'-P-C4' energy: -190.068
flat angles P-C4'-P energy: -101.540
tors. eta vs tors. theta energy: -188.370
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: 346
Temperature: 1.100000
Total energy: -2208.662543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.662543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.662543 (E_RNA)
where:
Base-Base interactions energy: -1458.238
where: short stacking energy: -636.434
Base-Backbone interact. energy: -0.699
local terms energy: -749.725410
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -146.851
flat angles C4'-P-C4' energy: -168.521
flat angles P-C4'-P energy: -116.229
tors. eta vs tors. theta energy: -181.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2090.948378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.948378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.948378 (E_RNA)
where:
Base-Base interactions energy: -1394.168
where: short stacking energy: -603.054
Base-Backbone interact. energy: -1.444
local terms energy: -695.336680
where:
bonds (distance) C4'-P energy: -132.838
bonds (distance) P-C4' energy: -150.317
flat angles C4'-P-C4' energy: -151.322
flat angles P-C4'-P energy: -96.975
tors. eta vs tors. theta energy: -163.885
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: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1798.035394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.035394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.035394 (E_RNA)
where:
Base-Base interactions energy: -1165.977
where: short stacking energy: -520.705
Base-Backbone interact. energy: -0.555
local terms energy: -631.502746
where:
bonds (distance) C4'-P energy: -126.691
bonds (distance) P-C4' energy: -143.439
flat angles C4'-P-C4' energy: -129.484
flat angles P-C4'-P energy: -100.515
tors. eta vs tors. theta energy: -131.373
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1390.446667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.446667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.446667 (E_RNA)
where:
Base-Base interactions energy: -822.717
where: short stacking energy: -374.845
Base-Backbone interact. energy: -1.438
local terms energy: -566.292356
where:
bonds (distance) C4'-P energy: -139.745
bonds (distance) P-C4' energy: -139.579
flat angles C4'-P-C4' energy: -128.738
flat angles P-C4'-P energy: -87.086
tors. eta vs tors. theta energy: -71.144
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: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1183.274514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.274514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.274514 (E_RNA)
where:
Base-Base interactions energy: -684.386
where: short stacking energy: -321.362
Base-Backbone interact. energy: -0.267
local terms energy: -498.621544
where:
bonds (distance) C4'-P energy: -117.613
bonds (distance) P-C4' energy: -133.862
flat angles C4'-P-C4' energy: -130.689
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -57.109
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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -770.591135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.591135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.591135 (E_RNA)
where:
Base-Base interactions energy: -321.092
where: short stacking energy: -185.900
Base-Backbone interact. energy: -2.153
local terms energy: -447.346477
where:
bonds (distance) C4'-P energy: -130.740
bonds (distance) P-C4' energy: -132.332
flat angles C4'-P-C4' energy: -127.896
flat angles P-C4'-P energy: -79.693
tors. eta vs tors. theta energy: 23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2827.488255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.488255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.488255 (E_RNA)
where:
Base-Base interactions energy: -1973.989
where: short stacking energy: -788.136
Base-Backbone interact. energy: -4.576
local terms energy: -848.923067
where:
bonds (distance) C4'-P energy: -159.268
bonds (distance) P-C4' energy: -153.735
flat angles C4'-P-C4' energy: -194.307
flat angles P-C4'-P energy: -113.084
tors. eta vs tors. theta energy: -228.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2686.652667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.652667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.652667 (E_RNA)
where:
Base-Base interactions energy: -1874.032
where: short stacking energy: -749.029
Base-Backbone interact. energy: -6.395
local terms energy: -806.225043
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -171.130
flat angles C4'-P-C4' energy: -174.562
flat angles P-C4'-P energy: -108.371
tors. eta vs tors. theta energy: -211.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2469.684210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.684210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.684210 (E_RNA)
where:
Base-Base interactions energy: -1665.895
where: short stacking energy: -729.406
Base-Backbone interact. energy: -1.808
local terms energy: -801.981497
where:
bonds (distance) C4'-P energy: -151.297
bonds (distance) P-C4' energy: -166.614
flat angles C4'-P-C4' energy: -169.207
flat angles P-C4'-P energy: -110.250
tors. eta vs tors. theta energy: -204.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2438.325656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.325656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.325656 (E_RNA)
where:
Base-Base interactions energy: -1658.516
where: short stacking energy: -703.709
Base-Backbone interact. energy: -0.158
local terms energy: -779.651551
where:
bonds (distance) C4'-P energy: -158.900
bonds (distance) P-C4' energy: -145.896
flat angles C4'-P-C4' energy: -167.961
flat angles P-C4'-P energy: -103.906
tors. eta vs tors. theta energy: -202.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2210.681154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.681154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.681154 (E_RNA)
where:
Base-Base interactions energy: -1446.005
where: short stacking energy: -661.072
Base-Backbone interact. energy: 0.046
local terms energy: -764.722291
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -140.793
flat angles C4'-P-C4' energy: -169.381
flat angles P-C4'-P energy: -108.426
tors. eta vs tors. theta energy: -202.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2069.141760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.141760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.141760 (E_RNA)
where:
Base-Base interactions energy: -1387.417
where: short stacking energy: -601.450
Base-Backbone interact. energy: -1.428
local terms energy: -680.296900
where:
bonds (distance) C4'-P energy: -136.433
bonds (distance) P-C4' energy: -134.743
flat angles C4'-P-C4' energy: -156.183
flat angles P-C4'-P energy: -94.154
tors. eta vs tors. theta energy: -158.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1866.082595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.082595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.082595 (E_RNA)
where:
Base-Base interactions energy: -1227.245
where: short stacking energy: -523.650
Base-Backbone interact. energy: -1.959
local terms energy: -636.878650
where:
bonds (distance) C4'-P energy: -130.419
bonds (distance) P-C4' energy: -145.865
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -83.117
tors. eta vs tors. theta energy: -121.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1383.213058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.213058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.213058 (E_RNA)
where:
Base-Base interactions energy: -831.877
where: short stacking energy: -398.686
Base-Backbone interact. energy: -5.662
local terms energy: -545.674174
where:
bonds (distance) C4'-P energy: -145.053
bonds (distance) P-C4' energy: -113.961
flat angles C4'-P-C4' energy: -135.264
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -71.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1276.415587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.415587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.415587 (E_RNA)
where:
Base-Base interactions energy: -776.616
where: short stacking energy: -345.503
Base-Backbone interact. energy: 1.888
local terms energy: -501.687429
where:
bonds (distance) C4'-P energy: -124.395
bonds (distance) P-C4' energy: -136.777
flat angles C4'-P-C4' energy: -132.637
flat angles P-C4'-P energy: -60.949
tors. eta vs tors. theta energy: -46.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -797.224145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.224145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.224145 (E_RNA)
where:
Base-Base interactions energy: -362.544
where: short stacking energy: -216.496
Base-Backbone interact. energy: 0.540
local terms energy: -435.219646
where:
bonds (distance) C4'-P energy: -126.727
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -106.051
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: 10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2833.792442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.792442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.792442 (E_RNA)
where:
Base-Base interactions energy: -1993.791
where: short stacking energy: -805.858
Base-Backbone interact. energy: -0.154
local terms energy: -839.847451
where:
bonds (distance) C4'-P energy: -149.137
bonds (distance) P-C4' energy: -152.939
flat angles C4'-P-C4' energy: -185.186
flat angles P-C4'-P energy: -120.482
tors. eta vs tors. theta energy: -232.103
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2673.386199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.386199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.386199 (E_RNA)
where:
Base-Base interactions energy: -1865.543
where: short stacking energy: -747.731
Base-Backbone interact. energy: -2.562
local terms energy: -805.281683
where:
bonds (distance) C4'-P energy: -154.224
bonds (distance) P-C4' energy: -164.864
flat angles C4'-P-C4' energy: -167.104
flat angles P-C4'-P energy: -114.230
tors. eta vs tors. theta energy: -204.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2430.856144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.856144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.856144 (E_RNA)
where:
Base-Base interactions energy: -1674.854
where: short stacking energy: -690.378
Base-Backbone interact. energy: 1.343
local terms energy: -757.345680
where:
bonds (distance) C4'-P energy: -139.037
bonds (distance) P-C4' energy: -141.988
flat angles C4'-P-C4' energy: -166.469
flat angles P-C4'-P energy: -100.778
tors. eta vs tors. theta energy: -209.074
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: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2376.982991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.982991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.982991 (E_RNA)
where:
Base-Base interactions energy: -1615.010
where: short stacking energy: -714.504
Base-Backbone interact. energy: -3.912
local terms energy: -758.061519
where:
bonds (distance) C4'-P energy: -145.819
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -171.545
flat angles P-C4'-P energy: -101.300
tors. eta vs tors. theta energy: -191.783
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2228.113470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.113470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.113470 (E_RNA)
where:
Base-Base interactions energy: -1485.238
where: short stacking energy: -690.190
Base-Backbone interact. energy: -1.320
local terms energy: -741.555242
where:
bonds (distance) C4'-P energy: -131.876
bonds (distance) P-C4' energy: -141.009
flat angles C4'-P-C4' energy: -162.796
flat angles P-C4'-P energy: -96.268
tors. eta vs tors. theta energy: -209.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2153.496806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.496806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.496806 (E_RNA)
where:
Base-Base interactions energy: -1427.569
where: short stacking energy: -613.681
Base-Backbone interact. energy: -0.685
local terms energy: -725.242076
where:
bonds (distance) C4'-P energy: -121.286
bonds (distance) P-C4' energy: -157.901
flat angles C4'-P-C4' energy: -171.485
flat angles P-C4'-P energy: -94.753
tors. eta vs tors. theta energy: -179.818
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1736.609724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.609724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.609724 (E_RNA)
where:
Base-Base interactions energy: -1123.745
where: short stacking energy: -498.909
Base-Backbone interact. energy: 2.739
local terms energy: -615.604159
where:
bonds (distance) C4'-P energy: -129.669
bonds (distance) P-C4' energy: -148.143
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -101.002
tors. eta vs tors. theta energy: -104.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1350.379340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.379340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.379340 (E_RNA)
where:
Base-Base interactions energy: -797.001
where: short stacking energy: -380.973
Base-Backbone interact. energy: -2.658
local terms energy: -550.719423
where:
bonds (distance) C4'-P energy: -122.067
bonds (distance) P-C4' energy: -121.621
flat angles C4'-P-C4' energy: -127.223
flat angles P-C4'-P energy: -109.068
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1207.678764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.678764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.678764 (E_RNA)
where:
Base-Base interactions energy: -688.535
where: short stacking energy: -331.330
Base-Backbone interact. energy: 2.850
local terms energy: -521.994095
where:
bonds (distance) C4'-P energy: -135.652
bonds (distance) P-C4' energy: -145.831
flat angles C4'-P-C4' energy: -128.914
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -41.923
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: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -826.585213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.585213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.585213 (E_RNA)
where:
Base-Base interactions energy: -402.181
where: short stacking energy: -239.773
Base-Backbone interact. energy: 0.074
local terms energy: -424.478383
where:
bonds (distance) C4'-P energy: -115.751
bonds (distance) P-C4' energy: -143.849
flat angles C4'-P-C4' energy: -106.634
flat angles P-C4'-P energy: -64.380
tors. eta vs tors. theta energy: 6.135
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: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2808.280394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.280394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.280394 (E_RNA)
where:
Base-Base interactions energy: -1989.728
where: short stacking energy: -789.939
Base-Backbone interact. energy: -0.902
local terms energy: -817.650289
where:
bonds (distance) C4'-P energy: -140.033
bonds (distance) P-C4' energy: -155.771
flat angles C4'-P-C4' energy: -184.235
flat angles P-C4'-P energy: -115.045
tors. eta vs tors. theta energy: -222.566
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: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2671.671136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.671136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.671136 (E_RNA)
where:
Base-Base interactions energy: -1872.760
where: short stacking energy: -755.728
Base-Backbone interact. energy: -2.887
local terms energy: -796.023726
where:
bonds (distance) C4'-P energy: -143.255
bonds (distance) P-C4' energy: -147.973
flat angles C4'-P-C4' energy: -164.434
flat angles P-C4'-P energy: -130.440
tors. eta vs tors. theta energy: -209.923
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: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2506.035498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.035498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.035498 (E_RNA)
where:
Base-Base interactions energy: -1688.175
where: short stacking energy: -706.360
Base-Backbone interact. energy: 1.190
local terms energy: -819.050921
where:
bonds (distance) C4'-P energy: -167.784
bonds (distance) P-C4' energy: -156.825
flat angles C4'-P-C4' energy: -186.770
flat angles P-C4'-P energy: -114.028
tors. eta vs tors. theta energy: -193.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2373.730108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.730108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.730108 (E_RNA)
where:
Base-Base interactions energy: -1586.538
where: short stacking energy: -679.106
Base-Backbone interact. energy: 0.600
local terms energy: -787.791755
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -156.661
flat angles C4'-P-C4' energy: -177.303
flat angles P-C4'-P energy: -113.179
tors. eta vs tors. theta energy: -206.524
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: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2199.275705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.275705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.275705 (E_RNA)
where:
Base-Base interactions energy: -1435.873
where: short stacking energy: -639.170
Base-Backbone interact. energy: -1.561
local terms energy: -761.841116
where:
bonds (distance) C4'-P energy: -157.209
bonds (distance) P-C4' energy: -145.611
flat angles C4'-P-C4' energy: -162.425
flat angles P-C4'-P energy: -102.571
tors. eta vs tors. theta energy: -194.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2146.100058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.100058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.100058 (E_RNA)
where:
Base-Base interactions energy: -1397.774
where: short stacking energy: -611.139
Base-Backbone interact. energy: 0.652
local terms energy: -748.977991
where:
bonds (distance) C4'-P energy: -150.054
bonds (distance) P-C4' energy: -146.067
flat angles C4'-P-C4' energy: -154.680
flat angles P-C4'-P energy: -130.644
tors. eta vs tors. theta energy: -167.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1688.168785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.168785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.168785 (E_RNA)
where:
Base-Base interactions energy: -1070.854
where: short stacking energy: -478.991
Base-Backbone interact. energy: 5.146
local terms energy: -622.460647
where:
bonds (distance) C4'-P energy: -147.346
bonds (distance) P-C4' energy: -132.472
flat angles C4'-P-C4' energy: -139.158
flat angles P-C4'-P energy: -83.723
tors. eta vs tors. theta energy: -119.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1465.794326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.794326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.794326 (E_RNA)
where:
Base-Base interactions energy: -902.237
where: short stacking energy: -402.131
Base-Backbone interact. energy: 4.538
local terms energy: -568.095385
where:
bonds (distance) C4'-P energy: -132.354
bonds (distance) P-C4' energy: -150.576
flat angles C4'-P-C4' energy: -131.407
flat angles P-C4'-P energy: -80.073
tors. eta vs tors. theta energy: -73.685
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: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1188.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.270249 (E_RNA)
where:
Base-Base interactions energy: -692.370
where: short stacking energy: -308.168
Base-Backbone interact. energy: -0.403
local terms energy: -495.497239
where:
bonds (distance) C4'-P energy: -132.119
bonds (distance) P-C4' energy: -139.383
flat angles C4'-P-C4' energy: -115.753
flat angles P-C4'-P energy: -76.436
tors. eta vs tors. theta energy: -31.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -940.295098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.295098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.295098 (E_RNA)
where:
Base-Base interactions energy: -519.562
where: short stacking energy: -257.514
Base-Backbone interact. energy: -2.481
local terms energy: -418.252053
where:
bonds (distance) C4'-P energy: -134.455
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -110.234
flat angles P-C4'-P energy: -55.115
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2825.400604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.400604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.400604 (E_RNA)
where:
Base-Base interactions energy: -1982.636
where: short stacking energy: -784.900
Base-Backbone interact. energy: -2.533
local terms energy: -840.231646
where:
bonds (distance) C4'-P energy: -163.050
bonds (distance) P-C4' energy: -167.715
flat angles C4'-P-C4' energy: -169.411
flat angles P-C4'-P energy: -112.655
tors. eta vs tors. theta energy: -227.400
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2712.956043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.956043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.956043 (E_RNA)
where:
Base-Base interactions energy: -1913.294
where: short stacking energy: -752.686
Base-Backbone interact. energy: 0.258
local terms energy: -799.920104
where:
bonds (distance) C4'-P energy: -158.320
bonds (distance) P-C4' energy: -144.876
flat angles C4'-P-C4' energy: -169.870
flat angles P-C4'-P energy: -109.765
tors. eta vs tors. theta energy: -217.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2462.474938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.474938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.474938 (E_RNA)
where:
Base-Base interactions energy: -1655.284
where: short stacking energy: -724.979
Base-Backbone interact. energy: -1.826
local terms energy: -805.365169
where:
bonds (distance) C4'-P energy: -155.333
bonds (distance) P-C4' energy: -143.853
flat angles C4'-P-C4' energy: -175.864
flat angles P-C4'-P energy: -115.357
tors. eta vs tors. theta energy: -214.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2388.303863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.303863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.303863 (E_RNA)
where:
Base-Base interactions energy: -1624.923
where: short stacking energy: -674.873
Base-Backbone interact. energy: -4.183
local terms energy: -759.198266
where:
bonds (distance) C4'-P energy: -136.173
bonds (distance) P-C4' energy: -167.222
flat angles C4'-P-C4' energy: -149.074
flat angles P-C4'-P energy: -108.328
tors. eta vs tors. theta energy: -198.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2217.230026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.230026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.230026 (E_RNA)
where:
Base-Base interactions energy: -1462.780
where: short stacking energy: -654.153
Base-Backbone interact. energy: -1.051
local terms energy: -753.399075
where:
bonds (distance) C4'-P energy: -137.956
bonds (distance) P-C4' energy: -159.032
flat angles C4'-P-C4' energy: -157.389
flat angles P-C4'-P energy: -100.758
tors. eta vs tors. theta energy: -198.265
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: 350
Temperature: 1.150000
Total energy: -2139.127266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.127266 (E_RNA)
where:
Base-Base interactions energy: -1427.290
where: short stacking energy: -623.424
Base-Backbone interact. energy: -2.307
local terms energy: -709.530486
where:
bonds (distance) C4'-P energy: -163.948
bonds (distance) P-C4' energy: -146.638
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -88.929
tors. eta vs tors. theta energy: -165.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1710.042782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.042782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.042782 (E_RNA)
where:
Base-Base interactions energy: -1117.977
where: short stacking energy: -487.489
Base-Backbone interact. energy: -1.487
local terms energy: -590.578488
where:
bonds (distance) C4'-P energy: -117.993
bonds (distance) P-C4' energy: -133.563
flat angles C4'-P-C4' energy: -140.796
flat angles P-C4'-P energy: -86.528
tors. eta vs tors. theta energy: -111.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1507.510170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.510170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.510170 (E_RNA)
where:
Base-Base interactions energy: -958.593
where: short stacking energy: -456.954
Base-Backbone interact. energy: -0.182
local terms energy: -548.735569
where:
bonds (distance) C4'-P energy: -114.006
bonds (distance) P-C4' energy: -135.527
flat angles C4'-P-C4' energy: -138.983
flat angles P-C4'-P energy: -76.268
tors. eta vs tors. theta energy: -83.952
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: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1295.159308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.159308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.159308 (E_RNA)
where:
Base-Base interactions energy: -775.355
where: short stacking energy: -378.311
Base-Backbone interact. energy: -3.441
local terms energy: -516.363833
where:
bonds (distance) C4'-P energy: -128.515
bonds (distance) P-C4' energy: -159.642
flat angles C4'-P-C4' energy: -117.102
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -46.438
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: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -931.097568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.097568 (E_RNA)
where:
Base-Base interactions energy: -494.121
where: short stacking energy: -219.977
Base-Backbone interact. energy: 11.840
local terms energy: -448.816115
where:
bonds (distance) C4'-P energy: -127.144
bonds (distance) P-C4' energy: -138.832
flat angles C4'-P-C4' energy: -105.988
flat angles P-C4'-P energy: -91.069
tors. eta vs tors. theta energy: 14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2834.600956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.600956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.600956 (E_RNA)
where:
Base-Base interactions energy: -1981.165
where: short stacking energy: -769.811
Base-Backbone interact. energy: -4.761
local terms energy: -848.675225
where:
bonds (distance) C4'-P energy: -155.934
bonds (distance) P-C4' energy: -170.258
flat angles C4'-P-C4' energy: -183.651
flat angles P-C4'-P energy: -114.385
tors. eta vs tors. theta energy: -224.447
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: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2663.946260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.946260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.946260 (E_RNA)
where:
Base-Base interactions energy: -1865.594
where: short stacking energy: -740.741
Base-Backbone interact. energy: -1.221
local terms energy: -797.131510
where:
bonds (distance) C4'-P energy: -147.720
bonds (distance) P-C4' energy: -165.971
flat angles C4'-P-C4' energy: -172.847
flat angles P-C4'-P energy: -100.784
tors. eta vs tors. theta energy: -209.810
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: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2484.823694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.823694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.823694 (E_RNA)
where:
Base-Base interactions energy: -1688.506
where: short stacking energy: -715.460
Base-Backbone interact. energy: -3.688
local terms energy: -792.629374
where:
bonds (distance) C4'-P energy: -149.431
bonds (distance) P-C4' energy: -151.981
flat angles C4'-P-C4' energy: -169.990
flat angles P-C4'-P energy: -109.319
tors. eta vs tors. theta energy: -211.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2393.587300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.587300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.587300 (E_RNA)
where:
Base-Base interactions energy: -1616.406
where: short stacking energy: -719.465
Base-Backbone interact. energy: -2.357
local terms energy: -774.824581
where:
bonds (distance) C4'-P energy: -141.755
bonds (distance) P-C4' energy: -136.554
flat angles C4'-P-C4' energy: -168.995
flat angles P-C4'-P energy: -119.803
tors. eta vs tors. theta energy: -207.718
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: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2214.419354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.419354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.419354 (E_RNA)
where:
Base-Base interactions energy: -1479.751
where: short stacking energy: -672.194
Base-Backbone interact. energy: -0.175
local terms energy: -734.493819
where:
bonds (distance) C4'-P energy: -133.134
bonds (distance) P-C4' energy: -151.263
flat angles C4'-P-C4' energy: -167.528
flat angles P-C4'-P energy: -103.100
tors. eta vs tors. theta energy: -179.469
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2082.405875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.405875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.405875 (E_RNA)
where:
Base-Base interactions energy: -1408.098
where: short stacking energy: -635.587
Base-Backbone interact. energy: -2.142
local terms energy: -672.165294
where:
bonds (distance) C4'-P energy: -137.719
bonds (distance) P-C4' energy: -115.453
flat angles C4'-P-C4' energy: -147.562
flat angles P-C4'-P energy: -98.497
tors. eta vs tors. theta energy: -172.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1778.819963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.819963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.819963 (E_RNA)
where:
Base-Base interactions energy: -1145.118
where: short stacking energy: -493.941
Base-Backbone interact. energy: -0.954
local terms energy: -632.748119
where:
bonds (distance) C4'-P energy: -116.926
bonds (distance) P-C4' energy: -149.889
flat angles C4'-P-C4' energy: -144.433
flat angles P-C4'-P energy: -101.350
tors. eta vs tors. theta energy: -120.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1606.820471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.820471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.820471 (E_RNA)
where:
Base-Base interactions energy: -1008.345
where: short stacking energy: -439.098
Base-Backbone interact. energy: -1.057
local terms energy: -597.419014
where:
bonds (distance) C4'-P energy: -150.108
bonds (distance) P-C4' energy: -139.207
flat angles C4'-P-C4' energy: -122.020
flat angles P-C4'-P energy: -90.675
tors. eta vs tors. theta energy: -95.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1254.218417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.218417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.218417 (E_RNA)
where:
Base-Base interactions energy: -738.777
where: short stacking energy: -342.686
Base-Backbone interact. energy: -1.579
local terms energy: -513.862665
where:
bonds (distance) C4'-P energy: -135.149
bonds (distance) P-C4' energy: -146.045
flat angles C4'-P-C4' energy: -132.002
flat angles P-C4'-P energy: -66.243
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: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -864.179340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.179340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.179340 (E_RNA)
where:
Base-Base interactions energy: -440.814
where: short stacking energy: -213.664
Base-Backbone interact. energy: 1.943
local terms energy: -425.308160
where:
bonds (distance) C4'-P energy: -132.091
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -115.455
flat angles P-C4'-P energy: -64.270
tors. eta vs tors. theta energy: 15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2852.840662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.840662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.840662 (E_RNA)
where:
Base-Base interactions energy: -1995.384
where: short stacking energy: -796.090
Base-Backbone interact. energy: 0.803
local terms energy: -858.260285
where:
bonds (distance) C4'-P energy: -162.004
bonds (distance) P-C4' energy: -159.143
flat angles C4'-P-C4' energy: -192.700
flat angles P-C4'-P energy: -117.564
tors. eta vs tors. theta energy: -226.849
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: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2686.428607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.428607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.428607 (E_RNA)
where:
Base-Base interactions energy: -1887.015
where: short stacking energy: -761.139
Base-Backbone interact. energy: -3.068
local terms energy: -796.345532
where:
bonds (distance) C4'-P energy: -157.427
bonds (distance) P-C4' energy: -153.068
flat angles C4'-P-C4' energy: -175.399
flat angles P-C4'-P energy: -104.845
tors. eta vs tors. theta energy: -205.606
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: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2461.290116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.290116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.290116 (E_RNA)
where:
Base-Base interactions energy: -1655.709
where: short stacking energy: -732.045
Base-Backbone interact. energy: -6.746
local terms energy: -798.834737
where:
bonds (distance) C4'-P energy: -150.171
bonds (distance) P-C4' energy: -148.684
flat angles C4'-P-C4' energy: -177.228
flat angles P-C4'-P energy: -110.730
tors. eta vs tors. theta energy: -212.021
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: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2423.587128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.587128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.587128 (E_RNA)
where:
Base-Base interactions energy: -1650.849
where: short stacking energy: -710.362
Base-Backbone interact. energy: 0.021
local terms energy: -772.758959
where:
bonds (distance) C4'-P energy: -142.283
bonds (distance) P-C4' energy: -155.731
flat angles C4'-P-C4' energy: -162.128
flat angles P-C4'-P energy: -113.544
tors. eta vs tors. theta energy: -199.074
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: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2232.436911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.436911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.436911 (E_RNA)
where:
Base-Base interactions energy: -1468.064
where: short stacking energy: -660.400
Base-Backbone interact. energy: -1.133
local terms energy: -763.240474
where:
bonds (distance) C4'-P energy: -146.498
bonds (distance) P-C4' energy: -157.582
flat angles C4'-P-C4' energy: -162.085
flat angles P-C4'-P energy: -101.704
tors. eta vs tors. theta energy: -195.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2066.305929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.305929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.305929 (E_RNA)
where:
Base-Base interactions energy: -1388.468
where: short stacking energy: -585.583
Base-Backbone interact. energy: -3.878
local terms energy: -673.959863
where:
bonds (distance) C4'-P energy: -136.093
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -148.722
flat angles P-C4'-P energy: -108.402
tors. eta vs tors. theta energy: -152.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1824.755357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.755357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.755357 (E_RNA)
where:
Base-Base interactions energy: -1182.113
where: short stacking energy: -529.162
Base-Backbone interact. energy: 8.802
local terms energy: -651.444380
where:
bonds (distance) C4'-P energy: -136.285
bonds (distance) P-C4' energy: -142.685
flat angles C4'-P-C4' energy: -163.398
flat angles P-C4'-P energy: -82.348
tors. eta vs tors. theta energy: -126.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1550.723897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.723897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.723897 (E_RNA)
where:
Base-Base interactions energy: -984.810
where: short stacking energy: -445.234
Base-Backbone interact. energy: -3.244
local terms energy: -562.669588
where:
bonds (distance) C4'-P energy: -123.624
bonds (distance) P-C4' energy: -147.260
flat angles C4'-P-C4' energy: -131.948
flat angles P-C4'-P energy: -80.705
tors. eta vs tors. theta energy: -79.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1248.578451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.578451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.578451 (E_RNA)
where:
Base-Base interactions energy: -760.268
where: short stacking energy: -358.690
Base-Backbone interact. energy: 1.942
local terms energy: -490.251885
where:
bonds (distance) C4'-P energy: -121.908
bonds (distance) P-C4' energy: -129.620
flat angles C4'-P-C4' energy: -109.856
flat angles P-C4'-P energy: -83.332
tors. eta vs tors. theta energy: -45.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -888.340422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.340422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.340422 (E_RNA)
where:
Base-Base interactions energy: -429.320
where: short stacking energy: -256.182
Base-Backbone interact. energy: 2.158
local terms energy: -461.178695
where:
bonds (distance) C4'-P energy: -129.372
bonds (distance) P-C4' energy: -127.506
flat angles C4'-P-C4' energy: -124.025
flat angles P-C4'-P energy: -74.851
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2841.723349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.723349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.723349 (E_RNA)
where:
Base-Base interactions energy: -2011.031
where: short stacking energy: -787.269
Base-Backbone interact. energy: -2.840
local terms energy: -827.852158
where:
bonds (distance) C4'-P energy: -155.083
bonds (distance) P-C4' energy: -147.793
flat angles C4'-P-C4' energy: -184.051
flat angles P-C4'-P energy: -112.612
tors. eta vs tors. theta energy: -228.313
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: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2651.725948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.725948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.725948 (E_RNA)
where:
Base-Base interactions energy: -1832.671
where: short stacking energy: -743.385
Base-Backbone interact. energy: -2.144
local terms energy: -816.910354
where:
bonds (distance) C4'-P energy: -155.108
bonds (distance) P-C4' energy: -151.483
flat angles C4'-P-C4' energy: -176.588
flat angles P-C4'-P energy: -132.438
tors. eta vs tors. theta energy: -201.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2466.896098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.896098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.896098 (E_RNA)
where:
Base-Base interactions energy: -1677.564
where: short stacking energy: -739.034
Base-Backbone interact. energy: -0.363
local terms energy: -788.969241
where:
bonds (distance) C4'-P energy: -153.583
bonds (distance) P-C4' energy: -155.146
flat angles C4'-P-C4' energy: -167.217
flat angles P-C4'-P energy: -105.552
tors. eta vs tors. theta energy: -207.472
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: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2441.121890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.121890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.121890 (E_RNA)
where:
Base-Base interactions energy: -1660.384
where: short stacking energy: -706.740
Base-Backbone interact. energy: 0.843
local terms energy: -781.580874
where:
bonds (distance) C4'-P energy: -149.694
bonds (distance) P-C4' energy: -139.453
flat angles C4'-P-C4' energy: -163.504
flat angles P-C4'-P energy: -120.435
tors. eta vs tors. theta energy: -208.496
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: 353
Temperature: 1.100000
Total energy: -2247.988018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.988018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.988018 (E_RNA)
where:
Base-Base interactions energy: -1496.227
where: short stacking energy: -639.628
Base-Backbone interact. energy: 0.242
local terms energy: -752.003122
where:
bonds (distance) C4'-P energy: -136.076
bonds (distance) P-C4' energy: -141.850
flat angles C4'-P-C4' energy: -168.492
flat angles P-C4'-P energy: -110.376
tors. eta vs tors. theta energy: -195.210
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: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2048.460782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.460782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.460782 (E_RNA)
where:
Base-Base interactions energy: -1350.841
where: short stacking energy: -579.194
Base-Backbone interact. energy: -0.177
local terms energy: -697.442375
where:
bonds (distance) C4'-P energy: -152.175
bonds (distance) P-C4' energy: -143.151
flat angles C4'-P-C4' energy: -168.740
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -145.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1854.397150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.397150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.397150 (E_RNA)
where:
Base-Base interactions energy: -1209.669
where: short stacking energy: -528.435
Base-Backbone interact. energy: 3.231
local terms energy: -647.959442
where:
bonds (distance) C4'-P energy: -145.442
bonds (distance) P-C4' energy: -143.307
flat angles C4'-P-C4' energy: -145.711
flat angles P-C4'-P energy: -79.153
tors. eta vs tors. theta energy: -134.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1569.926396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.926396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.926396 (E_RNA)
where:
Base-Base interactions energy: -1019.806
where: short stacking energy: -445.287
Base-Backbone interact. energy: -1.001
local terms energy: -549.119969
where:
bonds (distance) C4'-P energy: -128.138
bonds (distance) P-C4' energy: -114.325
flat angles C4'-P-C4' energy: -124.632
flat angles P-C4'-P energy: -91.364
tors. eta vs tors. theta energy: -90.662
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: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1206.979967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.979967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.979967 (E_RNA)
where:
Base-Base interactions energy: -703.698
where: short stacking energy: -355.534
Base-Backbone interact. energy: -3.630
local terms energy: -499.652103
where:
bonds (distance) C4'-P energy: -145.242
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -104.680
flat angles P-C4'-P energy: -82.706
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -899.893381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.893381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.893381 (E_RNA)
where:
Base-Base interactions energy: -467.910
where: short stacking energy: -256.212
Base-Backbone interact. energy: -1.796
local terms energy: -430.187180
where:
bonds (distance) C4'-P energy: -125.267
bonds (distance) P-C4' energy: -116.439
flat angles C4'-P-C4' energy: -121.021
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2873.332761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.332761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.332761 (E_RNA)
where:
Base-Base interactions energy: -1981.926
where: short stacking energy: -785.596
Base-Backbone interact. energy: -6.011
local terms energy: -885.395837
where:
bonds (distance) C4'-P energy: -162.079
bonds (distance) P-C4' energy: -170.360
flat angles C4'-P-C4' energy: -186.999
flat angles P-C4'-P energy: -131.653
tors. eta vs tors. theta energy: -234.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2652.288403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.288403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.288403 (E_RNA)
where:
Base-Base interactions energy: -1830.393
where: short stacking energy: -761.928
Base-Backbone interact. energy: -3.572
local terms energy: -818.323745
where:
bonds (distance) C4'-P energy: -151.469
bonds (distance) P-C4' energy: -159.925
flat angles C4'-P-C4' energy: -166.988
flat angles P-C4'-P energy: -122.698
tors. eta vs tors. theta energy: -217.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2460.380659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.380659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.380659 (E_RNA)
where:
Base-Base interactions energy: -1664.909
where: short stacking energy: -716.877
Base-Backbone interact. energy: -1.944
local terms energy: -793.527386
where:
bonds (distance) C4'-P energy: -138.941
bonds (distance) P-C4' energy: -163.800
flat angles C4'-P-C4' energy: -168.763
flat angles P-C4'-P energy: -119.977
tors. eta vs tors. theta energy: -202.047
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: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2394.554901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.554901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.554901 (E_RNA)
where:
Base-Base interactions energy: -1604.900
where: short stacking energy: -708.041
Base-Backbone interact. energy: 3.331
local terms energy: -792.986063
where:
bonds (distance) C4'-P energy: -140.487
bonds (distance) P-C4' energy: -148.712
flat angles C4'-P-C4' energy: -176.838
flat angles P-C4'-P energy: -120.619
tors. eta vs tors. theta energy: -206.330
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: 354
Temperature: 1.100000
Total energy: -2238.555164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.555164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.555164 (E_RNA)
where:
Base-Base interactions energy: -1483.769
where: short stacking energy: -650.017
Base-Backbone interact. energy: 2.351
local terms energy: -757.137366
where:
bonds (distance) C4'-P energy: -150.407
bonds (distance) P-C4' energy: -148.852
flat angles C4'-P-C4' energy: -162.728
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -187.270
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2029.399280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.399280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.399280 (E_RNA)
where:
Base-Base interactions energy: -1336.221
where: short stacking energy: -604.890
Base-Backbone interact. energy: 1.633
local terms energy: -694.811642
where:
bonds (distance) C4'-P energy: -147.245
bonds (distance) P-C4' energy: -125.091
flat angles C4'-P-C4' energy: -164.656
flat angles P-C4'-P energy: -94.645
tors. eta vs tors. theta energy: -163.174
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: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1872.583818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.583818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.583818 (E_RNA)
where:
Base-Base interactions energy: -1198.417
where: short stacking energy: -548.808
Base-Backbone interact. energy: 0.128
local terms energy: -674.295503
where:
bonds (distance) C4'-P energy: -155.426
bonds (distance) P-C4' energy: -133.660
flat angles C4'-P-C4' energy: -148.287
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -148.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1515.637318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.637318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.637318 (E_RNA)
where:
Base-Base interactions energy: -954.690
where: short stacking energy: -434.857
Base-Backbone interact. energy: 4.284
local terms energy: -565.231600
where:
bonds (distance) C4'-P energy: -132.189
bonds (distance) P-C4' energy: -145.323
flat angles C4'-P-C4' energy: -138.169
flat angles P-C4'-P energy: -68.060
tors. eta vs tors. theta energy: -81.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1219.034869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.034869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.034869 (E_RNA)
where:
Base-Base interactions energy: -712.045
where: short stacking energy: -346.536
Base-Backbone interact. energy: 2.030
local terms energy: -509.019597
where:
bonds (distance) C4'-P energy: -126.760
bonds (distance) P-C4' energy: -148.162
flat angles C4'-P-C4' energy: -111.339
flat angles P-C4'-P energy: -70.993
tors. eta vs tors. theta energy: -51.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -861.681183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.681183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.681183 (E_RNA)
where:
Base-Base interactions energy: -409.594
where: short stacking energy: -237.374
Base-Backbone interact. energy: -2.238
local terms energy: -449.848930
where:
bonds (distance) C4'-P energy: -130.767
bonds (distance) P-C4' energy: -134.315
flat angles C4'-P-C4' energy: -113.582
flat angles P-C4'-P energy: -82.746
tors. eta vs tors. theta energy: 11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2818.661264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.661264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.661264 (E_RNA)
where:
Base-Base interactions energy: -1969.830
where: short stacking energy: -795.446
Base-Backbone interact. energy: -4.526
local terms energy: -844.305682
where:
bonds (distance) C4'-P energy: -155.419
bonds (distance) P-C4' energy: -163.548
flat angles C4'-P-C4' energy: -172.609
flat angles P-C4'-P energy: -124.176
tors. eta vs tors. theta energy: -228.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2734.574274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.574274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.574274 (E_RNA)
where:
Base-Base interactions energy: -1905.216
where: short stacking energy: -781.600
Base-Backbone interact. energy: -1.983
local terms energy: -827.375377
where:
bonds (distance) C4'-P energy: -152.202
bonds (distance) P-C4' energy: -148.892
flat angles C4'-P-C4' energy: -190.497
flat angles P-C4'-P energy: -112.706
tors. eta vs tors. theta energy: -223.078
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: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2501.908675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.908675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.908675 (E_RNA)
where:
Base-Base interactions energy: -1683.540
where: short stacking energy: -700.950
Base-Backbone interact. energy: 0.083
local terms energy: -818.451584
where:
bonds (distance) C4'-P energy: -155.158
bonds (distance) P-C4' energy: -172.077
flat angles C4'-P-C4' energy: -179.150
flat angles P-C4'-P energy: -104.222
tors. eta vs tors. theta energy: -207.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2405.388362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.388362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.388362 (E_RNA)
where:
Base-Base interactions energy: -1641.736
where: short stacking energy: -695.527
Base-Backbone interact. energy: -2.718
local terms energy: -760.934915
where:
bonds (distance) C4'-P energy: -145.658
bonds (distance) P-C4' energy: -150.424
flat angles C4'-P-C4' energy: -161.978
flat angles P-C4'-P energy: -99.725
tors. eta vs tors. theta energy: -203.151
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2293.468807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.468807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.468807 (E_RNA)
where:
Base-Base interactions energy: -1530.539
where: short stacking energy: -657.697
Base-Backbone interact. energy: -1.374
local terms energy: -761.555944
where:
bonds (distance) C4'-P energy: -136.339
bonds (distance) P-C4' energy: -151.866
flat angles C4'-P-C4' energy: -160.633
flat angles P-C4'-P energy: -115.428
tors. eta vs tors. theta energy: -197.290
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: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2037.297138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.297138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.297138 (E_RNA)
where:
Base-Base interactions energy: -1342.839
where: short stacking energy: -580.612
Base-Backbone interact. energy: -3.027
local terms energy: -691.431716
where:
bonds (distance) C4'-P energy: -140.442
bonds (distance) P-C4' energy: -149.409
flat angles C4'-P-C4' energy: -144.321
flat angles P-C4'-P energy: -85.150
tors. eta vs tors. theta energy: -172.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1851.645417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.645417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.645417 (E_RNA)
where:
Base-Base interactions energy: -1187.715
where: short stacking energy: -514.326
Base-Backbone interact. energy: -3.012
local terms energy: -660.918823
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -164.403
flat angles C4'-P-C4' energy: -147.873
flat angles P-C4'-P energy: -88.495
tors. eta vs tors. theta energy: -132.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1525.775765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.775765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.775765 (E_RNA)
where:
Base-Base interactions energy: -956.723
where: short stacking energy: -436.739
Base-Backbone interact. energy: -0.682
local terms energy: -568.370532
where:
bonds (distance) C4'-P energy: -124.322
bonds (distance) P-C4' energy: -144.509
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -77.149
tors. eta vs tors. theta energy: -92.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1248.343168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.343168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.343168 (E_RNA)
where:
Base-Base interactions energy: -732.806
where: short stacking energy: -356.638
Base-Backbone interact. energy: 1.897
local terms energy: -517.434114
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -132.202
flat angles C4'-P-C4' energy: -132.159
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -55.713
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: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -886.879212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.879212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.879212 (E_RNA)
where:
Base-Base interactions energy: -443.351
where: short stacking energy: -256.852
Base-Backbone interact. energy: 4.326
local terms energy: -447.854223
where:
bonds (distance) C4'-P energy: -113.976
bonds (distance) P-C4' energy: -148.490
flat angles C4'-P-C4' energy: -95.847
flat angles P-C4'-P energy: -85.258
tors. eta vs tors. theta energy: -4.283
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: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2836.188608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.188608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.188608 (E_RNA)
where:
Base-Base interactions energy: -2002.610
where: short stacking energy: -791.880
Base-Backbone interact. energy: -4.038
local terms energy: -829.540129
where:
bonds (distance) C4'-P energy: -167.980
bonds (distance) P-C4' energy: -160.748
flat angles C4'-P-C4' energy: -169.595
flat angles P-C4'-P energy: -112.767
tors. eta vs tors. theta energy: -218.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2671.951422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.951422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.951422 (E_RNA)
where:
Base-Base interactions energy: -1858.252
where: short stacking energy: -749.330
Base-Backbone interact. energy: -2.550
local terms energy: -811.149973
where:
bonds (distance) C4'-P energy: -142.131
bonds (distance) P-C4' energy: -162.247
flat angles C4'-P-C4' energy: -168.338
flat angles P-C4'-P energy: -124.907
tors. eta vs tors. theta energy: -213.527
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: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2515.457806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.457806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.457806 (E_RNA)
where:
Base-Base interactions energy: -1694.112
where: short stacking energy: -752.128
Base-Backbone interact. energy: -1.434
local terms energy: -819.911697
where:
bonds (distance) C4'-P energy: -158.463
bonds (distance) P-C4' energy: -157.402
flat angles C4'-P-C4' energy: -168.138
flat angles P-C4'-P energy: -123.644
tors. eta vs tors. theta energy: -212.264
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: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2384.662598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.662598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.662598 (E_RNA)
where:
Base-Base interactions energy: -1607.137
where: short stacking energy: -690.655
Base-Backbone interact. energy: -1.272
local terms energy: -776.253232
where:
bonds (distance) C4'-P energy: -141.284
bonds (distance) P-C4' energy: -156.456
flat angles C4'-P-C4' energy: -167.705
flat angles P-C4'-P energy: -110.900
tors. eta vs tors. theta energy: -199.909
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: 356
Temperature: 1.100000
Total energy: -2262.994402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.994402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.994402 (E_RNA)
where:
Base-Base interactions energy: -1514.468
where: short stacking energy: -692.218
Base-Backbone interact. energy: 0.375
local terms energy: -748.901460
where:
bonds (distance) C4'-P energy: -126.188
bonds (distance) P-C4' energy: -148.830
flat angles C4'-P-C4' energy: -177.252
flat angles P-C4'-P energy: -95.442
tors. eta vs tors. theta energy: -201.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2039.889093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.889093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.889093 (E_RNA)
where:
Base-Base interactions energy: -1337.833
where: short stacking energy: -594.729
Base-Backbone interact. energy: 1.982
local terms energy: -704.038086
where:
bonds (distance) C4'-P energy: -148.303
bonds (distance) P-C4' energy: -141.489
flat angles C4'-P-C4' energy: -160.796
flat angles P-C4'-P energy: -105.017
tors. eta vs tors. theta energy: -148.432
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1874.953724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.953724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.953724 (E_RNA)
where:
Base-Base interactions energy: -1243.359
where: short stacking energy: -555.661
Base-Backbone interact. energy: 12.127
local terms energy: -643.722311
where:
bonds (distance) C4'-P energy: -129.456
bonds (distance) P-C4' energy: -145.304
flat angles C4'-P-C4' energy: -139.800
flat angles P-C4'-P energy: -94.546
tors. eta vs tors. theta energy: -134.617
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: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1475.363401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.363401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.363401 (E_RNA)
where:
Base-Base interactions energy: -927.430
where: short stacking energy: -430.040
Base-Backbone interact. energy: 0.459
local terms energy: -548.391810
where:
bonds (distance) C4'-P energy: -118.444
bonds (distance) P-C4' energy: -153.996
flat angles C4'-P-C4' energy: -127.028
flat angles P-C4'-P energy: -75.803
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: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1194.060262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.060262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.060262 (E_RNA)
where:
Base-Base interactions energy: -653.228
where: short stacking energy: -314.324
Base-Backbone interact. energy: -3.421
local terms energy: -537.411905
where:
bonds (distance) C4'-P energy: -146.487
bonds (distance) P-C4' energy: -140.832
flat angles C4'-P-C4' energy: -124.873
flat angles P-C4'-P energy: -82.020
tors. eta vs tors. theta energy: -43.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -892.320740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.320740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.320740 (E_RNA)
where:
Base-Base interactions energy: -407.524
where: short stacking energy: -227.612
Base-Backbone interact. energy: -3.202
local terms energy: -481.594695
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -144.121
flat angles C4'-P-C4' energy: -115.074
flat angles P-C4'-P energy: -91.408
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2843.729255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.729255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.729255 (E_RNA)
where:
Base-Base interactions energy: -1962.929
where: short stacking energy: -761.299
Base-Backbone interact. energy: -4.925
local terms energy: -875.875751
where:
bonds (distance) C4'-P energy: -166.986
bonds (distance) P-C4' energy: -169.600
flat angles C4'-P-C4' energy: -188.245
flat angles P-C4'-P energy: -119.027
tors. eta vs tors. theta energy: -232.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2645.861119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.861119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.861119 (E_RNA)
where:
Base-Base interactions energy: -1818.235
where: short stacking energy: -727.536
Base-Backbone interact. energy: -3.716
local terms energy: -823.910035
where:
bonds (distance) C4'-P energy: -158.699
bonds (distance) P-C4' energy: -161.828
flat angles C4'-P-C4' energy: -175.017
flat angles P-C4'-P energy: -111.239
tors. eta vs tors. theta energy: -217.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2486.223941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.223941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.223941 (E_RNA)
where:
Base-Base interactions energy: -1663.875
where: short stacking energy: -747.669
Base-Backbone interact. energy: -1.320
local terms energy: -821.029283
where:
bonds (distance) C4'-P energy: -153.814
bonds (distance) P-C4' energy: -153.174
flat angles C4'-P-C4' energy: -192.981
flat angles P-C4'-P energy: -97.776
tors. eta vs tors. theta energy: -223.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2343.737500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.737500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.737500 (E_RNA)
where:
Base-Base interactions energy: -1542.605
where: short stacking energy: -712.509
Base-Backbone interact. energy: -0.430
local terms energy: -800.702579
where:
bonds (distance) C4'-P energy: -162.461
bonds (distance) P-C4' energy: -162.474
flat angles C4'-P-C4' energy: -163.369
flat angles P-C4'-P energy: -101.399
tors. eta vs tors. theta energy: -211.001
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: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2295.479003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.479003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.479003 (E_RNA)
where:
Base-Base interactions energy: -1579.954
where: short stacking energy: -675.076
Base-Backbone interact. energy: -2.728
local terms energy: -712.797199
where:
bonds (distance) C4'-P energy: -123.751
bonds (distance) P-C4' energy: -150.741
flat angles C4'-P-C4' energy: -160.131
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -187.010
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: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2037.420945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.420945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.420945 (E_RNA)
where:
Base-Base interactions energy: -1354.077
where: short stacking energy: -598.358
Base-Backbone interact. energy: 1.861
local terms energy: -685.204645
where:
bonds (distance) C4'-P energy: -120.965
bonds (distance) P-C4' energy: -149.043
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -111.146
tors. eta vs tors. theta energy: -160.110
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: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1812.925972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.925972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.925972 (E_RNA)
where:
Base-Base interactions energy: -1169.894
where: short stacking energy: -523.226
Base-Backbone interact. energy: -1.890
local terms energy: -641.141841
where:
bonds (distance) C4'-P energy: -123.514
bonds (distance) P-C4' energy: -158.343
flat angles C4'-P-C4' energy: -136.639
flat angles P-C4'-P energy: -92.032
tors. eta vs tors. theta energy: -130.613
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: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1468.047215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.047215 (E_RNA)
where:
Base-Base interactions energy: -899.122
where: short stacking energy: -423.266
Base-Backbone interact. energy: -5.062
local terms energy: -563.863107
where:
bonds (distance) C4'-P energy: -129.588
bonds (distance) P-C4' energy: -135.399
flat angles C4'-P-C4' energy: -134.478
flat angles P-C4'-P energy: -79.577
tors. eta vs tors. theta energy: -84.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1167.075410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.075410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.075410 (E_RNA)
where:
Base-Base interactions energy: -655.718
where: short stacking energy: -320.113
Base-Backbone interact. energy: -1.178
local terms energy: -510.178509
where:
bonds (distance) C4'-P energy: -128.553
bonds (distance) P-C4' energy: -136.655
flat angles C4'-P-C4' energy: -114.939
flat angles P-C4'-P energy: -84.501
tors. eta vs tors. theta energy: -45.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -854.189483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.189483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.189483 (E_RNA)
where:
Base-Base interactions energy: -428.641
where: short stacking energy: -246.281
Base-Backbone interact. energy: 3.995
local terms energy: -429.543643
where:
bonds (distance) C4'-P energy: -117.171
bonds (distance) P-C4' energy: -133.563
flat angles C4'-P-C4' energy: -116.179
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: 4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2805.222904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.222904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.222904 (E_RNA)
where:
Base-Base interactions energy: -1955.834
where: short stacking energy: -797.018
Base-Backbone interact. energy: -1.883
local terms energy: -847.506247
where:
bonds (distance) C4'-P energy: -158.682
bonds (distance) P-C4' energy: -152.580
flat angles C4'-P-C4' energy: -188.194
flat angles P-C4'-P energy: -127.924
tors. eta vs tors. theta energy: -220.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2658.477933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.477933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.477933 (E_RNA)
where:
Base-Base interactions energy: -1823.415
where: short stacking energy: -749.490
Base-Backbone interact. energy: -2.644
local terms energy: -832.418923
where:
bonds (distance) C4'-P energy: -160.687
bonds (distance) P-C4' energy: -162.121
flat angles C4'-P-C4' energy: -187.075
flat angles P-C4'-P energy: -112.265
tors. eta vs tors. theta energy: -210.271
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: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2483.777203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.777203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.777203 (E_RNA)
where:
Base-Base interactions energy: -1674.969
where: short stacking energy: -740.898
Base-Backbone interact. energy: -2.347
local terms energy: -806.460535
where:
bonds (distance) C4'-P energy: -140.187
bonds (distance) P-C4' energy: -163.954
flat angles C4'-P-C4' energy: -172.138
flat angles P-C4'-P energy: -108.145
tors. eta vs tors. theta energy: -222.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2302.512524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.512524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.512524 (E_RNA)
where:
Base-Base interactions energy: -1516.455
where: short stacking energy: -693.828
Base-Backbone interact. energy: -0.739
local terms energy: -785.318761
where:
bonds (distance) C4'-P energy: -149.317
bonds (distance) P-C4' energy: -149.821
flat angles C4'-P-C4' energy: -173.960
flat angles P-C4'-P energy: -103.498
tors. eta vs tors. theta energy: -208.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2250.046878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.046878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.046878 (E_RNA)
where:
Base-Base interactions energy: -1494.675
where: short stacking energy: -644.697
Base-Backbone interact. energy: -3.382
local terms energy: -751.990209
where:
bonds (distance) C4'-P energy: -146.992
bonds (distance) P-C4' energy: -144.050
flat angles C4'-P-C4' energy: -169.866
flat angles P-C4'-P energy: -93.533
tors. eta vs tors. theta energy: -197.549
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: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2063.219054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.219054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.219054 (E_RNA)
where:
Base-Base interactions energy: -1356.665
where: short stacking energy: -568.498
Base-Backbone interact. energy: 2.769
local terms energy: -709.323254
where:
bonds (distance) C4'-P energy: -148.504
bonds (distance) P-C4' energy: -154.100
flat angles C4'-P-C4' energy: -156.060
flat angles P-C4'-P energy: -97.550
tors. eta vs tors. theta energy: -153.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1796.057802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.057802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.057802 (E_RNA)
where:
Base-Base interactions energy: -1189.512
where: short stacking energy: -521.325
Base-Backbone interact. energy: 5.307
local terms energy: -611.853227
where:
bonds (distance) C4'-P energy: -134.172
bonds (distance) P-C4' energy: -139.007
flat angles C4'-P-C4' energy: -144.112
flat angles P-C4'-P energy: -78.941
tors. eta vs tors. theta energy: -115.621
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1525.920189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.920189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.920189 (E_RNA)
where:
Base-Base interactions energy: -940.976
where: short stacking energy: -438.513
Base-Backbone interact. energy: -0.385
local terms energy: -584.559505
where:
bonds (distance) C4'-P energy: -144.795
bonds (distance) P-C4' energy: -148.323
flat angles C4'-P-C4' energy: -133.087
flat angles P-C4'-P energy: -73.319
tors. eta vs tors. theta energy: -85.035
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: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1145.147475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.147475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.147475 (E_RNA)
where:
Base-Base interactions energy: -650.249
where: short stacking energy: -317.996
Base-Backbone interact. energy: -0.330
local terms energy: -494.568694
where:
bonds (distance) C4'-P energy: -138.455
bonds (distance) P-C4' energy: -137.894
flat angles C4'-P-C4' energy: -103.157
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -45.197
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: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -874.808602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.808602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.808602 (E_RNA)
where:
Base-Base interactions energy: -418.055
where: short stacking energy: -230.267
Base-Backbone interact. energy: 8.138
local terms energy: -464.891527
where:
bonds (distance) C4'-P energy: -139.520
bonds (distance) P-C4' energy: -138.862
flat angles C4'-P-C4' energy: -112.984
flat angles P-C4'-P energy: -75.827
tors. eta vs tors. theta energy: 2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2819.763929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.763929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.763929 (E_RNA)
where:
Base-Base interactions energy: -1971.173
where: short stacking energy: -791.460
Base-Backbone interact. energy: -3.287
local terms energy: -845.304063
where:
bonds (distance) C4'-P energy: -154.991
bonds (distance) P-C4' energy: -170.370
flat angles C4'-P-C4' energy: -182.201
flat angles P-C4'-P energy: -117.438
tors. eta vs tors. theta energy: -220.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2679.857700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.857700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.857700 (E_RNA)
where:
Base-Base interactions energy: -1847.245
where: short stacking energy: -747.545
Base-Backbone interact. energy: -5.082
local terms energy: -827.530653
where:
bonds (distance) C4'-P energy: -151.184
bonds (distance) P-C4' energy: -163.181
flat angles C4'-P-C4' energy: -179.261
flat angles P-C4'-P energy: -112.154
tors. eta vs tors. theta energy: -221.750
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: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2470.715423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.715423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.715423 (E_RNA)
where:
Base-Base interactions energy: -1659.842
where: short stacking energy: -705.136
Base-Backbone interact. energy: -2.354
local terms energy: -808.518969
where:
bonds (distance) C4'-P energy: -166.721
bonds (distance) P-C4' energy: -150.113
flat angles C4'-P-C4' energy: -168.640
flat angles P-C4'-P energy: -107.746
tors. eta vs tors. theta energy: -215.298
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: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2281.759703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.759703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.759703 (E_RNA)
where:
Base-Base interactions energy: -1540.340
where: short stacking energy: -676.800
Base-Backbone interact. energy: -2.415
local terms energy: -739.004461
where:
bonds (distance) C4'-P energy: -143.851
bonds (distance) P-C4' energy: -127.900
flat angles C4'-P-C4' energy: -164.299
flat angles P-C4'-P energy: -111.334
tors. eta vs tors. theta energy: -191.621
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: 359
Temperature: 1.100000
Total energy: -2237.407121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.407121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.407121 (E_RNA)
where:
Base-Base interactions energy: -1543.625
where: short stacking energy: -665.168
Base-Backbone interact. energy: -5.005
local terms energy: -688.776852
where:
bonds (distance) C4'-P energy: -138.250
bonds (distance) P-C4' energy: -123.856
flat angles C4'-P-C4' energy: -150.049
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -178.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2136.442245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.442245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.442245 (E_RNA)
where:
Base-Base interactions energy: -1402.515
where: short stacking energy: -587.788
Base-Backbone interact. energy: -3.387
local terms energy: -730.540240
where:
bonds (distance) C4'-P energy: -149.831
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -168.825
flat angles P-C4'-P energy: -97.360
tors. eta vs tors. theta energy: -173.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1841.909428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.909428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.909428 (E_RNA)
where:
Base-Base interactions energy: -1198.121
where: short stacking energy: -540.329
Base-Backbone interact. energy: 1.715
local terms energy: -645.502724
where:
bonds (distance) C4'-P energy: -119.526
bonds (distance) P-C4' energy: -155.597
flat angles C4'-P-C4' energy: -146.362
flat angles P-C4'-P energy: -92.185
tors. eta vs tors. theta energy: -131.833
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1531.029564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.029564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.029564 (E_RNA)
where:
Base-Base interactions energy: -973.515
where: short stacking energy: -436.520
Base-Backbone interact. energy: -1.469
local terms energy: -556.045537
where:
bonds (distance) C4'-P energy: -127.605
bonds (distance) P-C4' energy: -143.594
flat angles C4'-P-C4' energy: -126.940
flat angles P-C4'-P energy: -85.877
tors. eta vs tors. theta energy: -72.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1104.340995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.340995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.340995 (E_RNA)
where:
Base-Base interactions energy: -663.206
where: short stacking energy: -332.568
Base-Backbone interact. energy: 7.099
local terms energy: -448.234460
where:
bonds (distance) C4'-P energy: -113.493
bonds (distance) P-C4' energy: -122.824
flat angles C4'-P-C4' energy: -117.723
flat angles P-C4'-P energy: -64.102
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: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -874.538498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.538498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.538498 (E_RNA)
where:
Base-Base interactions energy: -465.899
where: short stacking energy: -247.623
Base-Backbone interact. energy: -1.324
local terms energy: -407.315593
where:
bonds (distance) C4'-P energy: -113.455
bonds (distance) P-C4' energy: -132.383
flat angles C4'-P-C4' energy: -101.031
flat angles P-C4'-P energy: -59.639
tors. eta vs tors. theta energy: -0.808
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: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2805.562426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.562426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.562426 (E_RNA)
where:
Base-Base interactions energy: -1955.454
where: short stacking energy: -788.037
Base-Backbone interact. energy: 5.483
local terms energy: -855.591388
where:
bonds (distance) C4'-P energy: -158.043
bonds (distance) P-C4' energy: -172.789
flat angles C4'-P-C4' energy: -187.791
flat angles P-C4'-P energy: -115.071
tors. eta vs tors. theta energy: -221.896
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2681.541057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.541057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.541057 (E_RNA)
where:
Base-Base interactions energy: -1838.344
where: short stacking energy: -757.384
Base-Backbone interact. energy: -5.268
local terms energy: -837.929786
where:
bonds (distance) C4'-P energy: -154.193
bonds (distance) P-C4' energy: -173.277
flat angles C4'-P-C4' energy: -186.767
flat angles P-C4'-P energy: -109.804
tors. eta vs tors. theta energy: -213.889
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: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2549.469147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.469147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.469147 (E_RNA)
where:
Base-Base interactions energy: -1741.669
where: short stacking energy: -746.411
Base-Backbone interact. energy: 6.776
local terms energy: -814.575719
where:
bonds (distance) C4'-P energy: -154.711
bonds (distance) P-C4' energy: -162.588
flat angles C4'-P-C4' energy: -172.381
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -221.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2360.913790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.913790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.913790 (E_RNA)
where:
Base-Base interactions energy: -1570.392
where: short stacking energy: -680.664
Base-Backbone interact. energy: -1.929
local terms energy: -788.593434
where:
bonds (distance) C4'-P energy: -145.692
bonds (distance) P-C4' energy: -153.276
flat angles C4'-P-C4' energy: -180.530
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -196.412
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: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2200.448795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.448795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.448795 (E_RNA)
where:
Base-Base interactions energy: -1489.152
where: short stacking energy: -623.949
Base-Backbone interact. energy: -3.791
local terms energy: -707.505575
where:
bonds (distance) C4'-P energy: -139.646
bonds (distance) P-C4' energy: -136.317
flat angles C4'-P-C4' energy: -161.856
flat angles P-C4'-P energy: -103.791
tors. eta vs tors. theta energy: -165.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2147.804216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.804216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.804216 (E_RNA)
where:
Base-Base interactions energy: -1419.871
where: short stacking energy: -604.820
Base-Backbone interact. energy: -0.788
local terms energy: -727.145340
where:
bonds (distance) C4'-P energy: -144.964
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -172.700
flat angles P-C4'-P energy: -111.537
tors. eta vs tors. theta energy: -159.042
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1822.186187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.186187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.186187 (E_RNA)
where:
Base-Base interactions energy: -1196.469
where: short stacking energy: -513.472
Base-Backbone interact. energy: 1.734
local terms energy: -627.451839
where:
bonds (distance) C4'-P energy: -146.124
bonds (distance) P-C4' energy: -139.141
flat angles C4'-P-C4' energy: -141.980
flat angles P-C4'-P energy: -89.325
tors. eta vs tors. theta energy: -110.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1543.259584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.259584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.259584 (E_RNA)
where:
Base-Base interactions energy: -954.923
where: short stacking energy: -442.880
Base-Backbone interact. energy: 4.529
local terms energy: -592.865189
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -156.677
flat angles C4'-P-C4' energy: -133.179
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -97.956
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1097.618771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.618771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.618771 (E_RNA)
where:
Base-Base interactions energy: -610.338
where: short stacking energy: -290.649
Base-Backbone interact. energy: -1.679
local terms energy: -485.602405
where:
bonds (distance) C4'-P energy: -133.427
bonds (distance) P-C4' energy: -134.383
flat angles C4'-P-C4' energy: -128.124
flat angles P-C4'-P energy: -59.849
tors. eta vs tors. theta energy: -29.820
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: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -864.700158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.700158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.700158 (E_RNA)
where:
Base-Base interactions energy: -429.271
where: short stacking energy: -228.746
Base-Backbone interact. energy: 11.010
local terms energy: -446.439183
where:
bonds (distance) C4'-P energy: -124.539
bonds (distance) P-C4' energy: -134.736
flat angles C4'-P-C4' energy: -136.904
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: 2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2806.470981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.470981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.470981 (E_RNA)
where:
Base-Base interactions energy: -1947.971
where: short stacking energy: -793.226
Base-Backbone interact. energy: -3.741
local terms energy: -854.759140
where:
bonds (distance) C4'-P energy: -165.232
bonds (distance) P-C4' energy: -176.152
flat angles C4'-P-C4' energy: -167.172
flat angles P-C4'-P energy: -116.505
tors. eta vs tors. theta energy: -229.698
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2702.624381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.624381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.624381 (E_RNA)
where:
Base-Base interactions energy: -1912.041
where: short stacking energy: -781.779
Base-Backbone interact. energy: -7.734
local terms energy: -782.850058
where:
bonds (distance) C4'-P energy: -126.339
bonds (distance) P-C4' energy: -157.663
flat angles C4'-P-C4' energy: -170.016
flat angles P-C4'-P energy: -112.674
tors. eta vs tors. theta energy: -216.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2518.162595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.162595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.162595 (E_RNA)
where:
Base-Base interactions energy: -1709.385
where: short stacking energy: -728.918
Base-Backbone interact. energy: -2.775
local terms energy: -806.003033
where:
bonds (distance) C4'-P energy: -149.859
bonds (distance) P-C4' energy: -138.637
flat angles C4'-P-C4' energy: -178.135
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -219.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2379.676377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.676377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.676377 (E_RNA)
where:
Base-Base interactions energy: -1600.954
where: short stacking energy: -698.074
Base-Backbone interact. energy: -2.684
local terms energy: -776.038420
where:
bonds (distance) C4'-P energy: -122.367
bonds (distance) P-C4' energy: -149.170
flat angles C4'-P-C4' energy: -174.389
flat angles P-C4'-P energy: -119.104
tors. eta vs tors. theta energy: -211.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2223.871082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.871082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.871082 (E_RNA)
where:
Base-Base interactions energy: -1499.478
where: short stacking energy: -658.840
Base-Backbone interact. energy: -1.858
local terms energy: -722.534313
where:
bonds (distance) C4'-P energy: -131.270
bonds (distance) P-C4' energy: -152.614
flat angles C4'-P-C4' energy: -152.252
flat angles P-C4'-P energy: -115.807
tors. eta vs tors. theta energy: -170.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2072.270549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.270549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.270549 (E_RNA)
where:
Base-Base interactions energy: -1362.995
where: short stacking energy: -606.107
Base-Backbone interact. energy: 0.753
local terms energy: -710.028594
where:
bonds (distance) C4'-P energy: -153.861
bonds (distance) P-C4' energy: -125.237
flat angles C4'-P-C4' energy: -159.036
flat angles P-C4'-P energy: -95.147
tors. eta vs tors. theta energy: -176.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1833.442808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.442808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.442808 (E_RNA)
where:
Base-Base interactions energy: -1210.782
where: short stacking energy: -537.162
Base-Backbone interact. energy: 2.764
local terms energy: -625.424780
where:
bonds (distance) C4'-P energy: -124.364
bonds (distance) P-C4' energy: -157.444
flat angles C4'-P-C4' energy: -139.416
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -128.915
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: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1477.705751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.705751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.705751 (E_RNA)
where:
Base-Base interactions energy: -944.741
where: short stacking energy: -429.305
Base-Backbone interact. energy: -2.029
local terms energy: -530.936420
where:
bonds (distance) C4'-P energy: -124.427
bonds (distance) P-C4' energy: -117.494
flat angles C4'-P-C4' energy: -130.420
flat angles P-C4'-P energy: -76.420
tors. eta vs tors. theta energy: -82.175
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: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1209.109290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.109290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.109290 (E_RNA)
where:
Base-Base interactions energy: -700.844
where: short stacking energy: -329.135
Base-Backbone interact. energy: 4.723
local terms energy: -512.987648
where:
bonds (distance) C4'-P energy: -128.171
bonds (distance) P-C4' energy: -137.324
flat angles C4'-P-C4' energy: -112.312
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -878.006788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.006788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.006788 (E_RNA)
where:
Base-Base interactions energy: -449.067
where: short stacking energy: -215.569
Base-Backbone interact. energy: -2.149
local terms energy: -426.790916
where:
bonds (distance) C4'-P energy: -128.974
bonds (distance) P-C4' energy: -124.291
flat angles C4'-P-C4' energy: -109.444
flat angles P-C4'-P energy: -67.249
tors. eta vs tors. theta energy: 3.168
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: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2807.074097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.074097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.074097 (E_RNA)
where:
Base-Base interactions energy: -1942.490
where: short stacking energy: -769.528
Base-Backbone interact. energy: 0.454
local terms energy: -865.038388
where:
bonds (distance) C4'-P energy: -167.171
bonds (distance) P-C4' energy: -174.022
flat angles C4'-P-C4' energy: -191.636
flat angles P-C4'-P energy: -113.791
tors. eta vs tors. theta energy: -218.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2712.428788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.428788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.428788 (E_RNA)
where:
Base-Base interactions energy: -1896.887
where: short stacking energy: -770.963
Base-Backbone interact. energy: -7.098
local terms energy: -808.443472
where:
bonds (distance) C4'-P energy: -146.251
bonds (distance) P-C4' energy: -153.403
flat angles C4'-P-C4' energy: -169.226
flat angles P-C4'-P energy: -125.637
tors. eta vs tors. theta energy: -213.926
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: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2499.931805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.931805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.931805 (E_RNA)
where:
Base-Base interactions energy: -1659.880
where: short stacking energy: -743.403
Base-Backbone interact. energy: -4.957
local terms energy: -835.094415
where:
bonds (distance) C4'-P energy: -153.647
bonds (distance) P-C4' energy: -171.466
flat angles C4'-P-C4' energy: -163.646
flat angles P-C4'-P energy: -124.010
tors. eta vs tors. theta energy: -222.325
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: 362
Temperature: 1.050000
Total energy: -2325.835201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.835201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.835201 (E_RNA)
where:
Base-Base interactions energy: -1556.385
where: short stacking energy: -658.753
Base-Backbone interact. energy: -0.535
local terms energy: -768.914763
where:
bonds (distance) C4'-P energy: -150.699
bonds (distance) P-C4' energy: -140.161
flat angles C4'-P-C4' energy: -168.886
flat angles P-C4'-P energy: -107.231
tors. eta vs tors. theta energy: -201.938
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: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2239.354670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.354670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.354670 (E_RNA)
where:
Base-Base interactions energy: -1507.675
where: short stacking energy: -659.430
Base-Backbone interact. energy: -0.439
local terms energy: -731.240040
where:
bonds (distance) C4'-P energy: -132.571
bonds (distance) P-C4' energy: -149.760
flat angles C4'-P-C4' energy: -169.383
flat angles P-C4'-P energy: -104.590
tors. eta vs tors. theta energy: -174.936
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2092.436636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.436636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.436636 (E_RNA)
where:
Base-Base interactions energy: -1380.949
where: short stacking energy: -595.945
Base-Backbone interact. energy: -0.442
local terms energy: -711.045765
where:
bonds (distance) C4'-P energy: -143.284
bonds (distance) P-C4' energy: -146.927
flat angles C4'-P-C4' energy: -166.635
flat angles P-C4'-P energy: -91.515
tors. eta vs tors. theta energy: -162.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1911.385293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.385293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.385293 (E_RNA)
where:
Base-Base interactions energy: -1251.277
where: short stacking energy: -542.231
Base-Backbone interact. energy: 3.492
local terms energy: -663.600145
where:
bonds (distance) C4'-P energy: -134.633
bonds (distance) P-C4' energy: -146.315
flat angles C4'-P-C4' energy: -145.762
flat angles P-C4'-P energy: -94.189
tors. eta vs tors. theta energy: -142.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1483.984969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.984969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.984969 (E_RNA)
where:
Base-Base interactions energy: -949.419
where: short stacking energy: -464.159
Base-Backbone interact. energy: -1.536
local terms energy: -533.029968
where:
bonds (distance) C4'-P energy: -105.635
bonds (distance) P-C4' energy: -132.544
flat angles C4'-P-C4' energy: -130.332
flat angles P-C4'-P energy: -77.764
tors. eta vs tors. theta energy: -86.756
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1099.487298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.487298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.487298 (E_RNA)
where:
Base-Base interactions energy: -627.227
where: short stacking energy: -295.513
Base-Backbone interact. energy: -1.215
local terms energy: -471.045041
where:
bonds (distance) C4'-P energy: -114.131
bonds (distance) P-C4' energy: -147.474
flat angles C4'-P-C4' energy: -113.479
flat angles P-C4'-P energy: -54.220
tors. eta vs tors. theta energy: -41.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -927.630411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.630411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.630411 (E_RNA)
where:
Base-Base interactions energy: -480.467
where: short stacking energy: -277.598
Base-Backbone interact. energy: -1.671
local terms energy: -445.492200
where:
bonds (distance) C4'-P energy: -114.789
bonds (distance) P-C4' energy: -130.023
flat angles C4'-P-C4' energy: -117.544
flat angles P-C4'-P energy: -60.752
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2790.382981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.382981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.382981 (E_RNA)
where:
Base-Base interactions energy: -1910.450
where: short stacking energy: -789.201
Base-Backbone interact. energy: -5.049
local terms energy: -874.883217
where:
bonds (distance) C4'-P energy: -168.633
bonds (distance) P-C4' energy: -161.753
flat angles C4'-P-C4' energy: -192.581
flat angles P-C4'-P energy: -127.646
tors. eta vs tors. theta energy: -224.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2755.082730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.082730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.082730 (E_RNA)
where:
Base-Base interactions energy: -1927.891
where: short stacking energy: -776.002
Base-Backbone interact. energy: -5.366
local terms energy: -821.825491
where:
bonds (distance) C4'-P energy: -166.006
bonds (distance) P-C4' energy: -154.905
flat angles C4'-P-C4' energy: -176.794
flat angles P-C4'-P energy: -113.317
tors. eta vs tors. theta energy: -210.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2457.599821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.599821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.599821 (E_RNA)
where:
Base-Base interactions energy: -1641.619
where: short stacking energy: -709.664
Base-Backbone interact. energy: -2.424
local terms energy: -813.556248
where:
bonds (distance) C4'-P energy: -165.497
bonds (distance) P-C4' energy: -156.888
flat angles C4'-P-C4' energy: -166.692
flat angles P-C4'-P energy: -116.215
tors. eta vs tors. theta energy: -208.264
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: 363
Temperature: 1.050000
Total energy: -2400.207772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.207772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.207772 (E_RNA)
where:
Base-Base interactions energy: -1628.911
where: short stacking energy: -705.657
Base-Backbone interact. energy: -2.288
local terms energy: -769.008428
where:
bonds (distance) C4'-P energy: -152.291
bonds (distance) P-C4' energy: -144.567
flat angles C4'-P-C4' energy: -165.274
flat angles P-C4'-P energy: -95.288
tors. eta vs tors. theta energy: -211.589
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: 363
Temperature: 1.100000
Total energy: -2191.733869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.733869 (E_RNA)
where:
Base-Base interactions energy: -1435.365
where: short stacking energy: -630.748
Base-Backbone interact. energy: -2.901
local terms energy: -753.467859
where:
bonds (distance) C4'-P energy: -150.992
bonds (distance) P-C4' energy: -172.546
flat angles C4'-P-C4' energy: -154.487
flat angles P-C4'-P energy: -99.423
tors. eta vs tors. theta energy: -176.020
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2062.506623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.506623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.506623 (E_RNA)
where:
Base-Base interactions energy: -1358.613
where: short stacking energy: -585.451
Base-Backbone interact. energy: -4.239
local terms energy: -699.654933
where:
bonds (distance) C4'-P energy: -141.250
bonds (distance) P-C4' energy: -138.915
flat angles C4'-P-C4' energy: -141.033
flat angles P-C4'-P energy: -106.958
tors. eta vs tors. theta energy: -171.499
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: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1960.767913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.767913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.767913 (E_RNA)
where:
Base-Base interactions energy: -1332.482
where: short stacking energy: -568.335
Base-Backbone interact. energy: 0.422
local terms energy: -628.708348
where:
bonds (distance) C4'-P energy: -156.451
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -139.569
flat angles P-C4'-P energy: -74.861
tors. eta vs tors. theta energy: -141.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1465.452981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.452981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.452981 (E_RNA)
where:
Base-Base interactions energy: -885.120
where: short stacking energy: -386.820
Base-Backbone interact. energy: -2.373
local terms energy: -577.959140
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -145.516
flat angles C4'-P-C4' energy: -146.810
flat angles P-C4'-P energy: -92.029
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: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1136.496282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.496282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.496282 (E_RNA)
where:
Base-Base interactions energy: -608.657
where: short stacking energy: -278.307
Base-Backbone interact. energy: -4.131
local terms energy: -523.707593
where:
bonds (distance) C4'-P energy: -141.034
bonds (distance) P-C4' energy: -151.111
flat angles C4'-P-C4' energy: -129.817
flat angles P-C4'-P energy: -69.301
tors. eta vs tors. theta energy: -32.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -884.616055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.616055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.616055 (E_RNA)
where:
Base-Base interactions energy: -459.358
where: short stacking energy: -254.488
Base-Backbone interact. energy: -0.087
local terms energy: -425.170443
where:
bonds (distance) C4'-P energy: -120.281
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -110.463
flat angles P-C4'-P energy: -58.512
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2837.844948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.844948 (E_RNA)
where:
Base-Base interactions energy: -1990.046
where: short stacking energy: -816.250
Base-Backbone interact. energy: -2.978
local terms energy: -844.821585
where:
bonds (distance) C4'-P energy: -165.231
bonds (distance) P-C4' energy: -150.343
flat angles C4'-P-C4' energy: -185.379
flat angles P-C4'-P energy: -116.543
tors. eta vs tors. theta energy: -227.326
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2734.596402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.596402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.596402 (E_RNA)
where:
Base-Base interactions energy: -1908.560
where: short stacking energy: -767.030
Base-Backbone interact. energy: -1.114
local terms energy: -824.922151
where:
bonds (distance) C4'-P energy: -152.320
bonds (distance) P-C4' energy: -164.961
flat angles C4'-P-C4' energy: -181.083
flat angles P-C4'-P energy: -114.701
tors. eta vs tors. theta energy: -211.857
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: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2456.616030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.616030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.616030 (E_RNA)
where:
Base-Base interactions energy: -1655.724
where: short stacking energy: -739.468
Base-Backbone interact. energy: 0.203
local terms energy: -801.094558
where:
bonds (distance) C4'-P energy: -127.114
bonds (distance) P-C4' energy: -152.252
flat angles C4'-P-C4' energy: -177.240
flat angles P-C4'-P energy: -135.810
tors. eta vs tors. theta energy: -208.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2371.980241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.980241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.980241 (E_RNA)
where:
Base-Base interactions energy: -1588.854
where: short stacking energy: -713.080
Base-Backbone interact. energy: -1.050
local terms energy: -782.075835
where:
bonds (distance) C4'-P energy: -141.361
bonds (distance) P-C4' energy: -154.778
flat angles C4'-P-C4' energy: -162.545
flat angles P-C4'-P energy: -119.829
tors. eta vs tors. theta energy: -203.563
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: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2193.884907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.884907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.884907 (E_RNA)
where:
Base-Base interactions energy: -1485.255
where: short stacking energy: -671.677
Base-Backbone interact. energy: -1.239
local terms energy: -707.390902
where:
bonds (distance) C4'-P energy: -125.698
bonds (distance) P-C4' energy: -147.720
flat angles C4'-P-C4' energy: -158.801
flat angles P-C4'-P energy: -96.749
tors. eta vs tors. theta energy: -178.423
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2074.896255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.896255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.896255 (E_RNA)
where:
Base-Base interactions energy: -1380.606
where: short stacking energy: -606.807
Base-Backbone interact. energy: -0.455
local terms energy: -693.834924
where:
bonds (distance) C4'-P energy: -142.027
bonds (distance) P-C4' energy: -140.432
flat angles C4'-P-C4' energy: -154.416
flat angles P-C4'-P energy: -83.238
tors. eta vs tors. theta energy: -173.722
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1969.780817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.780817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.780817 (E_RNA)
where:
Base-Base interactions energy: -1264.791
where: short stacking energy: -551.299
Base-Backbone interact. energy: -1.221
local terms energy: -703.768979
where:
bonds (distance) C4'-P energy: -151.341
bonds (distance) P-C4' energy: -155.649
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -91.902
tors. eta vs tors. theta energy: -140.570
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: 364
Temperature: 1.250000
Total energy: -1426.788759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.788759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.788759 (E_RNA)
where:
Base-Base interactions energy: -864.656
where: short stacking energy: -399.787
Base-Backbone interact. energy: -2.287
local terms energy: -559.845755
where:
bonds (distance) C4'-P energy: -138.443
bonds (distance) P-C4' energy: -143.460
flat angles C4'-P-C4' energy: -147.310
flat angles P-C4'-P energy: -72.522
tors. eta vs tors. theta energy: -58.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1061.279580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.279580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.279580 (E_RNA)
where:
Base-Base interactions energy: -590.264
where: short stacking energy: -312.793
Base-Backbone interact. energy: -1.290
local terms energy: -469.725730
where:
bonds (distance) C4'-P energy: -133.633
bonds (distance) P-C4' energy: -117.863
flat angles C4'-P-C4' energy: -118.350
flat angles P-C4'-P energy: -63.389
tors. eta vs tors. theta energy: -36.489
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: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -784.632083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.632083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.632083 (E_RNA)
where:
Base-Base interactions energy: -350.609
where: short stacking energy: -207.724
Base-Backbone interact. energy: 3.951
local terms energy: -437.974146
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -133.455
flat angles C4'-P-C4' energy: -114.750
flat angles P-C4'-P energy: -83.729
tors. eta vs tors. theta energy: 6.026
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: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2813.902518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.902518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.902518 (E_RNA)
where:
Base-Base interactions energy: -1964.586
where: short stacking energy: -784.800
Base-Backbone interact. energy: -5.320
local terms energy: -843.995931
where:
bonds (distance) C4'-P energy: -152.500
bonds (distance) P-C4' energy: -156.189
flat angles C4'-P-C4' energy: -188.485
flat angles P-C4'-P energy: -115.367
tors. eta vs tors. theta energy: -231.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2718.028499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.028499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.028499 (E_RNA)
where:
Base-Base interactions energy: -1888.454
where: short stacking energy: -783.914
Base-Backbone interact. energy: -6.972
local terms energy: -822.602193
where:
bonds (distance) C4'-P energy: -153.112
bonds (distance) P-C4' energy: -165.704
flat angles C4'-P-C4' energy: -179.785
flat angles P-C4'-P energy: -113.595
tors. eta vs tors. theta energy: -210.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2494.767827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.767827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.767827 (E_RNA)
where:
Base-Base interactions energy: -1661.804
where: short stacking energy: -729.170
Base-Backbone interact. energy: -1.819
local terms energy: -831.144622
where:
bonds (distance) C4'-P energy: -158.410
bonds (distance) P-C4' energy: -154.291
flat angles C4'-P-C4' energy: -172.355
flat angles P-C4'-P energy: -115.722
tors. eta vs tors. theta energy: -230.367
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: 365
Temperature: 1.050000
Total energy: -2393.587891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.587891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.587891 (E_RNA)
where:
Base-Base interactions energy: -1587.687
where: short stacking energy: -713.856
Base-Backbone interact. energy: -0.289
local terms energy: -805.610960
where:
bonds (distance) C4'-P energy: -162.424
bonds (distance) P-C4' energy: -136.487
flat angles C4'-P-C4' energy: -173.136
flat angles P-C4'-P energy: -109.540
tors. eta vs tors. theta energy: -224.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2161.616135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.616135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.616135 (E_RNA)
where:
Base-Base interactions energy: -1447.266
where: short stacking energy: -621.530
Base-Backbone interact. energy: 3.525
local terms energy: -717.875645
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -140.918
flat angles C4'-P-C4' energy: -156.866
flat angles P-C4'-P energy: -109.086
tors. eta vs tors. theta energy: -179.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2004.168045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.168045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.168045 (E_RNA)
where:
Base-Base interactions energy: -1357.733
where: short stacking energy: -591.765
Base-Backbone interact. energy: -1.854
local terms energy: -644.581659
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -154.501
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -139.801
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: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1972.603086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.603086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.603086 (E_RNA)
where:
Base-Base interactions energy: -1320.249
where: short stacking energy: -572.282
Base-Backbone interact. energy: -3.467
local terms energy: -648.886796
where:
bonds (distance) C4'-P energy: -132.952
bonds (distance) P-C4' energy: -140.526
flat angles C4'-P-C4' energy: -154.996
flat angles P-C4'-P energy: -89.433
tors. eta vs tors. theta energy: -130.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1383.799385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.799385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.799385 (E_RNA)
where:
Base-Base interactions energy: -848.649
where: short stacking energy: -398.837
Base-Backbone interact. energy: -3.107
local terms energy: -532.042825
where:
bonds (distance) C4'-P energy: -129.096
bonds (distance) P-C4' energy: -123.164
flat angles C4'-P-C4' energy: -126.571
flat angles P-C4'-P energy: -82.609
tors. eta vs tors. theta energy: -70.604
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: 365
Temperature: 1.300000
Total energy: -1138.419736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.419736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.419736 (E_RNA)
where:
Base-Base interactions energy: -628.833
where: short stacking energy: -342.465
Base-Backbone interact. energy: -1.092
local terms energy: -508.495232
where:
bonds (distance) C4'-P energy: -138.138
bonds (distance) P-C4' energy: -137.725
flat angles C4'-P-C4' energy: -129.782
flat angles P-C4'-P energy: -64.929
tors. eta vs tors. theta energy: -37.920
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: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -781.894557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.894557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.894557 (E_RNA)
where:
Base-Base interactions energy: -367.198
where: short stacking energy: -205.830
Base-Backbone interact. energy: -0.086
local terms energy: -414.610875
where:
bonds (distance) C4'-P energy: -127.772
bonds (distance) P-C4' energy: -123.687
flat angles C4'-P-C4' energy: -119.455
flat angles P-C4'-P energy: -66.871
tors. eta vs tors. theta energy: 23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2818.946950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.946950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.946950 (E_RNA)
where:
Base-Base interactions energy: -1952.232
where: short stacking energy: -795.538
Base-Backbone interact. energy: -5.346
local terms energy: -861.369256
where:
bonds (distance) C4'-P energy: -177.655
bonds (distance) P-C4' energy: -162.369
flat angles C4'-P-C4' energy: -192.320
flat angles P-C4'-P energy: -102.450
tors. eta vs tors. theta energy: -226.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2724.194498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.194498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.194498 (E_RNA)
where:
Base-Base interactions energy: -1890.059
where: short stacking energy: -758.652
Base-Backbone interact. energy: -2.929
local terms energy: -831.206396
where:
bonds (distance) C4'-P energy: -163.536
bonds (distance) P-C4' energy: -162.300
flat angles C4'-P-C4' energy: -176.632
flat angles P-C4'-P energy: -106.185
tors. eta vs tors. theta energy: -222.554
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2533.958600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.958600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.958600 (E_RNA)
where:
Base-Base interactions energy: -1696.580
where: short stacking energy: -732.375
Base-Backbone interact. energy: 0.341
local terms energy: -837.719776
where:
bonds (distance) C4'-P energy: -166.391
bonds (distance) P-C4' energy: -149.673
flat angles C4'-P-C4' energy: -183.045
flat angles P-C4'-P energy: -121.309
tors. eta vs tors. theta energy: -217.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2342.461510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.461510 (E_RNA)
where:
Base-Base interactions energy: -1580.294
where: short stacking energy: -687.116
Base-Backbone interact. energy: -1.038
local terms energy: -761.130154
where:
bonds (distance) C4'-P energy: -147.782
bonds (distance) P-C4' energy: -147.605
flat angles C4'-P-C4' energy: -157.136
flat angles P-C4'-P energy: -105.559
tors. eta vs tors. theta energy: -203.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2165.227219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.227219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.227219 (E_RNA)
where:
Base-Base interactions energy: -1470.079
where: short stacking energy: -616.164
Base-Backbone interact. energy: 0.817
local terms energy: -695.964632
where:
bonds (distance) C4'-P energy: -139.597
bonds (distance) P-C4' energy: -148.649
flat angles C4'-P-C4' energy: -159.096
flat angles P-C4'-P energy: -96.430
tors. eta vs tors. theta energy: -152.194
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2047.644657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.644657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.644657 (E_RNA)
where:
Base-Base interactions energy: -1368.454
where: short stacking energy: -595.669
Base-Backbone interact. energy: -1.817
local terms energy: -677.374030
where:
bonds (distance) C4'-P energy: -133.310
bonds (distance) P-C4' energy: -151.083
flat angles C4'-P-C4' energy: -140.579
flat angles P-C4'-P energy: -94.008
tors. eta vs tors. theta energy: -158.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1983.342377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.342377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.342377 (E_RNA)
where:
Base-Base interactions energy: -1339.759
where: short stacking energy: -573.286
Base-Backbone interact. energy: -2.193
local terms energy: -641.390204
where:
bonds (distance) C4'-P energy: -144.597
bonds (distance) P-C4' energy: -121.471
flat angles C4'-P-C4' energy: -148.959
flat angles P-C4'-P energy: -89.729
tors. eta vs tors. theta energy: -136.634
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1395.125007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.125007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.125007 (E_RNA)
where:
Base-Base interactions energy: -854.458
where: short stacking energy: -389.154
Base-Backbone interact. energy: 3.567
local terms energy: -544.233347
where:
bonds (distance) C4'-P energy: -138.636
bonds (distance) P-C4' energy: -126.934
flat angles C4'-P-C4' energy: -136.484
flat angles P-C4'-P energy: -85.371
tors. eta vs tors. theta energy: -56.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1048.343185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.343185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.343185 (E_RNA)
where:
Base-Base interactions energy: -575.219
where: short stacking energy: -294.250
Base-Backbone interact. energy: 7.862
local terms energy: -480.986293
where:
bonds (distance) C4'-P energy: -124.732
bonds (distance) P-C4' energy: -127.521
flat angles C4'-P-C4' energy: -129.506
flat angles P-C4'-P energy: -83.376
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -810.551789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.551789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.551789 (E_RNA)
where:
Base-Base interactions energy: -358.020
where: short stacking energy: -194.020
Base-Backbone interact. energy: -0.416
local terms energy: -452.115846
where:
bonds (distance) C4'-P energy: -145.370
bonds (distance) P-C4' energy: -128.780
flat angles C4'-P-C4' energy: -105.553
flat angles P-C4'-P energy: -73.915
tors. eta vs tors. theta energy: 1.503
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: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2837.534716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.534716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.534716 (E_RNA)
where:
Base-Base interactions energy: -1968.666
where: short stacking energy: -802.652
Base-Backbone interact. energy: 1.601
local terms energy: -870.470093
where:
bonds (distance) C4'-P energy: -162.593
bonds (distance) P-C4' energy: -175.038
flat angles C4'-P-C4' energy: -192.277
flat angles P-C4'-P energy: -118.253
tors. eta vs tors. theta energy: -222.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2740.836639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.836639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.836639 (E_RNA)
where:
Base-Base interactions energy: -1910.441
where: short stacking energy: -787.446
Base-Backbone interact. energy: -5.050
local terms energy: -825.345217
where:
bonds (distance) C4'-P energy: -149.721
bonds (distance) P-C4' energy: -165.828
flat angles C4'-P-C4' energy: -185.161
flat angles P-C4'-P energy: -105.297
tors. eta vs tors. theta energy: -219.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2447.067069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.067069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.067069 (E_RNA)
where:
Base-Base interactions energy: -1654.420
where: short stacking energy: -719.319
Base-Backbone interact. energy: -4.372
local terms energy: -788.274946
where:
bonds (distance) C4'-P energy: -143.386
bonds (distance) P-C4' energy: -153.458
flat angles C4'-P-C4' energy: -173.531
flat angles P-C4'-P energy: -105.969
tors. eta vs tors. theta energy: -211.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2366.028520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.028520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.028520 (E_RNA)
where:
Base-Base interactions energy: -1580.899
where: short stacking energy: -679.904
Base-Backbone interact. energy: -0.201
local terms energy: -784.928390
where:
bonds (distance) C4'-P energy: -135.173
bonds (distance) P-C4' energy: -155.431
flat angles C4'-P-C4' energy: -178.730
flat angles P-C4'-P energy: -104.027
tors. eta vs tors. theta energy: -211.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2185.275231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.275231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.275231 (E_RNA)
where:
Base-Base interactions energy: -1462.849
where: short stacking energy: -628.260
Base-Backbone interact. energy: -0.846
local terms energy: -721.580529
where:
bonds (distance) C4'-P energy: -155.544
bonds (distance) P-C4' energy: -145.701
flat angles C4'-P-C4' energy: -157.998
flat angles P-C4'-P energy: -99.331
tors. eta vs tors. theta energy: -163.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2043.771971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.771971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.771971 (E_RNA)
where:
Base-Base interactions energy: -1373.451
where: short stacking energy: -617.033
Base-Backbone interact. energy: -3.422
local terms energy: -666.898860
where:
bonds (distance) C4'-P energy: -127.845
bonds (distance) P-C4' energy: -159.891
flat angles C4'-P-C4' energy: -151.160
flat angles P-C4'-P energy: -76.216
tors. eta vs tors. theta energy: -151.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2027.240449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.240449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.240449 (E_RNA)
where:
Base-Base interactions energy: -1349.398
where: short stacking energy: -561.975
Base-Backbone interact. energy: -0.092
local terms energy: -677.750134
where:
bonds (distance) C4'-P energy: -126.822
bonds (distance) P-C4' energy: -141.684
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -110.841
tors. eta vs tors. theta energy: -143.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1440.596185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.596185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.596185 (E_RNA)
where:
Base-Base interactions energy: -894.138
where: short stacking energy: -409.802
Base-Backbone interact. energy: -2.023
local terms energy: -544.434715
where:
bonds (distance) C4'-P energy: -120.261
bonds (distance) P-C4' energy: -113.738
flat angles C4'-P-C4' energy: -160.560
flat angles P-C4'-P energy: -83.232
tors. eta vs tors. theta energy: -66.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1124.191064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.191064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.191064 (E_RNA)
where:
Base-Base interactions energy: -639.838
where: short stacking energy: -301.168
Base-Backbone interact. energy: 0.208
local terms energy: -484.561178
where:
bonds (distance) C4'-P energy: -128.152
bonds (distance) P-C4' energy: -143.074
flat angles C4'-P-C4' energy: -99.940
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -36.428
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: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -791.932837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.932837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.932837 (E_RNA)
where:
Base-Base interactions energy: -375.225
where: short stacking energy: -218.285
Base-Backbone interact. energy: 7.372
local terms energy: -424.079382
where:
bonds (distance) C4'-P energy: -129.028
bonds (distance) P-C4' energy: -144.663
flat angles C4'-P-C4' energy: -100.810
flat angles P-C4'-P energy: -58.552
tors. eta vs tors. theta energy: 8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2777.170525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.170525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.170525 (E_RNA)
where:
Base-Base interactions energy: -1949.895
where: short stacking energy: -791.956
Base-Backbone interact. energy: -0.880
local terms energy: -826.395139
where:
bonds (distance) C4'-P energy: -142.270
bonds (distance) P-C4' energy: -167.871
flat angles C4'-P-C4' energy: -169.910
flat angles P-C4'-P energy: -123.659
tors. eta vs tors. theta energy: -222.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2782.278077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.278077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.278077 (E_RNA)
where:
Base-Base interactions energy: -1946.547
where: short stacking energy: -776.155
Base-Backbone interact. energy: -2.867
local terms energy: -832.864059
where:
bonds (distance) C4'-P energy: -155.160
bonds (distance) P-C4' energy: -158.279
flat angles C4'-P-C4' energy: -193.448
flat angles P-C4'-P energy: -109.929
tors. eta vs tors. theta energy: -216.047
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2487.995833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.995833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.995833 (E_RNA)
where:
Base-Base interactions energy: -1674.726
where: short stacking energy: -728.386
Base-Backbone interact. energy: -3.431
local terms energy: -809.838738
where:
bonds (distance) C4'-P energy: -153.633
bonds (distance) P-C4' energy: -160.402
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -115.614
tors. eta vs tors. theta energy: -215.810
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: 368
Temperature: 1.050000
Total energy: -2364.563562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.563562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.563562 (E_RNA)
where:
Base-Base interactions energy: -1587.468
where: short stacking energy: -716.855
Base-Backbone interact. energy: -1.701
local terms energy: -775.394972
where:
bonds (distance) C4'-P energy: -135.288
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -174.265
flat angles P-C4'-P energy: -111.278
tors. eta vs tors. theta energy: -217.573
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: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2149.133702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.133702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.133702 (E_RNA)
where:
Base-Base interactions energy: -1434.715
where: short stacking energy: -615.007
Base-Backbone interact. energy: 0.895
local terms energy: -715.313034
where:
bonds (distance) C4'-P energy: -134.151
bonds (distance) P-C4' energy: -151.903
flat angles C4'-P-C4' energy: -165.744
flat angles P-C4'-P energy: -102.444
tors. eta vs tors. theta energy: -161.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2009.702498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.702498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.702498 (E_RNA)
where:
Base-Base interactions energy: -1322.404
where: short stacking energy: -568.575
Base-Backbone interact. energy: 0.270
local terms energy: -687.568091
where:
bonds (distance) C4'-P energy: -136.371
bonds (distance) P-C4' energy: -144.266
flat angles C4'-P-C4' energy: -150.597
flat angles P-C4'-P energy: -85.361
tors. eta vs tors. theta energy: -170.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1950.002442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.002442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.002442 (E_RNA)
where:
Base-Base interactions energy: -1263.510
where: short stacking energy: -561.701
Base-Backbone interact. energy: -2.687
local terms energy: -683.805902
where:
bonds (distance) C4'-P energy: -131.908
bonds (distance) P-C4' energy: -143.046
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -106.543
tors. eta vs tors. theta energy: -135.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1363.477843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.477843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.477843 (E_RNA)
where:
Base-Base interactions energy: -814.702
where: short stacking energy: -392.440
Base-Backbone interact. energy: 3.171
local terms energy: -551.947461
where:
bonds (distance) C4'-P energy: -146.811
bonds (distance) P-C4' energy: -132.056
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -88.438
tors. eta vs tors. theta energy: -62.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1149.647431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.647431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.647431 (E_RNA)
where:
Base-Base interactions energy: -627.497
where: short stacking energy: -315.112
Base-Backbone interact. energy: -0.729
local terms energy: -521.421487
where:
bonds (distance) C4'-P energy: -138.736
bonds (distance) P-C4' energy: -139.632
flat angles C4'-P-C4' energy: -117.034
flat angles P-C4'-P energy: -84.228
tors. eta vs tors. theta energy: -41.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -867.967437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.967437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.967437 (E_RNA)
where:
Base-Base interactions energy: -443.825
where: short stacking energy: -240.724
Base-Backbone interact. energy: -3.053
local terms energy: -421.089536
where:
bonds (distance) C4'-P energy: -126.444
bonds (distance) P-C4' energy: -127.836
flat angles C4'-P-C4' energy: -80.815
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -9.177
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: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2767.400148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.400148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.400148 (E_RNA)
where:
Base-Base interactions energy: -1929.863
where: short stacking energy: -768.867
Base-Backbone interact. energy: -6.289
local terms energy: -831.247520
where:
bonds (distance) C4'-P energy: -160.151
bonds (distance) P-C4' energy: -159.067
flat angles C4'-P-C4' energy: -178.897
flat angles P-C4'-P energy: -128.033
tors. eta vs tors. theta energy: -205.100
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2769.656831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.656831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.656831 (E_RNA)
where:
Base-Base interactions energy: -1939.851
where: short stacking energy: -761.904
Base-Backbone interact. energy: -2.654
local terms energy: -827.151502
where:
bonds (distance) C4'-P energy: -153.851
bonds (distance) P-C4' energy: -147.334
flat angles C4'-P-C4' energy: -185.123
flat angles P-C4'-P energy: -122.990
tors. eta vs tors. theta energy: -217.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2473.273076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.273076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.273076 (E_RNA)
where:
Base-Base interactions energy: -1643.697
where: short stacking energy: -726.751
Base-Backbone interact. energy: -1.536
local terms energy: -828.039430
where:
bonds (distance) C4'-P energy: -166.702
bonds (distance) P-C4' energy: -157.098
flat angles C4'-P-C4' energy: -177.090
flat angles P-C4'-P energy: -111.575
tors. eta vs tors. theta energy: -215.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2345.183820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.183820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.183820 (E_RNA)
where:
Base-Base interactions energy: -1569.974
where: short stacking energy: -688.349
Base-Backbone interact. energy: -1.227
local terms energy: -773.982980
where:
bonds (distance) C4'-P energy: -132.171
bonds (distance) P-C4' energy: -153.391
flat angles C4'-P-C4' energy: -167.894
flat angles P-C4'-P energy: -116.766
tors. eta vs tors. theta energy: -203.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2147.094763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.094763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.094763 (E_RNA)
where:
Base-Base interactions energy: -1437.923
where: short stacking energy: -657.377
Base-Backbone interact. energy: -3.347
local terms energy: -706.340616
where:
bonds (distance) C4'-P energy: -135.768
bonds (distance) P-C4' energy: -128.589
flat angles C4'-P-C4' energy: -150.201
flat angles P-C4'-P energy: -118.924
tors. eta vs tors. theta energy: -172.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2001.987610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.987610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.987610 (E_RNA)
where:
Base-Base interactions energy: -1328.996
where: short stacking energy: -593.101
Base-Backbone interact. energy: -2.425
local terms energy: -670.566605
where:
bonds (distance) C4'-P energy: -122.572
bonds (distance) P-C4' energy: -135.775
flat angles C4'-P-C4' energy: -166.602
flat angles P-C4'-P energy: -85.356
tors. eta vs tors. theta energy: -160.262
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: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1948.446540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.446540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.446540 (E_RNA)
where:
Base-Base interactions energy: -1277.102
where: short stacking energy: -524.397
Base-Backbone interact. energy: -2.770
local terms energy: -668.574270
where:
bonds (distance) C4'-P energy: -149.598
bonds (distance) P-C4' energy: -157.559
flat angles C4'-P-C4' energy: -147.643
flat angles P-C4'-P energy: -82.365
tors. eta vs tors. theta energy: -131.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1425.785984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.785984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.785984 (E_RNA)
where:
Base-Base interactions energy: -889.825
where: short stacking energy: -393.054
Base-Backbone interact. energy: 0.172
local terms energy: -536.132674
where:
bonds (distance) C4'-P energy: -123.656
bonds (distance) P-C4' energy: -131.869
flat angles C4'-P-C4' energy: -118.757
flat angles P-C4'-P energy: -91.136
tors. eta vs tors. theta energy: -70.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1076.418160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.418160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.418160 (E_RNA)
where:
Base-Base interactions energy: -574.402
where: short stacking energy: -279.648
Base-Backbone interact. energy: -3.057
local terms energy: -498.958638
where:
bonds (distance) C4'-P energy: -127.684
bonds (distance) P-C4' energy: -142.067
flat angles C4'-P-C4' energy: -136.775
flat angles P-C4'-P energy: -70.470
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -850.194509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.194509 (E_RNA)
where:
Base-Base interactions energy: -434.555
where: short stacking energy: -228.966
Base-Backbone interact. energy: -1.473
local terms energy: -414.167017
where:
bonds (distance) C4'-P energy: -122.974
bonds (distance) P-C4' energy: -104.555
flat angles C4'-P-C4' energy: -125.054
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: 3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2797.876329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.876329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.876329 (E_RNA)
where:
Base-Base interactions energy: -1938.605
where: short stacking energy: -790.302
Base-Backbone interact. energy: -1.913
local terms energy: -857.357698
where:
bonds (distance) C4'-P energy: -170.731
bonds (distance) P-C4' energy: -167.085
flat angles C4'-P-C4' energy: -177.962
flat angles P-C4'-P energy: -113.331
tors. eta vs tors. theta energy: -228.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2755.298394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.298394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.298394 (E_RNA)
where:
Base-Base interactions energy: -1931.706
where: short stacking energy: -764.683
Base-Backbone interact. energy: 0.769
local terms energy: -824.361322
where:
bonds (distance) C4'-P energy: -162.560
bonds (distance) P-C4' energy: -152.494
flat angles C4'-P-C4' energy: -170.255
flat angles P-C4'-P energy: -113.062
tors. eta vs tors. theta energy: -225.989
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: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2452.075597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.075597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.075597 (E_RNA)
where:
Base-Base interactions energy: -1666.980
where: short stacking energy: -755.773
Base-Backbone interact. energy: -2.444
local terms energy: -782.650677
where:
bonds (distance) C4'-P energy: -157.909
bonds (distance) P-C4' energy: -151.286
flat angles C4'-P-C4' energy: -163.756
flat angles P-C4'-P energy: -106.776
tors. eta vs tors. theta energy: -202.924
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: 370
Temperature: 1.050000
Total energy: -2396.239466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.239466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.239466 (E_RNA)
where:
Base-Base interactions energy: -1616.172
where: short stacking energy: -710.308
Base-Backbone interact. energy: -1.837
local terms energy: -778.230436
where:
bonds (distance) C4'-P energy: -136.896
bonds (distance) P-C4' energy: -157.959
flat angles C4'-P-C4' energy: -158.213
flat angles P-C4'-P energy: -111.688
tors. eta vs tors. theta energy: -213.474
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: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2180.957980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.957980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.957980 (E_RNA)
where:
Base-Base interactions energy: -1443.303
where: short stacking energy: -636.294
Base-Backbone interact. energy: -2.707
local terms energy: -734.948529
where:
bonds (distance) C4'-P energy: -147.739
bonds (distance) P-C4' energy: -144.436
flat angles C4'-P-C4' energy: -149.823
flat angles P-C4'-P energy: -114.937
tors. eta vs tors. theta energy: -178.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2056.681342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.681342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.681342 (E_RNA)
where:
Base-Base interactions energy: -1334.043
where: short stacking energy: -617.292
Base-Backbone interact. energy: 0.066
local terms energy: -722.704667
where:
bonds (distance) C4'-P energy: -145.857
bonds (distance) P-C4' energy: -143.890
flat angles C4'-P-C4' energy: -154.792
flat angles P-C4'-P energy: -107.067
tors. eta vs tors. theta energy: -171.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1944.508613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.508613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.508613 (E_RNA)
where:
Base-Base interactions energy: -1276.479
where: short stacking energy: -542.579
Base-Backbone interact. energy: -1.564
local terms energy: -666.465071
where:
bonds (distance) C4'-P energy: -146.921
bonds (distance) P-C4' energy: -138.112
flat angles C4'-P-C4' energy: -163.938
flat angles P-C4'-P energy: -86.047
tors. eta vs tors. theta energy: -131.446
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1444.259959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.259959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.259959 (E_RNA)
where:
Base-Base interactions energy: -906.971
where: short stacking energy: -418.140
Base-Backbone interact. energy: 0.076
local terms energy: -537.364088
where:
bonds (distance) C4'-P energy: -134.838
bonds (distance) P-C4' energy: -138.374
flat angles C4'-P-C4' energy: -139.978
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -58.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1018.160917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.160917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.160917 (E_RNA)
where:
Base-Base interactions energy: -573.218
where: short stacking energy: -294.467
Base-Backbone interact. energy: 2.739
local terms energy: -447.682900
where:
bonds (distance) C4'-P energy: -121.419
bonds (distance) P-C4' energy: -149.564
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -56.389
tors. eta vs tors. theta energy: -6.438
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: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -860.582526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.582526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.582526 (E_RNA)
where:
Base-Base interactions energy: -439.768
where: short stacking energy: -244.276
Base-Backbone interact. energy: -2.064
local terms energy: -418.750536
where:
bonds (distance) C4'-P energy: -123.370
bonds (distance) P-C4' energy: -133.041
flat angles C4'-P-C4' energy: -116.532
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: 8.966
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: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2803.952932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.952932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.952932 (E_RNA)
where:
Base-Base interactions energy: -1950.312
where: short stacking energy: -778.968
Base-Backbone interact. energy: -4.301
local terms energy: -849.340085
where:
bonds (distance) C4'-P energy: -149.600
bonds (distance) P-C4' energy: -164.485
flat angles C4'-P-C4' energy: -179.118
flat angles P-C4'-P energy: -129.590
tors. eta vs tors. theta energy: -226.547
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: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2717.561809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.561809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.561809 (E_RNA)
where:
Base-Base interactions energy: -1919.227
where: short stacking energy: -773.817
Base-Backbone interact. energy: -0.295
local terms energy: -798.039271
where:
bonds (distance) C4'-P energy: -142.352
bonds (distance) P-C4' energy: -140.544
flat angles C4'-P-C4' energy: -182.130
flat angles P-C4'-P energy: -113.789
tors. eta vs tors. theta energy: -219.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2456.485528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.485528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.485528 (E_RNA)
where:
Base-Base interactions energy: -1680.714
where: short stacking energy: -723.335
Base-Backbone interact. energy: 1.829
local terms energy: -777.687765
where:
bonds (distance) C4'-P energy: -150.719
bonds (distance) P-C4' energy: -139.505
flat angles C4'-P-C4' energy: -170.103
flat angles P-C4'-P energy: -105.251
tors. eta vs tors. theta energy: -212.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2356.268551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.268551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.268551 (E_RNA)
where:
Base-Base interactions energy: -1571.692
where: short stacking energy: -706.558
Base-Backbone interact. energy: 5.934
local terms energy: -790.510587
where:
bonds (distance) C4'-P energy: -149.082
bonds (distance) P-C4' energy: -147.979
flat angles C4'-P-C4' energy: -173.454
flat angles P-C4'-P energy: -98.903
tors. eta vs tors. theta energy: -221.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2139.089209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.089209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.089209 (E_RNA)
where:
Base-Base interactions energy: -1429.468
where: short stacking energy: -617.128
Base-Backbone interact. energy: 1.018
local terms energy: -710.639257
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -154.234
flat angles C4'-P-C4' energy: -148.441
flat angles P-C4'-P energy: -106.735
tors. eta vs tors. theta energy: -162.363
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: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1982.379965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.379965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.379965 (E_RNA)
where:
Base-Base interactions energy: -1327.011
where: short stacking energy: -554.875
Base-Backbone interact. energy: 6.546
local terms energy: -661.915720
where:
bonds (distance) C4'-P energy: -138.930
bonds (distance) P-C4' energy: -132.846
flat angles C4'-P-C4' energy: -166.729
flat angles P-C4'-P energy: -84.836
tors. eta vs tors. theta energy: -138.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1877.950737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.950737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.950737 (E_RNA)
where:
Base-Base interactions energy: -1241.970
where: short stacking energy: -526.659
Base-Backbone interact. energy: -1.138
local terms energy: -634.842692
where:
bonds (distance) C4'-P energy: -118.516
bonds (distance) P-C4' energy: -159.451
flat angles C4'-P-C4' energy: -155.000
flat angles P-C4'-P energy: -87.723
tors. eta vs tors. theta energy: -114.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1477.734809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.734809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.734809 (E_RNA)
where:
Base-Base interactions energy: -895.654
where: short stacking energy: -398.844
Base-Backbone interact. energy: -2.686
local terms energy: -579.394217
where:
bonds (distance) C4'-P energy: -126.799
bonds (distance) P-C4' energy: -155.452
flat angles C4'-P-C4' energy: -128.000
flat angles P-C4'-P energy: -82.694
tors. eta vs tors. theta energy: -86.448
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: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1106.389823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.389823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.389823 (E_RNA)
where:
Base-Base interactions energy: -599.183
where: short stacking energy: -300.537
Base-Backbone interact. energy: -0.024
local terms energy: -507.183007
where:
bonds (distance) C4'-P energy: -132.796
bonds (distance) P-C4' energy: -147.385
flat angles C4'-P-C4' energy: -114.644
flat angles P-C4'-P energy: -71.337
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -844.009566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.009566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.009566 (E_RNA)
where:
Base-Base interactions energy: -415.840
where: short stacking energy: -246.451
Base-Backbone interact. energy: -0.072
local terms energy: -428.096936
where:
bonds (distance) C4'-P energy: -120.259
bonds (distance) P-C4' energy: -124.613
flat angles C4'-P-C4' energy: -110.482
flat angles P-C4'-P energy: -69.326
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2798.712860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.712860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.712860 (E_RNA)
where:
Base-Base interactions energy: -1970.043
where: short stacking energy: -800.714
Base-Backbone interact. energy: -1.317
local terms energy: -827.352920
where:
bonds (distance) C4'-P energy: -146.669
bonds (distance) P-C4' energy: -150.319
flat angles C4'-P-C4' energy: -181.222
flat angles P-C4'-P energy: -127.516
tors. eta vs tors. theta energy: -221.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2737.971419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.971419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.971419 (E_RNA)
where:
Base-Base interactions energy: -1925.486
where: short stacking energy: -766.522
Base-Backbone interact. energy: -2.927
local terms energy: -809.558723
where:
bonds (distance) C4'-P energy: -151.528
bonds (distance) P-C4' energy: -151.096
flat angles C4'-P-C4' energy: -179.423
flat angles P-C4'-P energy: -115.121
tors. eta vs tors. theta energy: -212.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2445.022292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.022292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.022292 (E_RNA)
where:
Base-Base interactions energy: -1640.764
where: short stacking energy: -702.677
Base-Backbone interact. energy: -2.650
local terms energy: -801.607617
where:
bonds (distance) C4'-P energy: -161.965
bonds (distance) P-C4' energy: -155.372
flat angles C4'-P-C4' energy: -170.765
flat angles P-C4'-P energy: -121.544
tors. eta vs tors. theta energy: -191.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2298.377654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.377654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.377654 (E_RNA)
where:
Base-Base interactions energy: -1546.827
where: short stacking energy: -692.031
Base-Backbone interact. energy: -1.158
local terms energy: -750.392845
where:
bonds (distance) C4'-P energy: -145.496
bonds (distance) P-C4' energy: -131.368
flat angles C4'-P-C4' energy: -179.597
flat angles P-C4'-P energy: -92.597
tors. eta vs tors. theta energy: -201.335
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: 372
Temperature: 1.100000
Total energy: -2178.864812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.864812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.864812 (E_RNA)
where:
Base-Base interactions energy: -1492.654
where: short stacking energy: -642.890
Base-Backbone interact. energy: 2.990
local terms energy: -689.201005
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -149.066
flat angles C4'-P-C4' energy: -154.103
flat angles P-C4'-P energy: -80.171
tors. eta vs tors. theta energy: -170.737
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: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2033.510887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.510887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.510887 (E_RNA)
where:
Base-Base interactions energy: -1350.948
where: short stacking energy: -587.879
Base-Backbone interact. energy: -4.128
local terms energy: -678.434508
where:
bonds (distance) C4'-P energy: -145.999
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -161.239
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -156.470
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1969.215284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.215284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.215284 (E_RNA)
where:
Base-Base interactions energy: -1322.289
where: short stacking energy: -546.660
Base-Backbone interact. energy: -0.155
local terms energy: -646.770841
where:
bonds (distance) C4'-P energy: -139.016
bonds (distance) P-C4' energy: -134.810
flat angles C4'-P-C4' energy: -152.391
flat angles P-C4'-P energy: -86.243
tors. eta vs tors. theta energy: -134.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1433.467153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.467153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.467153 (E_RNA)
where:
Base-Base interactions energy: -885.874
where: short stacking energy: -429.001
Base-Backbone interact. energy: 0.819
local terms energy: -548.412009
where:
bonds (distance) C4'-P energy: -132.390
bonds (distance) P-C4' energy: -134.911
flat angles C4'-P-C4' energy: -123.810
flat angles P-C4'-P energy: -74.520
tors. eta vs tors. theta energy: -82.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1085.727551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.727551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.727551 (E_RNA)
where:
Base-Base interactions energy: -589.444
where: short stacking energy: -280.031
Base-Backbone interact. energy: -1.858
local terms energy: -495.003018
where:
bonds (distance) C4'-P energy: -130.735
bonds (distance) P-C4' energy: -147.361
flat angles C4'-P-C4' energy: -105.529
flat angles P-C4'-P energy: -85.132
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.577 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -881.166099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.166099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.166099 (E_RNA)
where:
Base-Base interactions energy: -418.939
where: short stacking energy: -199.957
Base-Backbone interact. energy: 0.165
local terms energy: -462.392749
where:
bonds (distance) C4'-P energy: -134.969
bonds (distance) P-C4' energy: -152.717
flat angles C4'-P-C4' energy: -119.376
flat angles P-C4'-P energy: -78.840
tors. eta vs tors. theta energy: 23.510
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: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2792.076286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.076286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.076286 (E_RNA)
where:
Base-Base interactions energy: -1952.431
where: short stacking energy: -797.849
Base-Backbone interact. energy: -3.891
local terms energy: -835.753915
where:
bonds (distance) C4'-P energy: -151.736
bonds (distance) P-C4' energy: -160.400
flat angles C4'-P-C4' energy: -181.679
flat angles P-C4'-P energy: -120.071
tors. eta vs tors. theta energy: -221.868
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: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2732.767073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.767073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.767073 (E_RNA)
where:
Base-Base interactions energy: -1910.909
where: short stacking energy: -768.034
Base-Backbone interact. energy: -3.241
local terms energy: -818.616796
where:
bonds (distance) C4'-P energy: -163.715
bonds (distance) P-C4' energy: -150.193
flat angles C4'-P-C4' energy: -170.817
flat angles P-C4'-P energy: -108.543
tors. eta vs tors. theta energy: -225.349
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: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2466.919859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.919859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.919859 (E_RNA)
where:
Base-Base interactions energy: -1656.076
where: short stacking energy: -720.415
Base-Backbone interact. energy: -0.521
local terms energy: -810.323493
where:
bonds (distance) C4'-P energy: -150.647
bonds (distance) P-C4' energy: -163.217
flat angles C4'-P-C4' energy: -164.302
flat angles P-C4'-P energy: -114.944
tors. eta vs tors. theta energy: -217.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2310.432255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.432255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.432255 (E_RNA)
where:
Base-Base interactions energy: -1539.298
where: short stacking energy: -693.785
Base-Backbone interact. energy: 0.036
local terms energy: -771.170315
where:
bonds (distance) C4'-P energy: -140.469
bonds (distance) P-C4' energy: -159.042
flat angles C4'-P-C4' energy: -153.623
flat angles P-C4'-P energy: -103.487
tors. eta vs tors. theta energy: -214.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2146.898614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.898614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.898614 (E_RNA)
where:
Base-Base interactions energy: -1426.144
where: short stacking energy: -601.635
Base-Backbone interact. energy: -3.151
local terms energy: -717.603563
where:
bonds (distance) C4'-P energy: -150.601
bonds (distance) P-C4' energy: -132.050
flat angles C4'-P-C4' energy: -163.752
flat angles P-C4'-P energy: -96.591
tors. eta vs tors. theta energy: -174.610
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2055.602393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.602393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.602393 (E_RNA)
where:
Base-Base interactions energy: -1384.490
where: short stacking energy: -606.592
Base-Backbone interact. energy: -3.112
local terms energy: -667.999949
where:
bonds (distance) C4'-P energy: -117.485
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -160.035
flat angles P-C4'-P energy: -100.293
tors. eta vs tors. theta energy: -167.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1991.529723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.529723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.529723 (E_RNA)
where:
Base-Base interactions energy: -1323.532
where: short stacking energy: -573.054
Base-Backbone interact. energy: 0.215
local terms energy: -668.212215
where:
bonds (distance) C4'-P energy: -133.063
bonds (distance) P-C4' energy: -151.694
flat angles C4'-P-C4' energy: -148.033
flat angles P-C4'-P energy: -85.958
tors. eta vs tors. theta energy: -149.463
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: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1406.981903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.981903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.981903 (E_RNA)
where:
Base-Base interactions energy: -865.940
where: short stacking energy: -404.495
Base-Backbone interact. energy: 0.449
local terms energy: -541.490396
where:
bonds (distance) C4'-P energy: -120.403
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -126.161
flat angles P-C4'-P energy: -89.686
tors. eta vs tors. theta energy: -78.319
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1109.115745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.115745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.115745 (E_RNA)
where:
Base-Base interactions energy: -653.206
where: short stacking energy: -304.642
Base-Backbone interact. energy: -3.283
local terms energy: -452.626857
where:
bonds (distance) C4'-P energy: -123.284
bonds (distance) P-C4' energy: -126.558
flat angles C4'-P-C4' energy: -116.710
flat angles P-C4'-P energy: -73.309
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -917.592030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.592030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.592030 (E_RNA)
where:
Base-Base interactions energy: -484.141
where: short stacking energy: -241.779
Base-Backbone interact. energy: 4.370
local terms energy: -437.820869
where:
bonds (distance) C4'-P energy: -122.905
bonds (distance) P-C4' energy: -133.618
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: 13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2804.013672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.013672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.013672 (E_RNA)
where:
Base-Base interactions energy: -1965.904
where: short stacking energy: -796.439
Base-Backbone interact. energy: -3.682
local terms energy: -834.427214
where:
bonds (distance) C4'-P energy: -156.148
bonds (distance) P-C4' energy: -154.708
flat angles C4'-P-C4' energy: -176.937
flat angles P-C4'-P energy: -127.800
tors. eta vs tors. theta energy: -218.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2732.645583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.645583 (E_RNA)
where:
Base-Base interactions energy: -1921.363
where: short stacking energy: -777.164
Base-Backbone interact. energy: -3.678
local terms energy: -807.604851
where:
bonds (distance) C4'-P energy: -156.894
bonds (distance) P-C4' energy: -168.877
flat angles C4'-P-C4' energy: -162.198
flat angles P-C4'-P energy: -110.728
tors. eta vs tors. theta energy: -208.908
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: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2482.020862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.020862 (E_RNA)
where:
Base-Base interactions energy: -1678.157
where: short stacking energy: -726.402
Base-Backbone interact. energy: -2.406
local terms energy: -801.458102
where:
bonds (distance) C4'-P energy: -148.992
bonds (distance) P-C4' energy: -150.992
flat angles C4'-P-C4' energy: -170.358
flat angles P-C4'-P energy: -116.002
tors. eta vs tors. theta energy: -215.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2392.178906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.178906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.178906 (E_RNA)
where:
Base-Base interactions energy: -1592.191
where: short stacking energy: -696.443
Base-Backbone interact. energy: -5.327
local terms energy: -794.660398
where:
bonds (distance) C4'-P energy: -145.408
bonds (distance) P-C4' energy: -162.192
flat angles C4'-P-C4' energy: -175.447
flat angles P-C4'-P energy: -102.088
tors. eta vs tors. theta energy: -209.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2175.451774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.451774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.451774 (E_RNA)
where:
Base-Base interactions energy: -1451.524
where: short stacking energy: -646.658
Base-Backbone interact. energy: -2.378
local terms energy: -721.550282
where:
bonds (distance) C4'-P energy: -136.949
bonds (distance) P-C4' energy: -126.383
flat angles C4'-P-C4' energy: -175.147
flat angles P-C4'-P energy: -109.508
tors. eta vs tors. theta energy: -173.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2122.155563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.155563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.155563 (E_RNA)
where:
Base-Base interactions energy: -1407.489
where: short stacking energy: -610.152
Base-Backbone interact. energy: 2.663
local terms energy: -717.329189
where:
bonds (distance) C4'-P energy: -141.721
bonds (distance) P-C4' energy: -133.863
flat angles C4'-P-C4' energy: -164.262
flat angles P-C4'-P energy: -114.051
tors. eta vs tors. theta energy: -163.432
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: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1956.355443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.355443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.355443 (E_RNA)
where:
Base-Base interactions energy: -1288.410
where: short stacking energy: -564.641
Base-Backbone interact. energy: -1.478
local terms energy: -666.466948
where:
bonds (distance) C4'-P energy: -126.625
bonds (distance) P-C4' energy: -135.808
flat angles C4'-P-C4' energy: -157.692
flat angles P-C4'-P energy: -103.492
tors. eta vs tors. theta energy: -142.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1430.220811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.220811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.220811 (E_RNA)
where:
Base-Base interactions energy: -855.378
where: short stacking energy: -373.804
Base-Backbone interact. energy: -0.888
local terms energy: -573.954972
where:
bonds (distance) C4'-P energy: -144.863
bonds (distance) P-C4' energy: -132.556
flat angles C4'-P-C4' energy: -143.801
flat angles P-C4'-P energy: -73.760
tors. eta vs tors. theta energy: -78.975
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1064.688744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.688744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.688744 (E_RNA)
where:
Base-Base interactions energy: -600.725
where: short stacking energy: -297.069
Base-Backbone interact. energy: -1.671
local terms energy: -462.292795
where:
bonds (distance) C4'-P energy: -130.561
bonds (distance) P-C4' energy: -144.921
flat angles C4'-P-C4' energy: -113.057
flat angles P-C4'-P energy: -66.437
tors. eta vs tors. theta energy: -7.318
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: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -844.275736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.275736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.275736 (E_RNA)
where:
Base-Base interactions energy: -427.669
where: short stacking energy: -230.046
Base-Backbone interact. energy: -4.912
local terms energy: -411.694283
where:
bonds (distance) C4'-P energy: -146.536
bonds (distance) P-C4' energy: -127.344
flat angles C4'-P-C4' energy: -88.193
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: 12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2838.572304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.572304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.572304 (E_RNA)
where:
Base-Base interactions energy: -2002.603
where: short stacking energy: -814.896
Base-Backbone interact. energy: 2.951
local terms energy: -838.920319
where:
bonds (distance) C4'-P energy: -163.066
bonds (distance) P-C4' energy: -155.994
flat angles C4'-P-C4' energy: -177.470
flat angles P-C4'-P energy: -123.947
tors. eta vs tors. theta energy: -218.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2688.762957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.762957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.762957 (E_RNA)
where:
Base-Base interactions energy: -1882.120
where: short stacking energy: -757.173
Base-Backbone interact. energy: -6.278
local terms energy: -800.365223
where:
bonds (distance) C4'-P energy: -151.959
bonds (distance) P-C4' energy: -156.948
flat angles C4'-P-C4' energy: -173.563
flat angles P-C4'-P energy: -108.018
tors. eta vs tors. theta energy: -209.878
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: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2464.839277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.839277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.839277 (E_RNA)
where:
Base-Base interactions energy: -1680.297
where: short stacking energy: -741.037
Base-Backbone interact. energy: -4.284
local terms energy: -780.259014
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -146.725
flat angles C4'-P-C4' energy: -170.051
flat angles P-C4'-P energy: -106.421
tors. eta vs tors. theta energy: -216.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2362.862107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.862107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.862107 (E_RNA)
where:
Base-Base interactions energy: -1558.761
where: short stacking energy: -685.317
Base-Backbone interact. energy: -0.077
local terms energy: -804.024009
where:
bonds (distance) C4'-P energy: -152.001
bonds (distance) P-C4' energy: -162.868
flat angles C4'-P-C4' energy: -175.390
flat angles P-C4'-P energy: -110.022
tors. eta vs tors. theta energy: -203.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2157.627687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.627687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.627687 (E_RNA)
where:
Base-Base interactions energy: -1442.562
where: short stacking energy: -617.618
Base-Backbone interact. energy: -1.021
local terms energy: -714.044397
where:
bonds (distance) C4'-P energy: -125.330
bonds (distance) P-C4' energy: -149.059
flat angles C4'-P-C4' energy: -160.776
flat angles P-C4'-P energy: -108.897
tors. eta vs tors. theta energy: -169.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2094.631106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.631106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.631106 (E_RNA)
where:
Base-Base interactions energy: -1430.342
where: short stacking energy: -610.778
Base-Backbone interact. energy: -4.122
local terms energy: -660.167652
where:
bonds (distance) C4'-P energy: -136.431
bonds (distance) P-C4' energy: -138.245
flat angles C4'-P-C4' energy: -151.589
flat angles P-C4'-P energy: -83.642
tors. eta vs tors. theta energy: -150.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1852.794024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.794024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.794024 (E_RNA)
where:
Base-Base interactions energy: -1204.154
where: short stacking energy: -540.298
Base-Backbone interact. energy: -1.254
local terms energy: -647.386035
where:
bonds (distance) C4'-P energy: -131.132
bonds (distance) P-C4' energy: -121.546
flat angles C4'-P-C4' energy: -163.382
flat angles P-C4'-P energy: -94.354
tors. eta vs tors. theta energy: -136.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1428.230542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.230542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.230542 (E_RNA)
where:
Base-Base interactions energy: -867.480
where: short stacking energy: -391.367
Base-Backbone interact. energy: -3.196
local terms energy: -557.555140
where:
bonds (distance) C4'-P energy: -130.618
bonds (distance) P-C4' energy: -157.310
flat angles C4'-P-C4' energy: -114.355
flat angles P-C4'-P energy: -89.792
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1092.291068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.291068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.291068 (E_RNA)
where:
Base-Base interactions energy: -603.362
where: short stacking energy: -301.546
Base-Backbone interact. energy: -2.330
local terms energy: -486.598647
where:
bonds (distance) C4'-P energy: -121.677
bonds (distance) P-C4' energy: -151.165
flat angles C4'-P-C4' energy: -121.692
flat angles P-C4'-P energy: -64.795
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -859.358942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.358942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.358942 (E_RNA)
where:
Base-Base interactions energy: -422.481
where: short stacking energy: -232.799
Base-Backbone interact. energy: -0.648
local terms energy: -436.229956
where:
bonds (distance) C4'-P energy: -116.261
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -118.793
flat angles P-C4'-P energy: -72.691
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2858.512376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.512376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.512376 (E_RNA)
where:
Base-Base interactions energy: -1985.981
where: short stacking energy: -792.470
Base-Backbone interact. energy: -0.521
local terms energy: -872.010508
where:
bonds (distance) C4'-P energy: -161.950
bonds (distance) P-C4' energy: -161.856
flat angles C4'-P-C4' energy: -195.816
flat angles P-C4'-P energy: -129.131
tors. eta vs tors. theta energy: -223.257
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: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2748.215845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.215845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.215845 (E_RNA)
where:
Base-Base interactions energy: -1926.819
where: short stacking energy: -782.808
Base-Backbone interact. energy: -5.729
local terms energy: -815.668448
where:
bonds (distance) C4'-P energy: -141.957
bonds (distance) P-C4' energy: -160.992
flat angles C4'-P-C4' energy: -174.453
flat angles P-C4'-P energy: -116.882
tors. eta vs tors. theta energy: -221.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2494.458533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.458533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.458533 (E_RNA)
where:
Base-Base interactions energy: -1648.171
where: short stacking energy: -737.015
Base-Backbone interact. energy: -3.445
local terms energy: -842.842280
where:
bonds (distance) C4'-P energy: -151.876
bonds (distance) P-C4' energy: -164.449
flat angles C4'-P-C4' energy: -184.571
flat angles P-C4'-P energy: -120.754
tors. eta vs tors. theta energy: -221.192
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: 376
Temperature: 1.050000
Total energy: -2317.390810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.390810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.390810 (E_RNA)
where:
Base-Base interactions energy: -1555.511
where: short stacking energy: -676.762
Base-Backbone interact. energy: 0.375
local terms energy: -763.572400
where:
bonds (distance) C4'-P energy: -133.410
bonds (distance) P-C4' energy: -150.099
flat angles C4'-P-C4' energy: -168.178
flat angles P-C4'-P energy: -104.910
tors. eta vs tors. theta energy: -206.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.318 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2128.519112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.519112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.519112 (E_RNA)
where:
Base-Base interactions energy: -1395.426
where: short stacking energy: -618.316
Base-Backbone interact. energy: -0.444
local terms energy: -732.648672
where:
bonds (distance) C4'-P energy: -142.463
bonds (distance) P-C4' energy: -150.031
flat angles C4'-P-C4' energy: -159.420
flat angles P-C4'-P energy: -105.445
tors. eta vs tors. theta energy: -175.290
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2080.626470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.626470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.626470 (E_RNA)
where:
Base-Base interactions energy: -1364.558
where: short stacking energy: -593.598
Base-Backbone interact. energy: 0.424
local terms energy: -716.491990
where:
bonds (distance) C4'-P energy: -150.555
bonds (distance) P-C4' energy: -147.033
flat angles C4'-P-C4' energy: -151.138
flat angles P-C4'-P energy: -95.167
tors. eta vs tors. theta energy: -172.598
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1799.949874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.949874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.949874 (E_RNA)
where:
Base-Base interactions energy: -1190.671
where: short stacking energy: -523.891
Base-Backbone interact. energy: -3.784
local terms energy: -605.494252
where:
bonds (distance) C4'-P energy: -128.099
bonds (distance) P-C4' energy: -125.296
flat angles C4'-P-C4' energy: -138.565
flat angles P-C4'-P energy: -89.501
tors. eta vs tors. theta energy: -124.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1409.764660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.764660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.764660 (E_RNA)
where:
Base-Base interactions energy: -912.378
where: short stacking energy: -418.305
Base-Backbone interact. energy: -2.867
local terms energy: -494.520548
where:
bonds (distance) C4'-P energy: -109.604
bonds (distance) P-C4' energy: -116.717
flat angles C4'-P-C4' energy: -119.148
flat angles P-C4'-P energy: -80.681
tors. eta vs tors. theta energy: -68.370
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: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1114.271790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.271790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.271790 (E_RNA)
where:
Base-Base interactions energy: -614.394
where: short stacking energy: -312.033
Base-Backbone interact. energy: 2.472
local terms energy: -502.350599
where:
bonds (distance) C4'-P energy: -114.497
bonds (distance) P-C4' energy: -135.573
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -90.109
tors. eta vs tors. theta energy: -46.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -811.871599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.871599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.871599 (E_RNA)
where:
Base-Base interactions energy: -379.693
where: short stacking energy: -220.833
Base-Backbone interact. energy: -3.137
local terms energy: -429.041247
where:
bonds (distance) C4'-P energy: -128.582
bonds (distance) P-C4' energy: -148.136
flat angles C4'-P-C4' energy: -101.489
flat angles P-C4'-P energy: -60.248
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2816.277617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.277617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.277617 (E_RNA)
where:
Base-Base interactions energy: -1964.347
where: short stacking energy: -785.833
Base-Backbone interact. energy: -4.694
local terms energy: -847.236661
where:
bonds (distance) C4'-P energy: -161.582
bonds (distance) P-C4' energy: -168.505
flat angles C4'-P-C4' energy: -180.903
flat angles P-C4'-P energy: -114.840
tors. eta vs tors. theta energy: -221.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2725.857504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.857504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.857504 (E_RNA)
where:
Base-Base interactions energy: -1897.829
where: short stacking energy: -781.601
Base-Backbone interact. energy: -0.762
local terms energy: -827.266795
where:
bonds (distance) C4'-P energy: -161.223
bonds (distance) P-C4' energy: -162.520
flat angles C4'-P-C4' energy: -174.801
flat angles P-C4'-P energy: -113.131
tors. eta vs tors. theta energy: -215.593
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: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2487.312048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.312048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.312048 (E_RNA)
where:
Base-Base interactions energy: -1666.677
where: short stacking energy: -734.326
Base-Backbone interact. energy: 2.358
local terms energy: -822.992961
where:
bonds (distance) C4'-P energy: -165.027
bonds (distance) P-C4' energy: -155.721
flat angles C4'-P-C4' energy: -164.999
flat angles P-C4'-P energy: -117.703
tors. eta vs tors. theta energy: -219.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2321.819290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.819290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.819290 (E_RNA)
where:
Base-Base interactions energy: -1533.344
where: short stacking energy: -686.801
Base-Backbone interact. energy: -1.830
local terms energy: -786.645163
where:
bonds (distance) C4'-P energy: -149.453
bonds (distance) P-C4' energy: -160.259
flat angles C4'-P-C4' energy: -170.315
flat angles P-C4'-P energy: -100.262
tors. eta vs tors. theta energy: -206.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2165.957848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.957848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.957848 (E_RNA)
where:
Base-Base interactions energy: -1441.340
where: short stacking energy: -627.082
Base-Backbone interact. energy: -4.459
local terms energy: -720.158535
where:
bonds (distance) C4'-P energy: -135.122
bonds (distance) P-C4' energy: -127.006
flat angles C4'-P-C4' energy: -156.276
flat angles P-C4'-P energy: -123.558
tors. eta vs tors. theta energy: -178.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2133.528477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.528477 (E_RNA)
where:
Base-Base interactions energy: -1421.294
where: short stacking energy: -592.719
Base-Backbone interact. energy: 1.574
local terms energy: -713.808480
where:
bonds (distance) C4'-P energy: -154.866
bonds (distance) P-C4' energy: -147.016
flat angles C4'-P-C4' energy: -150.194
flat angles P-C4'-P energy: -110.416
tors. eta vs tors. theta energy: -151.316
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1838.277941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.277941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.277941 (E_RNA)
where:
Base-Base interactions energy: -1218.770
where: short stacking energy: -538.552
Base-Backbone interact. energy: -2.307
local terms energy: -617.200405
where:
bonds (distance) C4'-P energy: -147.943
bonds (distance) P-C4' energy: -120.060
flat angles C4'-P-C4' energy: -127.942
flat angles P-C4'-P energy: -95.940
tors. eta vs tors. theta energy: -125.315
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1427.443792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.443792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.443792 (E_RNA)
where:
Base-Base interactions energy: -885.491
where: short stacking energy: -402.583
Base-Backbone interact. energy: -2.457
local terms energy: -539.495443
where:
bonds (distance) C4'-P energy: -137.723
bonds (distance) P-C4' energy: -133.250
flat angles C4'-P-C4' energy: -130.808
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -58.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1077.531677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.531677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.531677 (E_RNA)
where:
Base-Base interactions energy: -628.914
where: short stacking energy: -316.119
Base-Backbone interact. energy: -2.004
local terms energy: -446.614070
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -121.612
flat angles C4'-P-C4' energy: -114.675
flat angles P-C4'-P energy: -79.662
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -846.744637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.744637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.744637 (E_RNA)
where:
Base-Base interactions energy: -395.546
where: short stacking energy: -213.652
Base-Backbone interact. energy: -4.118
local terms energy: -447.080338
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -134.178
flat angles C4'-P-C4' energy: -124.309
flat angles P-C4'-P energy: -70.075
tors. eta vs tors. theta energy: 18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2832.209559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.209559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.209559 (E_RNA)
where:
Base-Base interactions energy: -1957.297
where: short stacking energy: -783.159
Base-Backbone interact. energy: -4.707
local terms energy: -870.205767
where:
bonds (distance) C4'-P energy: -177.560
bonds (distance) P-C4' energy: -160.221
flat angles C4'-P-C4' energy: -183.705
flat angles P-C4'-P energy: -123.385
tors. eta vs tors. theta energy: -225.334
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: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2740.475521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.475521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.475521 (E_RNA)
where:
Base-Base interactions energy: -1901.004
where: short stacking energy: -775.222
Base-Backbone interact. energy: -6.373
local terms energy: -833.098409
where:
bonds (distance) C4'-P energy: -149.496
bonds (distance) P-C4' energy: -152.924
flat angles C4'-P-C4' energy: -181.727
flat angles P-C4'-P energy: -133.294
tors. eta vs tors. theta energy: -215.658
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2515.980452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.980452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.980452 (E_RNA)
where:
Base-Base interactions energy: -1744.959
where: short stacking energy: -747.692
Base-Backbone interact. energy: -3.636
local terms energy: -767.386284
where:
bonds (distance) C4'-P energy: -130.615
bonds (distance) P-C4' energy: -157.556
flat angles C4'-P-C4' energy: -147.945
flat angles P-C4'-P energy: -113.334
tors. eta vs tors. theta energy: -217.937
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: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2369.705808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.705808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.705808 (E_RNA)
where:
Base-Base interactions energy: -1562.955
where: short stacking energy: -693.068
Base-Backbone interact. energy: 0.934
local terms energy: -807.684271
where:
bonds (distance) C4'-P energy: -144.852
bonds (distance) P-C4' energy: -152.812
flat angles C4'-P-C4' energy: -173.494
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -227.959
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: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2195.956833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.956833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.956833 (E_RNA)
where:
Base-Base interactions energy: -1450.446
where: short stacking energy: -639.538
Base-Backbone interact. energy: -1.363
local terms energy: -744.148051
where:
bonds (distance) C4'-P energy: -154.104
bonds (distance) P-C4' energy: -129.395
flat angles C4'-P-C4' energy: -162.535
flat angles P-C4'-P energy: -103.226
tors. eta vs tors. theta energy: -194.888
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: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2093.273067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.273067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.273067 (E_RNA)
where:
Base-Base interactions energy: -1378.218
where: short stacking energy: -613.294
Base-Backbone interact. energy: -0.562
local terms energy: -714.493835
where:
bonds (distance) C4'-P energy: -144.524
bonds (distance) P-C4' energy: -134.388
flat angles C4'-P-C4' energy: -167.963
flat angles P-C4'-P energy: -92.278
tors. eta vs tors. theta energy: -175.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1808.067746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.067746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.067746 (E_RNA)
where:
Base-Base interactions energy: -1178.610
where: short stacking energy: -521.703
Base-Backbone interact. energy: 0.298
local terms energy: -629.755664
where:
bonds (distance) C4'-P energy: -119.305
bonds (distance) P-C4' energy: -146.485
flat angles C4'-P-C4' energy: -144.500
flat angles P-C4'-P energy: -84.917
tors. eta vs tors. theta energy: -134.549
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: 378
Temperature: 1.250000
Total energy: -1408.221812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.221812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.221812 (E_RNA)
where:
Base-Base interactions energy: -850.501
where: short stacking energy: -380.868
Base-Backbone interact. energy: 0.091
local terms energy: -557.811751
where:
bonds (distance) C4'-P energy: -132.090
bonds (distance) P-C4' energy: -134.978
flat angles C4'-P-C4' energy: -147.781
flat angles P-C4'-P energy: -91.236
tors. eta vs tors. theta energy: -51.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1005.239137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.239137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.239137 (E_RNA)
where:
Base-Base interactions energy: -543.626
where: short stacking energy: -251.587
Base-Backbone interact. energy: -3.260
local terms energy: -458.353383
where:
bonds (distance) C4'-P energy: -121.774
bonds (distance) P-C4' energy: -129.484
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -63.410
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -863.264834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.264834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.264834 (E_RNA)
where:
Base-Base interactions energy: -422.064
where: short stacking energy: -232.151
Base-Backbone interact. energy: 2.326
local terms energy: -443.527381
where:
bonds (distance) C4'-P energy: -118.433
bonds (distance) P-C4' energy: -133.650
flat angles C4'-P-C4' energy: -123.036
flat angles P-C4'-P energy: -70.998
tors. eta vs tors. theta energy: 2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2853.301733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.301733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.301733 (E_RNA)
where:
Base-Base interactions energy: -1999.474
where: short stacking energy: -808.375
Base-Backbone interact. energy: -1.980
local terms energy: -851.847720
where:
bonds (distance) C4'-P energy: -157.537
bonds (distance) P-C4' energy: -172.170
flat angles C4'-P-C4' energy: -173.926
flat angles P-C4'-P energy: -123.132
tors. eta vs tors. theta energy: -225.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2730.990021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.990021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.990021 (E_RNA)
where:
Base-Base interactions energy: -1908.643
where: short stacking energy: -757.006
Base-Backbone interact. energy: -0.149
local terms energy: -822.198332
where:
bonds (distance) C4'-P energy: -144.325
bonds (distance) P-C4' energy: -171.403
flat angles C4'-P-C4' energy: -181.632
flat angles P-C4'-P energy: -108.574
tors. eta vs tors. theta energy: -216.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2490.357889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.357889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.357889 (E_RNA)
where:
Base-Base interactions energy: -1697.104
where: short stacking energy: -731.549
Base-Backbone interact. energy: -3.906
local terms energy: -789.347560
where:
bonds (distance) C4'-P energy: -146.663
bonds (distance) P-C4' energy: -154.042
flat angles C4'-P-C4' energy: -168.527
flat angles P-C4'-P energy: -113.408
tors. eta vs tors. theta energy: -206.709
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2373.317468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.317468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.317468 (E_RNA)
where:
Base-Base interactions energy: -1589.489
where: short stacking energy: -697.579
Base-Backbone interact. energy: -1.962
local terms energy: -781.865619
where:
bonds (distance) C4'-P energy: -152.794
bonds (distance) P-C4' energy: -136.903
flat angles C4'-P-C4' energy: -172.524
flat angles P-C4'-P energy: -106.262
tors. eta vs tors. theta energy: -213.383
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2304.673410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.673410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.673410 (E_RNA)
where:
Base-Base interactions energy: -1526.322
where: short stacking energy: -664.961
Base-Backbone interact. energy: -1.744
local terms energy: -776.607874
where:
bonds (distance) C4'-P energy: -137.230
bonds (distance) P-C4' energy: -154.602
flat angles C4'-P-C4' energy: -172.229
flat angles P-C4'-P energy: -115.849
tors. eta vs tors. theta energy: -196.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2074.014233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.014233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.014233 (E_RNA)
where:
Base-Base interactions energy: -1393.431
where: short stacking energy: -580.810
Base-Backbone interact. energy: -4.413
local terms energy: -676.170259
where:
bonds (distance) C4'-P energy: -131.290
bonds (distance) P-C4' energy: -156.508
flat angles C4'-P-C4' energy: -143.712
flat angles P-C4'-P energy: -91.316
tors. eta vs tors. theta energy: -153.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1850.513100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.513100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.513100 (E_RNA)
where:
Base-Base interactions energy: -1213.865
where: short stacking energy: -534.352
Base-Backbone interact. energy: -1.759
local terms energy: -634.889518
where:
bonds (distance) C4'-P energy: -136.284
bonds (distance) P-C4' energy: -143.860
flat angles C4'-P-C4' energy: -140.366
flat angles P-C4'-P energy: -79.172
tors. eta vs tors. theta energy: -135.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1318.507064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.507064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.507064 (E_RNA)
where:
Base-Base interactions energy: -735.033
where: short stacking energy: -373.395
Base-Backbone interact. energy: 1.106
local terms energy: -584.579617
where:
bonds (distance) C4'-P energy: -129.096
bonds (distance) P-C4' energy: -134.955
flat angles C4'-P-C4' energy: -132.679
flat angles P-C4'-P energy: -104.481
tors. eta vs tors. theta energy: -83.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1018.545613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.545613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.545613 (E_RNA)
where:
Base-Base interactions energy: -531.066
where: short stacking energy: -286.486
Base-Backbone interact. energy: 3.749
local terms energy: -491.228565
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -146.528
flat angles C4'-P-C4' energy: -131.693
flat angles P-C4'-P energy: -70.837
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: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -909.533308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.533308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.533308 (E_RNA)
where:
Base-Base interactions energy: -484.733
where: short stacking energy: -228.153
Base-Backbone interact. energy: 1.906
local terms energy: -426.706793
where:
bonds (distance) C4'-P energy: -134.919
bonds (distance) P-C4' energy: -128.931
flat angles C4'-P-C4' energy: -101.380
flat angles P-C4'-P energy: -67.719
tors. eta vs tors. theta energy: 6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2839.795036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.795036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.795036 (E_RNA)
where:
Base-Base interactions energy: -1996.565
where: short stacking energy: -796.701
Base-Backbone interact. energy: -4.618
local terms energy: -838.612313
where:
bonds (distance) C4'-P energy: -138.386
bonds (distance) P-C4' energy: -176.675
flat angles C4'-P-C4' energy: -175.843
flat angles P-C4'-P energy: -113.910
tors. eta vs tors. theta energy: -233.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2737.556336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.556336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.556336 (E_RNA)
where:
Base-Base interactions energy: -1901.759
where: short stacking energy: -758.842
Base-Backbone interact. energy: -6.233
local terms energy: -829.564556
where:
bonds (distance) C4'-P energy: -162.781
bonds (distance) P-C4' energy: -160.432
flat angles C4'-P-C4' energy: -163.540
flat angles P-C4'-P energy: -122.942
tors. eta vs tors. theta energy: -219.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2504.000628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.000628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.000628 (E_RNA)
where:
Base-Base interactions energy: -1714.317
where: short stacking energy: -726.517
Base-Backbone interact. energy: -5.331
local terms energy: -784.352866
where:
bonds (distance) C4'-P energy: -135.484
bonds (distance) P-C4' energy: -152.753
flat angles C4'-P-C4' energy: -172.373
flat angles P-C4'-P energy: -114.241
tors. eta vs tors. theta energy: -209.500
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: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2327.955628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.955628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.955628 (E_RNA)
where:
Base-Base interactions energy: -1538.071
where: short stacking energy: -705.308
Base-Backbone interact. energy: -0.394
local terms energy: -789.490614
where:
bonds (distance) C4'-P energy: -142.983
bonds (distance) P-C4' energy: -172.659
flat angles C4'-P-C4' energy: -163.143
flat angles P-C4'-P energy: -101.297
tors. eta vs tors. theta energy: -209.410
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: 380
Temperature: 1.100000
Total energy: -2203.328144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.328144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.328144 (E_RNA)
where:
Base-Base interactions energy: -1467.759
where: short stacking energy: -643.286
Base-Backbone interact. energy: -2.579
local terms energy: -732.989690
where:
bonds (distance) C4'-P energy: -155.163
bonds (distance) P-C4' energy: -152.949
flat angles C4'-P-C4' energy: -148.150
flat angles P-C4'-P energy: -105.687
tors. eta vs tors. theta energy: -171.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2084.927305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.927305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.927305 (E_RNA)
where:
Base-Base interactions energy: -1400.760
where: short stacking energy: -619.551
Base-Backbone interact. energy: -5.353
local terms energy: -678.814391
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -133.723
flat angles C4'-P-C4' energy: -161.456
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -178.169
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: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1843.978132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.978132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.978132 (E_RNA)
where:
Base-Base interactions energy: -1223.292
where: short stacking energy: -544.937
Base-Backbone interact. energy: 4.352
local terms energy: -625.038232
where:
bonds (distance) C4'-P energy: -138.730
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -149.916
flat angles P-C4'-P energy: -85.791
tors. eta vs tors. theta energy: -129.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1381.190871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.190871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.190871 (E_RNA)
where:
Base-Base interactions energy: -847.201
where: short stacking energy: -364.670
Base-Backbone interact. energy: -4.031
local terms energy: -529.959317
where:
bonds (distance) C4'-P energy: -121.512
bonds (distance) P-C4' energy: -125.132
flat angles C4'-P-C4' energy: -145.626
flat angles P-C4'-P energy: -77.717
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1077.720433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.720433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.720433 (E_RNA)
where:
Base-Base interactions energy: -578.298
where: short stacking energy: -304.378
Base-Backbone interact. energy: -0.439
local terms energy: -499.539379
where:
bonds (distance) C4'-P energy: -127.006
bonds (distance) P-C4' energy: -152.908
flat angles C4'-P-C4' energy: -117.706
flat angles P-C4'-P energy: -76.333
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.556 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -892.401615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.401615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.401615 (E_RNA)
where:
Base-Base interactions energy: -462.716
where: short stacking energy: -228.219
Base-Backbone interact. energy: -1.484
local terms energy: -428.202418
where:
bonds (distance) C4'-P energy: -124.104
bonds (distance) P-C4' energy: -121.939
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: 2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2851.840756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.840756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.840756 (E_RNA)
where:
Base-Base interactions energy: -1969.015
where: short stacking energy: -800.155
Base-Backbone interact. energy: -4.768
local terms energy: -878.058008
where:
bonds (distance) C4'-P energy: -159.326
bonds (distance) P-C4' energy: -178.881
flat angles C4'-P-C4' energy: -194.336
flat angles P-C4'-P energy: -113.721
tors. eta vs tors. theta energy: -231.795
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: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2698.836401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.836401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.836401 (E_RNA)
where:
Base-Base interactions energy: -1891.399
where: short stacking energy: -777.614
Base-Backbone interact. energy: -5.832
local terms energy: -801.604680
where:
bonds (distance) C4'-P energy: -149.434
bonds (distance) P-C4' energy: -161.762
flat angles C4'-P-C4' energy: -173.141
flat angles P-C4'-P energy: -111.266
tors. eta vs tors. theta energy: -206.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2495.016463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.016463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.016463 (E_RNA)
where:
Base-Base interactions energy: -1689.552
where: short stacking energy: -731.064
Base-Backbone interact. energy: -2.122
local terms energy: -803.342688
where:
bonds (distance) C4'-P energy: -143.287
bonds (distance) P-C4' energy: -147.914
flat angles C4'-P-C4' energy: -174.526
flat angles P-C4'-P energy: -127.626
tors. eta vs tors. theta energy: -209.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2323.941153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.941153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.941153 (E_RNA)
where:
Base-Base interactions energy: -1532.037
where: short stacking energy: -682.779
Base-Backbone interact. energy: -1.768
local terms energy: -790.136073
where:
bonds (distance) C4'-P energy: -152.640
bonds (distance) P-C4' energy: -138.582
flat angles C4'-P-C4' energy: -183.733
flat angles P-C4'-P energy: -106.169
tors. eta vs tors. theta energy: -209.011
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: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2145.273137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.273137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.273137 (E_RNA)
where:
Base-Base interactions energy: -1427.805
where: short stacking energy: -629.012
Base-Backbone interact. energy: -0.914
local terms energy: -716.553282
where:
bonds (distance) C4'-P energy: -136.248
bonds (distance) P-C4' energy: -130.233
flat angles C4'-P-C4' energy: -161.521
flat angles P-C4'-P energy: -99.454
tors. eta vs tors. theta energy: -189.097
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: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2098.163308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.163308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.163308 (E_RNA)
where:
Base-Base interactions energy: -1369.138
where: short stacking energy: -619.336
Base-Backbone interact. energy: -2.943
local terms energy: -726.082152
where:
bonds (distance) C4'-P energy: -147.851
bonds (distance) P-C4' energy: -150.293
flat angles C4'-P-C4' energy: -163.070
flat angles P-C4'-P energy: -90.236
tors. eta vs tors. theta energy: -174.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1791.588109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.588109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.588109 (E_RNA)
where:
Base-Base interactions energy: -1159.389
where: short stacking energy: -525.199
Base-Backbone interact. energy: 0.208
local terms energy: -632.407234
where:
bonds (distance) C4'-P energy: -133.968
bonds (distance) P-C4' energy: -129.004
flat angles C4'-P-C4' energy: -148.715
flat angles P-C4'-P energy: -80.603
tors. eta vs tors. theta energy: -140.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1328.909170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.909170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.909170 (E_RNA)
where:
Base-Base interactions energy: -765.542
where: short stacking energy: -340.909
Base-Backbone interact. energy: 1.872
local terms energy: -565.238399
where:
bonds (distance) C4'-P energy: -136.069
bonds (distance) P-C4' energy: -141.307
flat angles C4'-P-C4' energy: -134.589
flat angles P-C4'-P energy: -96.427
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: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1046.072697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.072697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.072697 (E_RNA)
where:
Base-Base interactions energy: -579.985
where: short stacking energy: -283.181
Base-Backbone interact. energy: 1.623
local terms energy: -467.709935
where:
bonds (distance) C4'-P energy: -135.714
bonds (distance) P-C4' energy: -132.074
flat angles C4'-P-C4' energy: -107.495
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -741.939515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.939515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.939515 (E_RNA)
where:
Base-Base interactions energy: -353.414
where: short stacking energy: -214.667
Base-Backbone interact. energy: 8.360
local terms energy: -396.885742
where:
bonds (distance) C4'-P energy: -123.511
bonds (distance) P-C4' energy: -136.975
flat angles C4'-P-C4' energy: -90.110
flat angles P-C4'-P energy: -64.607
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: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2852.313135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.313135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.313135 (E_RNA)
where:
Base-Base interactions energy: -2006.633
where: short stacking energy: -802.486
Base-Backbone interact. energy: -0.703
local terms energy: -844.977756
where:
bonds (distance) C4'-P energy: -151.411
bonds (distance) P-C4' energy: -152.869
flat angles C4'-P-C4' energy: -178.271
flat angles P-C4'-P energy: -132.237
tors. eta vs tors. theta energy: -230.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2693.026302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.026302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.026302 (E_RNA)
where:
Base-Base interactions energy: -1863.002
where: short stacking energy: -746.435
Base-Backbone interact. energy: -6.882
local terms energy: -823.141826
where:
bonds (distance) C4'-P energy: -149.298
bonds (distance) P-C4' energy: -160.134
flat angles C4'-P-C4' energy: -163.369
flat angles P-C4'-P energy: -131.921
tors. eta vs tors. theta energy: -218.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2501.839000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.839000 (E_RNA)
where:
Base-Base interactions energy: -1688.106
where: short stacking energy: -721.846
Base-Backbone interact. energy: -2.439
local terms energy: -811.294114
where:
bonds (distance) C4'-P energy: -155.426
bonds (distance) P-C4' energy: -144.149
flat angles C4'-P-C4' energy: -170.746
flat angles P-C4'-P energy: -122.677
tors. eta vs tors. theta energy: -218.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2324.906011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.906011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.906011 (E_RNA)
where:
Base-Base interactions energy: -1541.218
where: short stacking energy: -671.532
Base-Backbone interact. energy: -2.143
local terms energy: -781.545254
where:
bonds (distance) C4'-P energy: -145.175
bonds (distance) P-C4' energy: -143.350
flat angles C4'-P-C4' energy: -178.802
flat angles P-C4'-P energy: -118.203
tors. eta vs tors. theta energy: -196.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2159.208614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.208614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.208614 (E_RNA)
where:
Base-Base interactions energy: -1442.307
where: short stacking energy: -627.181
Base-Backbone interact. energy: -1.652
local terms energy: -715.250300
where:
bonds (distance) C4'-P energy: -148.863
bonds (distance) P-C4' energy: -141.960
flat angles C4'-P-C4' energy: -157.262
flat angles P-C4'-P energy: -96.521
tors. eta vs tors. theta energy: -170.644
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2056.818291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.818291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.818291 (E_RNA)
where:
Base-Base interactions energy: -1341.933
where: short stacking energy: -586.233
Base-Backbone interact. energy: -1.273
local terms energy: -713.611913
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -158.082
flat angles C4'-P-C4' energy: -158.227
flat angles P-C4'-P energy: -114.248
tors. eta vs tors. theta energy: -150.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1736.718076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.718076 (E_RNA)
where:
Base-Base interactions energy: -1128.065
where: short stacking energy: -465.442
Base-Backbone interact. energy: 4.215
local terms energy: -612.868724
where:
bonds (distance) C4'-P energy: -132.642
bonds (distance) P-C4' energy: -153.842
flat angles C4'-P-C4' energy: -138.521
flat angles P-C4'-P energy: -88.505
tors. eta vs tors. theta energy: -99.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1429.961292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.961292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.961292 (E_RNA)
where:
Base-Base interactions energy: -886.086
where: short stacking energy: -414.332
Base-Backbone interact. energy: 1.180
local terms energy: -545.055296
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -124.066
flat angles P-C4'-P energy: -96.013
tors. eta vs tors. theta energy: -76.009
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1065.807629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.807629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.807629 (E_RNA)
where:
Base-Base interactions energy: -577.690
where: short stacking energy: -294.421
Base-Backbone interact. energy: -1.686
local terms energy: -486.432157
where:
bonds (distance) C4'-P energy: -141.363
bonds (distance) P-C4' energy: -132.510
flat angles C4'-P-C4' energy: -109.744
flat angles P-C4'-P energy: -81.437
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -774.967819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.967819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.967819 (E_RNA)
where:
Base-Base interactions energy: -358.898
where: short stacking energy: -222.852
Base-Backbone interact. energy: -1.820
local terms energy: -414.249964
where:
bonds (distance) C4'-P energy: -135.199
bonds (distance) P-C4' energy: -134.711
flat angles C4'-P-C4' energy: -119.336
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: 31.129
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: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2874.837999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.837999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.837999 (E_RNA)
where:
Base-Base interactions energy: -2021.282
where: short stacking energy: -785.997
Base-Backbone interact. energy: -6.908
local terms energy: -846.648198
where:
bonds (distance) C4'-P energy: -167.184
bonds (distance) P-C4' energy: -156.180
flat angles C4'-P-C4' energy: -181.240
flat angles P-C4'-P energy: -114.701
tors. eta vs tors. theta energy: -227.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2709.398863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.398863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.398863 (E_RNA)
where:
Base-Base interactions energy: -1893.788
where: short stacking energy: -755.932
Base-Backbone interact. energy: -3.234
local terms energy: -812.377231
where:
bonds (distance) C4'-P energy: -139.330
bonds (distance) P-C4' energy: -160.078
flat angles C4'-P-C4' energy: -177.877
flat angles P-C4'-P energy: -123.916
tors. eta vs tors. theta energy: -211.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2516.993977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.993977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.993977 (E_RNA)
where:
Base-Base interactions energy: -1710.164
where: short stacking energy: -738.240
Base-Backbone interact. energy: -0.092
local terms energy: -806.737877
where:
bonds (distance) C4'-P energy: -144.202
bonds (distance) P-C4' energy: -157.938
flat angles C4'-P-C4' energy: -172.099
flat angles P-C4'-P energy: -118.916
tors. eta vs tors. theta energy: -213.584
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2303.897029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.897029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.897029 (E_RNA)
where:
Base-Base interactions energy: -1528.982
where: short stacking energy: -666.448
Base-Backbone interact. energy: -1.737
local terms energy: -773.178630
where:
bonds (distance) C4'-P energy: -143.701
bonds (distance) P-C4' energy: -151.758
flat angles C4'-P-C4' energy: -170.209
flat angles P-C4'-P energy: -104.687
tors. eta vs tors. theta energy: -202.823
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: 383
Temperature: 1.100000
Total energy: -2178.447300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.447300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.447300 (E_RNA)
where:
Base-Base interactions energy: -1464.105
where: short stacking energy: -628.672
Base-Backbone interact. energy: -2.639
local terms energy: -711.702555
where:
bonds (distance) C4'-P energy: -153.431
bonds (distance) P-C4' energy: -147.179
flat angles C4'-P-C4' energy: -142.976
flat angles P-C4'-P energy: -88.554
tors. eta vs tors. theta energy: -179.563
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: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1996.402717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.402717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.402717 (E_RNA)
where:
Base-Base interactions energy: -1287.819
where: short stacking energy: -575.237
Base-Backbone interact. energy: -1.726
local terms energy: -706.857307
where:
bonds (distance) C4'-P energy: -132.820
bonds (distance) P-C4' energy: -154.911
flat angles C4'-P-C4' energy: -153.774
flat angles P-C4'-P energy: -109.207
tors. eta vs tors. theta energy: -156.145
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1700.689969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.689969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.689969 (E_RNA)
where:
Base-Base interactions energy: -1094.153
where: short stacking energy: -473.977
Base-Backbone interact. energy: -0.733
local terms energy: -605.804073
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -138.062
flat angles C4'-P-C4' energy: -151.037
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -115.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1394.628177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.628177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.628177 (E_RNA)
where:
Base-Base interactions energy: -882.908
where: short stacking energy: -413.163
Base-Backbone interact. energy: -5.655
local terms energy: -506.065292
where:
bonds (distance) C4'-P energy: -108.096
bonds (distance) P-C4' energy: -150.508
flat angles C4'-P-C4' energy: -111.950
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -64.893
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: 383
Temperature: 1.300000
Total energy: -1014.669369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.669369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.669369 (E_RNA)
where:
Base-Base interactions energy: -539.558
where: short stacking energy: -288.885
Base-Backbone interact. energy: -1.763
local terms energy: -473.347718
where:
bonds (distance) C4'-P energy: -128.493
bonds (distance) P-C4' energy: -139.774
flat angles C4'-P-C4' energy: -104.327
flat angles P-C4'-P energy: -81.777
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -736.297358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.297358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.297358 (E_RNA)
where:
Base-Base interactions energy: -340.766
where: short stacking energy: -185.074
Base-Backbone interact. energy: 0.554
local terms energy: -396.085220
where:
bonds (distance) C4'-P energy: -118.035
bonds (distance) P-C4' energy: -135.930
flat angles C4'-P-C4' energy: -123.623
flat angles P-C4'-P energy: -48.074
tors. eta vs tors. theta energy: 29.577
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: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2883.702378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.702378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.702378 (E_RNA)
where:
Base-Base interactions energy: -1993.609
where: short stacking energy: -808.780
Base-Backbone interact. energy: 2.523
local terms energy: -892.616556
where:
bonds (distance) C4'-P energy: -169.958
bonds (distance) P-C4' energy: -171.143
flat angles C4'-P-C4' energy: -199.452
flat angles P-C4'-P energy: -116.999
tors. eta vs tors. theta energy: -235.065
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: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2708.839440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.839440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.839440 (E_RNA)
where:
Base-Base interactions energy: -1873.556
where: short stacking energy: -763.031
Base-Backbone interact. energy: -3.109
local terms energy: -832.174414
where:
bonds (distance) C4'-P energy: -145.142
bonds (distance) P-C4' energy: -154.582
flat angles C4'-P-C4' energy: -185.844
flat angles P-C4'-P energy: -127.116
tors. eta vs tors. theta energy: -219.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2520.382183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.382183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.382183 (E_RNA)
where:
Base-Base interactions energy: -1734.187
where: short stacking energy: -740.624
Base-Backbone interact. energy: -2.238
local terms energy: -783.957334
where:
bonds (distance) C4'-P energy: -136.215
bonds (distance) P-C4' energy: -161.453
flat angles C4'-P-C4' energy: -154.051
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -212.649
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: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2315.375617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.375617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.375617 (E_RNA)
where:
Base-Base interactions energy: -1508.742
where: short stacking energy: -655.114
Base-Backbone interact. energy: -0.972
local terms energy: -805.661595
where:
bonds (distance) C4'-P energy: -157.538
bonds (distance) P-C4' energy: -154.300
flat angles C4'-P-C4' energy: -163.178
flat angles P-C4'-P energy: -123.887
tors. eta vs tors. theta energy: -206.758
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: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2142.481149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.481149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.481149 (E_RNA)
where:
Base-Base interactions energy: -1400.643
where: short stacking energy: -629.604
Base-Backbone interact. energy: -1.851
local terms energy: -739.987138
where:
bonds (distance) C4'-P energy: -141.163
bonds (distance) P-C4' energy: -142.790
flat angles C4'-P-C4' energy: -160.521
flat angles P-C4'-P energy: -117.411
tors. eta vs tors. theta energy: -178.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2070.160031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.160031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.160031 (E_RNA)
where:
Base-Base interactions energy: -1388.363
where: short stacking energy: -578.478
Base-Backbone interact. energy: 1.026
local terms energy: -682.822528
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -136.129
flat angles C4'-P-C4' energy: -164.878
flat angles P-C4'-P energy: -100.339
tors. eta vs tors. theta energy: -157.900
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1602.472861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.472861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.472861 (E_RNA)
where:
Base-Base interactions energy: -1002.839
where: short stacking energy: -445.783
Base-Backbone interact. energy: 1.088
local terms energy: -600.721737
where:
bonds (distance) C4'-P energy: -115.665
bonds (distance) P-C4' energy: -154.405
flat angles C4'-P-C4' energy: -144.212
flat angles P-C4'-P energy: -88.015
tors. eta vs tors. theta energy: -98.425
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: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1438.574176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.574176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.574176 (E_RNA)
where:
Base-Base interactions energy: -887.114
where: short stacking energy: -414.833
Base-Backbone interact. energy: 0.844
local terms energy: -552.304113
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -138.152
flat angles C4'-P-C4' energy: -137.389
flat angles P-C4'-P energy: -70.975
tors. eta vs tors. theta energy: -77.588
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: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -926.923956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.923956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.923956 (E_RNA)
where:
Base-Base interactions energy: -470.628
where: short stacking energy: -291.673
Base-Backbone interact. energy: -2.607
local terms energy: -453.688380
where:
bonds (distance) C4'-P energy: -98.471
bonds (distance) P-C4' energy: -148.090
flat angles C4'-P-C4' energy: -128.285
flat angles P-C4'-P energy: -66.624
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -727.624032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.624032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.624032 (E_RNA)
where:
Base-Base interactions energy: -308.955
where: short stacking energy: -215.852
Base-Backbone interact. energy: -1.539
local terms energy: -417.130324
where:
bonds (distance) C4'-P energy: -124.511
bonds (distance) P-C4' energy: -128.861
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2920.180074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.180074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.180074 (E_RNA)
where:
Base-Base interactions energy: -2055.846
where: short stacking energy: -803.192
Base-Backbone interact. energy: -4.336
local terms energy: -859.998721
where:
bonds (distance) C4'-P energy: -164.526
bonds (distance) P-C4' energy: -156.443
flat angles C4'-P-C4' energy: -186.511
flat angles P-C4'-P energy: -119.874
tors. eta vs tors. theta energy: -232.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2686.792537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.792537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.792537 (E_RNA)
where:
Base-Base interactions energy: -1877.420
where: short stacking energy: -740.757
Base-Backbone interact. energy: -3.229
local terms energy: -806.143648
where:
bonds (distance) C4'-P energy: -143.276
bonds (distance) P-C4' energy: -167.027
flat angles C4'-P-C4' energy: -168.547
flat angles P-C4'-P energy: -116.462
tors. eta vs tors. theta energy: -210.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2490.742757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.742757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.742757 (E_RNA)
where:
Base-Base interactions energy: -1685.160
where: short stacking energy: -708.680
Base-Backbone interact. energy: -4.990
local terms energy: -800.593144
where:
bonds (distance) C4'-P energy: -147.503
bonds (distance) P-C4' energy: -143.870
flat angles C4'-P-C4' energy: -176.781
flat angles P-C4'-P energy: -121.982
tors. eta vs tors. theta energy: -210.458
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: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2340.415679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.415679 (E_RNA)
where:
Base-Base interactions energy: -1556.497
where: short stacking energy: -676.018
Base-Backbone interact. energy: -2.800
local terms energy: -781.117854
where:
bonds (distance) C4'-P energy: -151.665
bonds (distance) P-C4' energy: -145.310
flat angles C4'-P-C4' energy: -173.049
flat angles P-C4'-P energy: -106.523
tors. eta vs tors. theta energy: -204.572
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2239.528721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.528721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.528721 (E_RNA)
where:
Base-Base interactions energy: -1525.059
where: short stacking energy: -661.269
Base-Backbone interact. energy: -2.977
local terms energy: -711.493025
where:
bonds (distance) C4'-P energy: -143.048
bonds (distance) P-C4' energy: -114.756
flat angles C4'-P-C4' energy: -162.601
flat angles P-C4'-P energy: -100.406
tors. eta vs tors. theta energy: -190.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2094.879695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.879695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.879695 (E_RNA)
where:
Base-Base interactions energy: -1382.290
where: short stacking energy: -604.980
Base-Backbone interact. energy: -0.503
local terms energy: -712.086030
where:
bonds (distance) C4'-P energy: -158.114
bonds (distance) P-C4' energy: -145.507
flat angles C4'-P-C4' energy: -152.178
flat angles P-C4'-P energy: -109.954
tors. eta vs tors. theta energy: -146.333
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1635.952285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.952285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.952285 (E_RNA)
where:
Base-Base interactions energy: -1029.125
where: short stacking energy: -472.907
Base-Backbone interact. energy: -3.350
local terms energy: -603.477831
where:
bonds (distance) C4'-P energy: -143.046
bonds (distance) P-C4' energy: -138.683
flat angles C4'-P-C4' energy: -133.874
flat angles P-C4'-P energy: -88.001
tors. eta vs tors. theta energy: -99.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1368.567940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.567940 (E_RNA)
where:
Base-Base interactions energy: -849.217
where: short stacking energy: -398.441
Base-Backbone interact. energy: -4.324
local terms energy: -515.027484
where:
bonds (distance) C4'-P energy: -120.961
bonds (distance) P-C4' energy: -135.695
flat angles C4'-P-C4' energy: -140.136
flat angles P-C4'-P energy: -74.327
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: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -913.975708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.975708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.975708 (E_RNA)
where:
Base-Base interactions energy: -455.401
where: short stacking energy: -252.003
Base-Backbone interact. energy: 8.191
local terms energy: -466.765346
where:
bonds (distance) C4'-P energy: -134.200
bonds (distance) P-C4' energy: -144.130
flat angles C4'-P-C4' energy: -108.840
flat angles P-C4'-P energy: -70.924
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -761.385562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.385562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.385562 (E_RNA)
where:
Base-Base interactions energy: -349.920
where: short stacking energy: -217.005
Base-Backbone interact. energy: -1.239
local terms energy: -410.226735
where:
bonds (distance) C4'-P energy: -130.796
bonds (distance) P-C4' energy: -132.352
flat angles C4'-P-C4' energy: -85.602
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: 6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2872.735992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.735992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.735992 (E_RNA)
where:
Base-Base interactions energy: -2019.949
where: short stacking energy: -799.339
Base-Backbone interact. energy: -1.584
local terms energy: -851.202784
where:
bonds (distance) C4'-P energy: -152.979
bonds (distance) P-C4' energy: -166.055
flat angles C4'-P-C4' energy: -189.202
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -232.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2604.425642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.425642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.425642 (E_RNA)
where:
Base-Base interactions energy: -1789.160
where: short stacking energy: -727.329
Base-Backbone interact. energy: -2.548
local terms energy: -812.717928
where:
bonds (distance) C4'-P energy: -143.942
bonds (distance) P-C4' energy: -155.750
flat angles C4'-P-C4' energy: -178.439
flat angles P-C4'-P energy: -121.396
tors. eta vs tors. theta energy: -213.191
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: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2534.012004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.012004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.012004 (E_RNA)
where:
Base-Base interactions energy: -1716.184
where: short stacking energy: -738.429
Base-Backbone interact. energy: -2.787
local terms energy: -815.041323
where:
bonds (distance) C4'-P energy: -146.396
bonds (distance) P-C4' energy: -158.762
flat angles C4'-P-C4' energy: -177.288
flat angles P-C4'-P energy: -114.380
tors. eta vs tors. theta energy: -218.216
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: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2272.235355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.235355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.235355 (E_RNA)
where:
Base-Base interactions energy: -1521.443
where: short stacking energy: -668.532
Base-Backbone interact. energy: -1.825
local terms energy: -748.966703
where:
bonds (distance) C4'-P energy: -155.943
bonds (distance) P-C4' energy: -131.319
flat angles C4'-P-C4' energy: -169.586
flat angles P-C4'-P energy: -106.668
tors. eta vs tors. theta energy: -185.452
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: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2196.291151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.291151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.291151 (E_RNA)
where:
Base-Base interactions energy: -1487.617
where: short stacking energy: -656.686
Base-Backbone interact. energy: -3.140
local terms energy: -705.533922
where:
bonds (distance) C4'-P energy: -133.438
bonds (distance) P-C4' energy: -151.714
flat angles C4'-P-C4' energy: -153.994
flat angles P-C4'-P energy: -93.257
tors. eta vs tors. theta energy: -173.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2064.820917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.820917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.820917 (E_RNA)
where:
Base-Base interactions energy: -1373.563
where: short stacking energy: -597.371
Base-Backbone interact. energy: 1.240
local terms energy: -692.498516
where:
bonds (distance) C4'-P energy: -116.482
bonds (distance) P-C4' energy: -138.539
flat angles C4'-P-C4' energy: -157.645
flat angles P-C4'-P energy: -114.062
tors. eta vs tors. theta energy: -165.770
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: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1641.829800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.829800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.829800 (E_RNA)
where:
Base-Base interactions energy: -1041.209
where: short stacking energy: -481.604
Base-Backbone interact. energy: 0.361
local terms energy: -600.981444
where:
bonds (distance) C4'-P energy: -124.079
bonds (distance) P-C4' energy: -142.332
flat angles C4'-P-C4' energy: -142.996
flat angles P-C4'-P energy: -96.945
tors. eta vs tors. theta energy: -94.630
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: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1397.698393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.698393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.698393 (E_RNA)
where:
Base-Base interactions energy: -847.057
where: short stacking energy: -365.582
Base-Backbone interact. energy: 5.573
local terms energy: -556.214968
where:
bonds (distance) C4'-P energy: -134.737
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -117.539
flat angles P-C4'-P energy: -84.451
tors. eta vs tors. theta energy: -75.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -964.501378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.501378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.501378 (E_RNA)
where:
Base-Base interactions energy: -501.337
where: short stacking energy: -275.234
Base-Backbone interact. energy: 2.762
local terms energy: -465.926293
where:
bonds (distance) C4'-P energy: -130.704
bonds (distance) P-C4' energy: -148.652
flat angles C4'-P-C4' energy: -97.550
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -771.161327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.161327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.161327 (E_RNA)
where:
Base-Base interactions energy: -365.543
where: short stacking energy: -202.491
Base-Backbone interact. energy: 14.543
local terms energy: -420.161348
where:
bonds (distance) C4'-P energy: -134.516
bonds (distance) P-C4' energy: -119.912
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -66.256
tors. eta vs tors. theta energy: 15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2830.927463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.927463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.927463 (E_RNA)
where:
Base-Base interactions energy: -1971.124
where: short stacking energy: -770.597
Base-Backbone interact. energy: -2.508
local terms energy: -857.296208
where:
bonds (distance) C4'-P energy: -165.475
bonds (distance) P-C4' energy: -161.365
flat angles C4'-P-C4' energy: -171.353
flat angles P-C4'-P energy: -131.173
tors. eta vs tors. theta energy: -227.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2666.141652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.141652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.141652 (E_RNA)
where:
Base-Base interactions energy: -1870.347
where: short stacking energy: -760.693
Base-Backbone interact. energy: -2.971
local terms energy: -792.823876
where:
bonds (distance) C4'-P energy: -153.158
bonds (distance) P-C4' energy: -155.843
flat angles C4'-P-C4' energy: -182.087
flat angles P-C4'-P energy: -88.267
tors. eta vs tors. theta energy: -213.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2485.439007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.439007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.439007 (E_RNA)
where:
Base-Base interactions energy: -1697.914
where: short stacking energy: -715.692
Base-Backbone interact. energy: -1.010
local terms energy: -789.686365
where:
bonds (distance) C4'-P energy: -144.913
bonds (distance) P-C4' energy: -153.643
flat angles C4'-P-C4' energy: -165.641
flat angles P-C4'-P energy: -120.554
tors. eta vs tors. theta energy: -204.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.172 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2398.739805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.739805 (E_RNA)
where:
Base-Base interactions energy: -1605.663
where: short stacking energy: -721.510
Base-Backbone interact. energy: -2.141
local terms energy: -790.935649
where:
bonds (distance) C4'-P energy: -150.403
bonds (distance) P-C4' energy: -131.670
flat angles C4'-P-C4' energy: -179.250
flat angles P-C4'-P energy: -107.730
tors. eta vs tors. theta energy: -221.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2181.654607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.654607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.654607 (E_RNA)
where:
Base-Base interactions energy: -1452.939
where: short stacking energy: -635.510
Base-Backbone interact. energy: -0.441
local terms energy: -728.274671
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -152.895
flat angles C4'-P-C4' energy: -165.126
flat angles P-C4'-P energy: -106.623
tors. eta vs tors. theta energy: -170.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2044.262673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.262673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.262673 (E_RNA)
where:
Base-Base interactions energy: -1370.452
where: short stacking energy: -574.594
Base-Backbone interact. energy: -1.206
local terms energy: -672.604535
where:
bonds (distance) C4'-P energy: -133.421
bonds (distance) P-C4' energy: -134.490
flat angles C4'-P-C4' energy: -147.041
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -156.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1589.347601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.347601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.347601 (E_RNA)
where:
Base-Base interactions energy: -980.401
where: short stacking energy: -473.149
Base-Backbone interact. energy: -2.202
local terms energy: -606.743862
where:
bonds (distance) C4'-P energy: -122.953
bonds (distance) P-C4' energy: -147.775
flat angles C4'-P-C4' energy: -150.023
flat angles P-C4'-P energy: -82.630
tors. eta vs tors. theta energy: -103.363
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1411.674696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.674696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.674696 (E_RNA)
where:
Base-Base interactions energy: -885.286
where: short stacking energy: -429.505
Base-Backbone interact. energy: -4.350
local terms energy: -522.037975
where:
bonds (distance) C4'-P energy: -124.765
bonds (distance) P-C4' energy: -131.485
flat angles C4'-P-C4' energy: -109.558
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: -72.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -969.816302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.816302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.816302 (E_RNA)
where:
Base-Base interactions energy: -510.592
where: short stacking energy: -286.901
Base-Backbone interact. energy: -0.427
local terms energy: -458.797246
where:
bonds (distance) C4'-P energy: -116.821
bonds (distance) P-C4' energy: -146.737
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -71.477
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -795.123757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.123757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.123757 (E_RNA)
where:
Base-Base interactions energy: -384.830
where: short stacking energy: -220.954
Base-Backbone interact. energy: 6.495
local terms energy: -416.788480
where:
bonds (distance) C4'-P energy: -128.453
bonds (distance) P-C4' energy: -139.398
flat angles C4'-P-C4' energy: -116.296
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: 14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2896.086019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.086019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.086019 (E_RNA)
where:
Base-Base interactions energy: -2038.781
where: short stacking energy: -830.510
Base-Backbone interact. energy: -7.383
local terms energy: -849.921863
where:
bonds (distance) C4'-P energy: -152.562
bonds (distance) P-C4' energy: -154.223
flat angles C4'-P-C4' energy: -186.588
flat angles P-C4'-P energy: -116.419
tors. eta vs tors. theta energy: -240.129
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2687.627799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.627799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.627799 (E_RNA)
where:
Base-Base interactions energy: -1887.571
where: short stacking energy: -756.727
Base-Backbone interact. energy: -0.349
local terms energy: -799.708254
where:
bonds (distance) C4'-P energy: -139.327
bonds (distance) P-C4' energy: -160.303
flat angles C4'-P-C4' energy: -169.707
flat angles P-C4'-P energy: -117.995
tors. eta vs tors. theta energy: -212.376
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: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2491.517694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.517694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.517694 (E_RNA)
where:
Base-Base interactions energy: -1693.873
where: short stacking energy: -742.082
Base-Backbone interact. energy: -1.690
local terms energy: -795.954301
where:
bonds (distance) C4'-P energy: -133.046
bonds (distance) P-C4' energy: -163.604
flat angles C4'-P-C4' energy: -159.891
flat angles P-C4'-P energy: -116.671
tors. eta vs tors. theta energy: -222.743
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2315.036399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.036399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.036399 (E_RNA)
where:
Base-Base interactions energy: -1527.859
where: short stacking energy: -670.039
Base-Backbone interact. energy: -0.910
local terms energy: -786.266999
where:
bonds (distance) C4'-P energy: -155.198
bonds (distance) P-C4' energy: -154.628
flat angles C4'-P-C4' energy: -175.243
flat angles P-C4'-P energy: -111.898
tors. eta vs tors. theta energy: -189.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2155.581466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.581466 (E_RNA)
where:
Base-Base interactions energy: -1415.214
where: short stacking energy: -641.661
Base-Backbone interact. energy: -2.514
local terms energy: -737.853287
where:
bonds (distance) C4'-P energy: -139.619
bonds (distance) P-C4' energy: -142.175
flat angles C4'-P-C4' energy: -151.305
flat angles P-C4'-P energy: -112.496
tors. eta vs tors. theta energy: -192.259
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: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2094.823103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.823103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.823103 (E_RNA)
where:
Base-Base interactions energy: -1378.498
where: short stacking energy: -609.819
Base-Backbone interact. energy: -0.219
local terms energy: -716.106282
where:
bonds (distance) C4'-P energy: -138.793
bonds (distance) P-C4' energy: -164.362
flat angles C4'-P-C4' energy: -154.375
flat angles P-C4'-P energy: -99.720
tors. eta vs tors. theta energy: -158.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1637.277301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.277301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.277301 (E_RNA)
where:
Base-Base interactions energy: -1009.826
where: short stacking energy: -466.904
Base-Backbone interact. energy: -3.530
local terms energy: -623.921029
where:
bonds (distance) C4'-P energy: -151.033
bonds (distance) P-C4' energy: -148.308
flat angles C4'-P-C4' energy: -129.817
flat angles P-C4'-P energy: -86.375
tors. eta vs tors. theta energy: -108.389
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1356.503042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.503042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.503042 (E_RNA)
where:
Base-Base interactions energy: -823.546
where: short stacking energy: -378.779
Base-Backbone interact. energy: 0.298
local terms energy: -533.254784
where:
bonds (distance) C4'-P energy: -122.956
bonds (distance) P-C4' energy: -127.114
flat angles C4'-P-C4' energy: -149.556
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -62.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -964.595616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.595616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.595616 (E_RNA)
where:
Base-Base interactions energy: -461.298
where: short stacking energy: -249.518
Base-Backbone interact. energy: -3.245
local terms energy: -500.052227
where:
bonds (distance) C4'-P energy: -141.404
bonds (distance) P-C4' energy: -133.827
flat angles C4'-P-C4' energy: -128.009
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -743.470953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.470953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.470953 (E_RNA)
where:
Base-Base interactions energy: -338.391
where: short stacking energy: -192.615
Base-Backbone interact. energy: 0.891
local terms energy: -405.970644
where:
bonds (distance) C4'-P energy: -146.210
bonds (distance) P-C4' energy: -132.353
flat angles C4'-P-C4' energy: -86.184
flat angles P-C4'-P energy: -75.629
tors. eta vs tors. theta energy: 34.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2849.653213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.653213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.653213 (E_RNA)
where:
Base-Base interactions energy: -1975.201
where: short stacking energy: -827.184
Base-Backbone interact. energy: -6.106
local terms energy: -868.345902
where:
bonds (distance) C4'-P energy: -184.122
bonds (distance) P-C4' energy: -159.726
flat angles C4'-P-C4' energy: -173.288
flat angles P-C4'-P energy: -115.631
tors. eta vs tors. theta energy: -235.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2699.660438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.660438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.660438 (E_RNA)
where:
Base-Base interactions energy: -1896.746
where: short stacking energy: -734.203
Base-Backbone interact. energy: -4.571
local terms energy: -798.343145
where:
bonds (distance) C4'-P energy: -156.953
bonds (distance) P-C4' energy: -156.558
flat angles C4'-P-C4' energy: -175.286
flat angles P-C4'-P energy: -100.316
tors. eta vs tors. theta energy: -209.230
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: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2459.380833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.380833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.380833 (E_RNA)
where:
Base-Base interactions energy: -1655.816
where: short stacking energy: -724.522
Base-Backbone interact. energy: 2.554
local terms energy: -806.119593
where:
bonds (distance) C4'-P energy: -143.801
bonds (distance) P-C4' energy: -158.528
flat angles C4'-P-C4' energy: -170.682
flat angles P-C4'-P energy: -117.267
tors. eta vs tors. theta energy: -215.842
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: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2294.875257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.875257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.875257 (E_RNA)
where:
Base-Base interactions energy: -1525.830
where: short stacking energy: -680.512
Base-Backbone interact. energy: -1.808
local terms energy: -767.237207
where:
bonds (distance) C4'-P energy: -148.631
bonds (distance) P-C4' energy: -145.457
flat angles C4'-P-C4' energy: -169.137
flat angles P-C4'-P energy: -115.772
tors. eta vs tors. theta energy: -188.240
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: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2158.000193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.000193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.000193 (E_RNA)
where:
Base-Base interactions energy: -1413.350
where: short stacking energy: -630.520
Base-Backbone interact. energy: -3.544
local terms energy: -741.105986
where:
bonds (distance) C4'-P energy: -152.976
bonds (distance) P-C4' energy: -151.235
flat angles C4'-P-C4' energy: -163.765
flat angles P-C4'-P energy: -102.594
tors. eta vs tors. theta energy: -170.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2050.106824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.106824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.106824 (E_RNA)
where:
Base-Base interactions energy: -1370.926
where: short stacking energy: -570.171
Base-Backbone interact. energy: 0.056
local terms energy: -679.236944
where:
bonds (distance) C4'-P energy: -144.669
bonds (distance) P-C4' energy: -127.967
flat angles C4'-P-C4' energy: -150.003
flat angles P-C4'-P energy: -97.954
tors. eta vs tors. theta energy: -158.644
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1616.262474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.262474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.262474 (E_RNA)
where:
Base-Base interactions energy: -1033.981
where: short stacking energy: -437.182
Base-Backbone interact. energy: -3.021
local terms energy: -579.260907
where:
bonds (distance) C4'-P energy: -125.847
bonds (distance) P-C4' energy: -140.782
flat angles C4'-P-C4' energy: -136.633
flat angles P-C4'-P energy: -80.173
tors. eta vs tors. theta energy: -95.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1390.764856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.764856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.764856 (E_RNA)
where:
Base-Base interactions energy: -837.963
where: short stacking energy: -387.367
Base-Backbone interact. energy: 1.538
local terms energy: -554.340326
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -128.227
flat angles C4'-P-C4' energy: -142.897
flat angles P-C4'-P energy: -84.591
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: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -959.620288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.620288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.620288 (E_RNA)
where:
Base-Base interactions energy: -505.241
where: short stacking energy: -273.487
Base-Backbone interact. energy: 6.589
local terms energy: -460.968868
where:
bonds (distance) C4'-P energy: -129.584
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -103.206
flat angles P-C4'-P energy: -79.160
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -716.944515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.944515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.944515 (E_RNA)
where:
Base-Base interactions energy: -309.513
where: short stacking energy: -217.476
Base-Backbone interact. energy: 9.668
local terms energy: -417.099756
where:
bonds (distance) C4'-P energy: -116.308
bonds (distance) P-C4' energy: -139.836
flat angles C4'-P-C4' energy: -120.196
flat angles P-C4'-P energy: -51.156
tors. eta vs tors. theta energy: 10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2854.179044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.179044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.179044 (E_RNA)
where:
Base-Base interactions energy: -1973.769
where: short stacking energy: -787.851
Base-Backbone interact. energy: -3.775
local terms energy: -876.635128
where:
bonds (distance) C4'-P energy: -170.366
bonds (distance) P-C4' energy: -170.485
flat angles C4'-P-C4' energy: -187.045
flat angles P-C4'-P energy: -113.007
tors. eta vs tors. theta energy: -235.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2652.831729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.831729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.831729 (E_RNA)
where:
Base-Base interactions energy: -1856.500
where: short stacking energy: -740.310
Base-Backbone interact. energy: -3.208
local terms energy: -793.123455
where:
bonds (distance) C4'-P energy: -164.813
bonds (distance) P-C4' energy: -141.626
flat angles C4'-P-C4' energy: -167.901
flat angles P-C4'-P energy: -120.933
tors. eta vs tors. theta energy: -197.850
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: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2503.208488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.208488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.208488 (E_RNA)
where:
Base-Base interactions energy: -1711.504
where: short stacking energy: -743.736
Base-Backbone interact. energy: 1.243
local terms energy: -792.947423
where:
bonds (distance) C4'-P energy: -157.099
bonds (distance) P-C4' energy: -140.102
flat angles C4'-P-C4' energy: -178.326
flat angles P-C4'-P energy: -102.835
tors. eta vs tors. theta energy: -214.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2315.981104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.981104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.981104 (E_RNA)
where:
Base-Base interactions energy: -1539.592
where: short stacking energy: -675.485
Base-Backbone interact. energy: -2.389
local terms energy: -773.999616
where:
bonds (distance) C4'-P energy: -142.117
bonds (distance) P-C4' energy: -157.608
flat angles C4'-P-C4' energy: -169.660
flat angles P-C4'-P energy: -110.223
tors. eta vs tors. theta energy: -194.391
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2179.369778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.369778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.369778 (E_RNA)
where:
Base-Base interactions energy: -1467.510
where: short stacking energy: -671.943
Base-Backbone interact. energy: -2.402
local terms energy: -709.457001
where:
bonds (distance) C4'-P energy: -127.819
bonds (distance) P-C4' energy: -139.659
flat angles C4'-P-C4' energy: -161.583
flat angles P-C4'-P energy: -99.864
tors. eta vs tors. theta energy: -180.532
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: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2035.608938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.608938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.608938 (E_RNA)
where:
Base-Base interactions energy: -1351.614
where: short stacking energy: -593.323
Base-Backbone interact. energy: -2.101
local terms energy: -681.894235
where:
bonds (distance) C4'-P energy: -139.591
bonds (distance) P-C4' energy: -142.241
flat angles C4'-P-C4' energy: -151.029
flat angles P-C4'-P energy: -97.369
tors. eta vs tors. theta energy: -151.664
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: 390
Temperature: 1.200000
Total energy: -1642.112874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.112874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.112874 (E_RNA)
where:
Base-Base interactions energy: -999.120
where: short stacking energy: -448.075
Base-Backbone interact. energy: -3.967
local terms energy: -639.025205
where:
bonds (distance) C4'-P energy: -146.210
bonds (distance) P-C4' energy: -141.306
flat angles C4'-P-C4' energy: -156.761
flat angles P-C4'-P energy: -99.733
tors. eta vs tors. theta energy: -95.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1425.624774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.624774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.624774 (E_RNA)
where:
Base-Base interactions energy: -848.208
where: short stacking energy: -379.184
Base-Backbone interact. energy: -0.967
local terms energy: -576.450122
where:
bonds (distance) C4'-P energy: -126.536
bonds (distance) P-C4' energy: -144.702
flat angles C4'-P-C4' energy: -151.563
flat angles P-C4'-P energy: -78.894
tors. eta vs tors. theta energy: -74.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -954.186133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.186133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.186133 (E_RNA)
where:
Base-Base interactions energy: -495.705
where: short stacking energy: -266.660
Base-Backbone interact. energy: 0.709
local terms energy: -459.189431
where:
bonds (distance) C4'-P energy: -114.197
bonds (distance) P-C4' energy: -130.313
flat angles C4'-P-C4' energy: -134.318
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -747.522384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.522384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.522384 (E_RNA)
where:
Base-Base interactions energy: -358.207
where: short stacking energy: -219.028
Base-Backbone interact. energy: 3.056
local terms energy: -392.371375
where:
bonds (distance) C4'-P energy: -101.883
bonds (distance) P-C4' energy: -135.816
flat angles C4'-P-C4' energy: -112.581
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: 19.735
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: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2834.450365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.450365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.450365 (E_RNA)
where:
Base-Base interactions energy: -1984.801
where: short stacking energy: -799.834
Base-Backbone interact. energy: -1.286
local terms energy: -848.363230
where:
bonds (distance) C4'-P energy: -153.458
bonds (distance) P-C4' energy: -168.263
flat angles C4'-P-C4' energy: -176.378
flat angles P-C4'-P energy: -115.806
tors. eta vs tors. theta energy: -234.458
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2658.127904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.127904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.127904 (E_RNA)
where:
Base-Base interactions energy: -1835.387
where: short stacking energy: -723.723
Base-Backbone interact. energy: -7.040
local terms energy: -815.701218
where:
bonds (distance) C4'-P energy: -153.120
bonds (distance) P-C4' energy: -168.555
flat angles C4'-P-C4' energy: -178.295
flat angles P-C4'-P energy: -114.476
tors. eta vs tors. theta energy: -201.255
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: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2481.908241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.908241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.908241 (E_RNA)
where:
Base-Base interactions energy: -1671.085
where: short stacking energy: -721.429
Base-Backbone interact. energy: -1.488
local terms energy: -809.335538
where:
bonds (distance) C4'-P energy: -152.857
bonds (distance) P-C4' energy: -161.831
flat angles C4'-P-C4' energy: -173.243
flat angles P-C4'-P energy: -107.682
tors. eta vs tors. theta energy: -213.723
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: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2296.724930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.724930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.724930 (E_RNA)
where:
Base-Base interactions energy: -1532.708
where: short stacking energy: -685.741
Base-Backbone interact. energy: -2.809
local terms energy: -761.207720
where:
bonds (distance) C4'-P energy: -174.300
bonds (distance) P-C4' energy: -139.503
flat angles C4'-P-C4' energy: -154.293
flat angles P-C4'-P energy: -105.140
tors. eta vs tors. theta energy: -187.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2166.053935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.053935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.053935 (E_RNA)
where:
Base-Base interactions energy: -1432.716
where: short stacking energy: -616.955
Base-Backbone interact. energy: -0.566
local terms energy: -732.771846
where:
bonds (distance) C4'-P energy: -150.580
bonds (distance) P-C4' energy: -139.647
flat angles C4'-P-C4' energy: -157.018
flat angles P-C4'-P energy: -105.741
tors. eta vs tors. theta energy: -179.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2021.867809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.867809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.867809 (E_RNA)
where:
Base-Base interactions energy: -1339.282
where: short stacking energy: -588.350
Base-Backbone interact. energy: -0.987
local terms energy: -681.599308
where:
bonds (distance) C4'-P energy: -115.538
bonds (distance) P-C4' energy: -146.818
flat angles C4'-P-C4' energy: -166.592
flat angles P-C4'-P energy: -101.446
tors. eta vs tors. theta energy: -151.206
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: 391
Temperature: 1.200000
Total energy: -1635.811718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.811718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.811718 (E_RNA)
where:
Base-Base interactions energy: -991.256
where: short stacking energy: -483.450
Base-Backbone interact. energy: -1.926
local terms energy: -642.629616
where:
bonds (distance) C4'-P energy: -141.353
bonds (distance) P-C4' energy: -155.307
flat angles C4'-P-C4' energy: -153.703
flat angles P-C4'-P energy: -86.984
tors. eta vs tors. theta energy: -105.283
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: 391
Temperature: 1.250000
Total energy: -1509.795723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.795723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.795723 (E_RNA)
where:
Base-Base interactions energy: -951.934
where: short stacking energy: -460.357
Base-Backbone interact. energy: 1.333
local terms energy: -559.195384
where:
bonds (distance) C4'-P energy: -138.472
bonds (distance) P-C4' energy: -137.670
flat angles C4'-P-C4' energy: -113.637
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -102.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -946.456753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.456753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.456753 (E_RNA)
where:
Base-Base interactions energy: -486.422
where: short stacking energy: -273.018
Base-Backbone interact. energy: 4.605
local terms energy: -464.640231
where:
bonds (distance) C4'-P energy: -137.655
bonds (distance) P-C4' energy: -113.669
flat angles C4'-P-C4' energy: -140.897
flat angles P-C4'-P energy: -50.721
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: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -788.530666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.530666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.530666 (E_RNA)
where:
Base-Base interactions energy: -365.123
where: short stacking energy: -214.650
Base-Backbone interact. energy: -2.900
local terms energy: -420.508082
where:
bonds (distance) C4'-P energy: -99.092
bonds (distance) P-C4' energy: -146.166
flat angles C4'-P-C4' energy: -124.517
flat angles P-C4'-P energy: -65.917
tors. eta vs tors. theta energy: 15.184
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: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2817.937382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.937382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.937382 (E_RNA)
where:
Base-Base interactions energy: -1977.067
where: short stacking energy: -812.531
Base-Backbone interact. energy: -1.267
local terms energy: -839.603453
where:
bonds (distance) C4'-P energy: -163.111
bonds (distance) P-C4' energy: -175.019
flat angles C4'-P-C4' energy: -173.579
flat angles P-C4'-P energy: -98.830
tors. eta vs tors. theta energy: -229.064
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: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2651.417328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.417328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.417328 (E_RNA)
where:
Base-Base interactions energy: -1831.334
where: short stacking energy: -742.120
Base-Backbone interact. energy: -3.954
local terms energy: -816.129058
where:
bonds (distance) C4'-P energy: -163.112
bonds (distance) P-C4' energy: -161.983
flat angles C4'-P-C4' energy: -168.900
flat angles P-C4'-P energy: -113.787
tors. eta vs tors. theta energy: -208.347
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: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2472.545739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.545739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.545739 (E_RNA)
where:
Base-Base interactions energy: -1658.873
where: short stacking energy: -713.032
Base-Backbone interact. energy: -3.268
local terms energy: -810.404968
where:
bonds (distance) C4'-P energy: -143.037
bonds (distance) P-C4' energy: -156.458
flat angles C4'-P-C4' energy: -172.399
flat angles P-C4'-P energy: -117.978
tors. eta vs tors. theta energy: -220.533
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: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2250.472695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.472695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.472695 (E_RNA)
where:
Base-Base interactions energy: -1480.734
where: short stacking energy: -669.104
Base-Backbone interact. energy: -3.199
local terms energy: -766.540208
where:
bonds (distance) C4'-P energy: -137.753
bonds (distance) P-C4' energy: -152.414
flat angles C4'-P-C4' energy: -176.480
flat angles P-C4'-P energy: -100.398
tors. eta vs tors. theta energy: -199.494
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2127.566764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.566764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.566764 (E_RNA)
where:
Base-Base interactions energy: -1419.363
where: short stacking energy: -625.365
Base-Backbone interact. energy: 3.667
local terms energy: -711.870183
where:
bonds (distance) C4'-P energy: -152.394
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -155.033
flat angles P-C4'-P energy: -98.656
tors. eta vs tors. theta energy: -173.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2092.447267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.447267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.447267 (E_RNA)
where:
Base-Base interactions energy: -1403.410
where: short stacking energy: -623.581
Base-Backbone interact. energy: -2.068
local terms energy: -686.969037
where:
bonds (distance) C4'-P energy: -122.878
bonds (distance) P-C4' energy: -137.957
flat angles C4'-P-C4' energy: -158.317
flat angles P-C4'-P energy: -88.832
tors. eta vs tors. theta energy: -178.986
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1607.905535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.905535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.905535 (E_RNA)
where:
Base-Base interactions energy: -1020.536
where: short stacking energy: -443.838
Base-Backbone interact. energy: -0.745
local terms energy: -586.623750
where:
bonds (distance) C4'-P energy: -136.731
bonds (distance) P-C4' energy: -149.783
flat angles C4'-P-C4' energy: -142.087
flat angles P-C4'-P energy: -65.263
tors. eta vs tors. theta energy: -92.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1526.381364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.381364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.381364 (E_RNA)
where:
Base-Base interactions energy: -974.492
where: short stacking energy: -441.033
Base-Backbone interact. energy: -2.063
local terms energy: -549.825568
where:
bonds (distance) C4'-P energy: -123.542
bonds (distance) P-C4' energy: -139.101
flat angles C4'-P-C4' energy: -119.497
flat angles P-C4'-P energy: -70.798
tors. eta vs tors. theta energy: -96.887
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -999.310629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.310629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.310629 (E_RNA)
where:
Base-Base interactions energy: -537.397
where: short stacking energy: -292.316
Base-Backbone interact. energy: -4.041
local terms energy: -457.873129
where:
bonds (distance) C4'-P energy: -128.009
bonds (distance) P-C4' energy: -136.143
flat angles C4'-P-C4' energy: -111.303
flat angles P-C4'-P energy: -66.837
tors. eta vs tors. theta energy: -15.581
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: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -843.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.487643 (E_RNA)
where:
Base-Base interactions energy: -447.315
where: short stacking energy: -273.177
Base-Backbone interact. energy: 6.508
local terms energy: -402.680987
where:
bonds (distance) C4'-P energy: -102.816
bonds (distance) P-C4' energy: -133.994
flat angles C4'-P-C4' energy: -106.036
flat angles P-C4'-P energy: -48.031
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: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2842.407311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.407311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.407311 (E_RNA)
where:
Base-Base interactions energy: -1966.512
where: short stacking energy: -776.882
Base-Backbone interact. energy: -0.989
local terms energy: -874.905344
where:
bonds (distance) C4'-P energy: -162.034
bonds (distance) P-C4' energy: -173.260
flat angles C4'-P-C4' energy: -186.510
flat angles P-C4'-P energy: -129.237
tors. eta vs tors. theta energy: -223.864
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: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2693.868678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.868678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.868678 (E_RNA)
where:
Base-Base interactions energy: -1882.762
where: short stacking energy: -751.845
Base-Backbone interact. energy: -2.944
local terms energy: -808.162281
where:
bonds (distance) C4'-P energy: -148.880
bonds (distance) P-C4' energy: -164.817
flat angles C4'-P-C4' energy: -169.948
flat angles P-C4'-P energy: -110.062
tors. eta vs tors. theta energy: -214.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2494.624614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.624614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.624614 (E_RNA)
where:
Base-Base interactions energy: -1676.314
where: short stacking energy: -712.798
Base-Backbone interact. energy: -4.106
local terms energy: -814.203951
where:
bonds (distance) C4'-P energy: -162.553
bonds (distance) P-C4' energy: -151.104
flat angles C4'-P-C4' energy: -165.229
flat angles P-C4'-P energy: -119.709
tors. eta vs tors. theta energy: -215.610
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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2257.807044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.807044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.807044 (E_RNA)
where:
Base-Base interactions energy: -1466.900
where: short stacking energy: -661.047
Base-Backbone interact. energy: -3.129
local terms energy: -787.778476
where:
bonds (distance) C4'-P energy: -156.392
bonds (distance) P-C4' energy: -165.448
flat angles C4'-P-C4' energy: -168.469
flat angles P-C4'-P energy: -104.836
tors. eta vs tors. theta energy: -192.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2192.728271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.728271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.728271 (E_RNA)
where:
Base-Base interactions energy: -1513.505
where: short stacking energy: -659.840
Base-Backbone interact. energy: -0.193
local terms energy: -679.030232
where:
bonds (distance) C4'-P energy: -144.129
bonds (distance) P-C4' energy: -132.564
flat angles C4'-P-C4' energy: -127.445
flat angles P-C4'-P energy: -94.182
tors. eta vs tors. theta energy: -180.710
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: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2071.451542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.451542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.451542 (E_RNA)
where:
Base-Base interactions energy: -1360.446
where: short stacking energy: -607.652
Base-Backbone interact. energy: -2.255
local terms energy: -708.750306
where:
bonds (distance) C4'-P energy: -135.198
bonds (distance) P-C4' energy: -151.193
flat angles C4'-P-C4' energy: -161.966
flat angles P-C4'-P energy: -104.643
tors. eta vs tors. theta energy: -155.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1586.636769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.636769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.636769 (E_RNA)
where:
Base-Base interactions energy: -1002.341
where: short stacking energy: -419.432
Base-Backbone interact. energy: -1.752
local terms energy: -582.543193
where:
bonds (distance) C4'-P energy: -129.212
bonds (distance) P-C4' energy: -142.902
flat angles C4'-P-C4' energy: -143.523
flat angles P-C4'-P energy: -78.076
tors. eta vs tors. theta energy: -88.830
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: 393
Temperature: 1.250000
Total energy: -1548.889993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.889993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.889993 (E_RNA)
where:
Base-Base interactions energy: -968.184
where: short stacking energy: -447.448
Base-Backbone interact. energy: -1.293
local terms energy: -579.413272
where:
bonds (distance) C4'-P energy: -150.756
bonds (distance) P-C4' energy: -133.187
flat angles C4'-P-C4' energy: -116.442
flat angles P-C4'-P energy: -84.595
tors. eta vs tors. theta energy: -94.433
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -956.100620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.100620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.100620 (E_RNA)
where:
Base-Base interactions energy: -477.417
where: short stacking energy: -271.396
Base-Backbone interact. energy: 6.088
local terms energy: -484.771582
where:
bonds (distance) C4'-P energy: -133.275
bonds (distance) P-C4' energy: -140.020
flat angles C4'-P-C4' energy: -114.908
flat angles P-C4'-P energy: -85.401
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -742.690884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.690884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.690884 (E_RNA)
where:
Base-Base interactions energy: -333.164
where: short stacking energy: -217.917
Base-Backbone interact. energy: 2.237
local terms energy: -411.763819
where:
bonds (distance) C4'-P energy: -138.042
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -101.477
flat angles P-C4'-P energy: -68.068
tors. eta vs tors. theta energy: 14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2818.420436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.420436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.420436 (E_RNA)
where:
Base-Base interactions energy: -1972.898
where: short stacking energy: -794.991
Base-Backbone interact. energy: -3.223
local terms energy: -842.299000
where:
bonds (distance) C4'-P energy: -163.388
bonds (distance) P-C4' energy: -158.506
flat angles C4'-P-C4' energy: -179.993
flat angles P-C4'-P energy: -111.353
tors. eta vs tors. theta energy: -229.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2712.541212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.541212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.541212 (E_RNA)
where:
Base-Base interactions energy: -1894.748
where: short stacking energy: -747.688
Base-Backbone interact. energy: -0.475
local terms energy: -817.318125
where:
bonds (distance) C4'-P energy: -163.113
bonds (distance) P-C4' energy: -152.637
flat angles C4'-P-C4' energy: -173.269
flat angles P-C4'-P energy: -117.828
tors. eta vs tors. theta energy: -210.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2465.316092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.316092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.316092 (E_RNA)
where:
Base-Base interactions energy: -1675.565
where: short stacking energy: -725.815
Base-Backbone interact. energy: -3.147
local terms energy: -786.603884
where:
bonds (distance) C4'-P energy: -144.152
bonds (distance) P-C4' energy: -145.801
flat angles C4'-P-C4' energy: -173.719
flat angles P-C4'-P energy: -109.705
tors. eta vs tors. theta energy: -213.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2272.313532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.313532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.313532 (E_RNA)
where:
Base-Base interactions energy: -1518.120
where: short stacking energy: -664.525
Base-Backbone interact. energy: -1.068
local terms energy: -753.125032
where:
bonds (distance) C4'-P energy: -142.903
bonds (distance) P-C4' energy: -141.861
flat angles C4'-P-C4' energy: -165.111
flat angles P-C4'-P energy: -111.156
tors. eta vs tors. theta energy: -192.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2215.309509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.309509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.309509 (E_RNA)
where:
Base-Base interactions energy: -1443.233
where: short stacking energy: -630.023
Base-Backbone interact. energy: -1.801
local terms energy: -770.275487
where:
bonds (distance) C4'-P energy: -153.233
bonds (distance) P-C4' energy: -141.697
flat angles C4'-P-C4' energy: -170.055
flat angles P-C4'-P energy: -110.991
tors. eta vs tors. theta energy: -194.299
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2033.771951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.771951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.771951 (E_RNA)
where:
Base-Base interactions energy: -1324.455
where: short stacking energy: -583.986
Base-Backbone interact. energy: -0.842
local terms energy: -708.474873
where:
bonds (distance) C4'-P energy: -151.409
bonds (distance) P-C4' energy: -158.858
flat angles C4'-P-C4' energy: -143.897
flat angles P-C4'-P energy: -101.612
tors. eta vs tors. theta energy: -152.699
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: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1619.555605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.555605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.555605 (E_RNA)
where:
Base-Base interactions energy: -1011.480
where: short stacking energy: -456.254
Base-Backbone interact. energy: -4.273
local terms energy: -603.802213
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -150.674
flat angles C4'-P-C4' energy: -145.672
flat angles P-C4'-P energy: -92.950
tors. eta vs tors. theta energy: -87.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1503.992008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.992008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.992008 (E_RNA)
where:
Base-Base interactions energy: -933.281
where: short stacking energy: -421.441
Base-Backbone interact. energy: 2.319
local terms energy: -573.030641
where:
bonds (distance) C4'-P energy: -116.676
bonds (distance) P-C4' energy: -161.544
flat angles C4'-P-C4' energy: -122.821
flat angles P-C4'-P energy: -87.553
tors. eta vs tors. theta energy: -84.437
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: 394
Temperature: 1.300000
Total energy: -919.356832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.356832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.356832 (E_RNA)
where:
Base-Base interactions energy: -434.896
where: short stacking energy: -263.317
Base-Backbone interact. energy: 1.965
local terms energy: -486.425831
where:
bonds (distance) C4'-P energy: -135.373
bonds (distance) P-C4' energy: -137.697
flat angles C4'-P-C4' energy: -128.146
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -8.835
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: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -788.223778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.223778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.223778 (E_RNA)
where:
Base-Base interactions energy: -379.386
where: short stacking energy: -222.602
Base-Backbone interact. energy: 4.641
local terms energy: -413.477835
where:
bonds (distance) C4'-P energy: -126.475
bonds (distance) P-C4' energy: -119.014
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -65.443
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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2837.160532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.160532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.160532 (E_RNA)
where:
Base-Base interactions energy: -1996.077
where: short stacking energy: -769.766
Base-Backbone interact. energy: -5.931
local terms energy: -835.152702
where:
bonds (distance) C4'-P energy: -153.613
bonds (distance) P-C4' energy: -163.395
flat angles C4'-P-C4' energy: -175.015
flat angles P-C4'-P energy: -121.015
tors. eta vs tors. theta energy: -222.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2720.983629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.983629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.983629 (E_RNA)
where:
Base-Base interactions energy: -1902.756
where: short stacking energy: -772.286
Base-Backbone interact. energy: -6.104
local terms energy: -812.122877
where:
bonds (distance) C4'-P energy: -158.624
bonds (distance) P-C4' energy: -162.102
flat angles C4'-P-C4' energy: -170.955
flat angles P-C4'-P energy: -102.710
tors. eta vs tors. theta energy: -217.731
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: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2474.855840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.855840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.855840 (E_RNA)
where:
Base-Base interactions energy: -1680.829
where: short stacking energy: -733.017
Base-Backbone interact. energy: -6.198
local terms energy: -787.828883
where:
bonds (distance) C4'-P energy: -148.862
bonds (distance) P-C4' energy: -159.238
flat angles C4'-P-C4' energy: -160.418
flat angles P-C4'-P energy: -104.869
tors. eta vs tors. theta energy: -214.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2320.196123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.196123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.196123 (E_RNA)
where:
Base-Base interactions energy: -1555.477
where: short stacking energy: -709.627
Base-Backbone interact. energy: 1.891
local terms energy: -766.610390
where:
bonds (distance) C4'-P energy: -152.184
bonds (distance) P-C4' energy: -151.674
flat angles C4'-P-C4' energy: -178.155
flat angles P-C4'-P energy: -96.053
tors. eta vs tors. theta energy: -188.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2193.469606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.469606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.469606 (E_RNA)
where:
Base-Base interactions energy: -1457.444
where: short stacking energy: -639.556
Base-Backbone interact. energy: -2.316
local terms energy: -733.709292
where:
bonds (distance) C4'-P energy: -146.143
bonds (distance) P-C4' energy: -137.468
flat angles C4'-P-C4' energy: -155.829
flat angles P-C4'-P energy: -112.736
tors. eta vs tors. theta energy: -181.534
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2193.175841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.175841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.175841 (E_RNA)
where:
Base-Base interactions energy: -1467.410
where: short stacking energy: -665.896
Base-Backbone interact. energy: 8.101
local terms energy: -734.201231
where:
bonds (distance) C4'-P energy: -137.676
bonds (distance) P-C4' energy: -138.905
flat angles C4'-P-C4' energy: -162.107
flat angles P-C4'-P energy: -101.395
tors. eta vs tors. theta energy: -194.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1745.701830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.701830 (E_RNA)
where:
Base-Base interactions energy: -1121.145
where: short stacking energy: -503.224
Base-Backbone interact. energy: 2.056
local terms energy: -626.612348
where:
bonds (distance) C4'-P energy: -134.239
bonds (distance) P-C4' energy: -142.054
flat angles C4'-P-C4' energy: -135.481
flat angles P-C4'-P energy: -98.879
tors. eta vs tors. theta energy: -115.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1460.037600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.037600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.037600 (E_RNA)
where:
Base-Base interactions energy: -889.129
where: short stacking energy: -411.583
Base-Backbone interact. energy: 0.629
local terms energy: -571.537584
where:
bonds (distance) C4'-P energy: -127.138
bonds (distance) P-C4' energy: -146.805
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -89.698
tors. eta vs tors. theta energy: -90.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -896.812088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.812088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.812088 (E_RNA)
where:
Base-Base interactions energy: -414.920
where: short stacking energy: -233.559
Base-Backbone interact. energy: -2.529
local terms energy: -479.362971
where:
bonds (distance) C4'-P energy: -134.321
bonds (distance) P-C4' energy: -143.710
flat angles C4'-P-C4' energy: -131.641
flat angles P-C4'-P energy: -72.409
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -824.970778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.970778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.970778 (E_RNA)
where:
Base-Base interactions energy: -381.902
where: short stacking energy: -215.482
Base-Backbone interact. energy: 4.524
local terms energy: -447.592908
where:
bonds (distance) C4'-P energy: -110.744
bonds (distance) P-C4' energy: -139.288
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -77.700
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2814.231178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.231178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.231178 (E_RNA)
where:
Base-Base interactions energy: -1968.801
where: short stacking energy: -756.833
Base-Backbone interact. energy: -4.735
local terms energy: -840.695046
where:
bonds (distance) C4'-P energy: -147.904
bonds (distance) P-C4' energy: -163.708
flat angles C4'-P-C4' energy: -177.439
flat angles P-C4'-P energy: -126.709
tors. eta vs tors. theta energy: -224.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2683.603141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.603141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.603141 (E_RNA)
where:
Base-Base interactions energy: -1876.562
where: short stacking energy: -748.896
Base-Backbone interact. energy: -2.069
local terms energy: -804.972110
where:
bonds (distance) C4'-P energy: -156.190
bonds (distance) P-C4' energy: -160.081
flat angles C4'-P-C4' energy: -171.311
flat angles P-C4'-P energy: -108.878
tors. eta vs tors. theta energy: -208.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2466.944944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.944944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.944944 (E_RNA)
where:
Base-Base interactions energy: -1640.332
where: short stacking energy: -712.730
Base-Backbone interact. energy: -2.171
local terms energy: -824.615245
where:
bonds (distance) C4'-P energy: -152.836
bonds (distance) P-C4' energy: -172.639
flat angles C4'-P-C4' energy: -173.861
flat angles P-C4'-P energy: -118.442
tors. eta vs tors. theta energy: -206.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.174 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2372.193245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.193245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.193245 (E_RNA)
where:
Base-Base interactions energy: -1586.418
where: short stacking energy: -705.277
Base-Backbone interact. energy: -1.488
local terms energy: -784.286911
where:
bonds (distance) C4'-P energy: -145.555
bonds (distance) P-C4' energy: -148.919
flat angles C4'-P-C4' energy: -165.986
flat angles P-C4'-P energy: -108.028
tors. eta vs tors. theta energy: -215.799
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: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2241.093253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.093253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.093253 (E_RNA)
where:
Base-Base interactions energy: -1495.428
where: short stacking energy: -657.559
Base-Backbone interact. energy: 1.209
local terms energy: -746.874691
where:
bonds (distance) C4'-P energy: -140.384
bonds (distance) P-C4' energy: -161.709
flat angles C4'-P-C4' energy: -139.120
flat angles P-C4'-P energy: -116.655
tors. eta vs tors. theta energy: -189.006
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: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2108.712282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.712282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.712282 (E_RNA)
where:
Base-Base interactions energy: -1436.023
where: short stacking energy: -611.801
Base-Backbone interact. energy: -1.102
local terms energy: -671.587096
where:
bonds (distance) C4'-P energy: -122.839
bonds (distance) P-C4' energy: -126.411
flat angles C4'-P-C4' energy: -164.777
flat angles P-C4'-P energy: -87.549
tors. eta vs tors. theta energy: -170.011
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1701.952041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.952041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.952041 (E_RNA)
where:
Base-Base interactions energy: -1107.722
where: short stacking energy: -477.153
Base-Backbone interact. energy: 0.068
local terms energy: -594.298544
where:
bonds (distance) C4'-P energy: -116.240
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -146.984
flat angles P-C4'-P energy: -88.875
tors. eta vs tors. theta energy: -107.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1499.329963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.329963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.329963 (E_RNA)
where:
Base-Base interactions energy: -946.052
where: short stacking energy: -417.603
Base-Backbone interact. energy: -0.957
local terms energy: -552.320097
where:
bonds (distance) C4'-P energy: -140.425
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -131.968
flat angles P-C4'-P energy: -74.331
tors. eta vs tors. theta energy: -78.374
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: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -936.822669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.822669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.822669 (E_RNA)
where:
Base-Base interactions energy: -494.434
where: short stacking energy: -274.180
Base-Backbone interact. energy: 7.979
local terms energy: -450.367183
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -129.833
flat angles C4'-P-C4' energy: -134.563
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -830.280154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.280154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.280154 (E_RNA)
where:
Base-Base interactions energy: -399.482
where: short stacking energy: -214.489
Base-Backbone interact. energy: -1.037
local terms energy: -429.760636
where:
bonds (distance) C4'-P energy: -120.756
bonds (distance) P-C4' energy: -140.645
flat angles C4'-P-C4' energy: -107.414
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: 6.906
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: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2825.997852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.997852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.997852 (E_RNA)
where:
Base-Base interactions energy: -1935.379
where: short stacking energy: -779.022
Base-Backbone interact. energy: -4.200
local terms energy: -886.419175
where:
bonds (distance) C4'-P energy: -164.976
bonds (distance) P-C4' energy: -170.421
flat angles C4'-P-C4' energy: -193.140
flat angles P-C4'-P energy: -128.860
tors. eta vs tors. theta energy: -229.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2655.086669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.086669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.086669 (E_RNA)
where:
Base-Base interactions energy: -1827.491
where: short stacking energy: -742.475
Base-Backbone interact. energy: -4.459
local terms energy: -823.136011
where:
bonds (distance) C4'-P energy: -139.251
bonds (distance) P-C4' energy: -165.869
flat angles C4'-P-C4' energy: -175.044
flat angles P-C4'-P energy: -126.809
tors. eta vs tors. theta energy: -216.162
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: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2474.560413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.560413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.560413 (E_RNA)
where:
Base-Base interactions energy: -1684.546
where: short stacking energy: -728.412
Base-Backbone interact. energy: -3.325
local terms energy: -786.689236
where:
bonds (distance) C4'-P energy: -132.332
bonds (distance) P-C4' energy: -155.630
flat angles C4'-P-C4' energy: -169.270
flat angles P-C4'-P energy: -114.675
tors. eta vs tors. theta energy: -214.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2350.551966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.551966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.551966 (E_RNA)
where:
Base-Base interactions energy: -1583.922
where: short stacking energy: -710.748
Base-Backbone interact. energy: 0.436
local terms energy: -767.065972
where:
bonds (distance) C4'-P energy: -134.653
bonds (distance) P-C4' energy: -126.872
flat angles C4'-P-C4' energy: -178.680
flat angles P-C4'-P energy: -115.896
tors. eta vs tors. theta energy: -210.965
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2253.056515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.056515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.056515 (E_RNA)
where:
Base-Base interactions energy: -1489.580
where: short stacking energy: -639.091
Base-Backbone interact. energy: -0.515
local terms energy: -762.960856
where:
bonds (distance) C4'-P energy: -140.666
bonds (distance) P-C4' energy: -156.911
flat angles C4'-P-C4' energy: -164.596
flat angles P-C4'-P energy: -114.519
tors. eta vs tors. theta energy: -186.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2181.543042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.543042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.543042 (E_RNA)
where:
Base-Base interactions energy: -1457.146
where: short stacking energy: -647.366
Base-Backbone interact. energy: -2.777
local terms energy: -721.619532
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -143.790
flat angles C4'-P-C4' energy: -160.196
flat angles P-C4'-P energy: -88.996
tors. eta vs tors. theta energy: -184.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1733.207519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.207519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.207519 (E_RNA)
where:
Base-Base interactions energy: -1130.085
where: short stacking energy: -497.694
Base-Backbone interact. energy: -0.784
local terms energy: -602.338858
where:
bonds (distance) C4'-P energy: -138.498
bonds (distance) P-C4' energy: -150.410
flat angles C4'-P-C4' energy: -133.993
flat angles P-C4'-P energy: -71.451
tors. eta vs tors. theta energy: -107.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1452.338987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.338987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.338987 (E_RNA)
where:
Base-Base interactions energy: -913.125
where: short stacking energy: -400.634
Base-Backbone interact. energy: 5.336
local terms energy: -544.549940
where:
bonds (distance) C4'-P energy: -146.508
bonds (distance) P-C4' energy: -139.606
flat angles C4'-P-C4' energy: -117.705
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -61.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -953.003193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.003193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.003193 (E_RNA)
where:
Base-Base interactions energy: -482.236
where: short stacking energy: -234.280
Base-Backbone interact. energy: -0.485
local terms energy: -470.281485
where:
bonds (distance) C4'-P energy: -136.120
bonds (distance) P-C4' energy: -125.125
flat angles C4'-P-C4' energy: -121.102
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -756.330402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.330402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.330402 (E_RNA)
where:
Base-Base interactions energy: -361.853
where: short stacking energy: -214.824
Base-Backbone interact. energy: 6.163
local terms energy: -400.640720
where:
bonds (distance) C4'-P energy: -129.784
bonds (distance) P-C4' energy: -131.779
flat angles C4'-P-C4' energy: -91.559
flat angles P-C4'-P energy: -60.279
tors. eta vs tors. theta energy: 12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2828.594113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.594113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.594113 (E_RNA)
where:
Base-Base interactions energy: -1977.204
where: short stacking energy: -783.185
Base-Backbone interact. energy: -0.595
local terms energy: -850.795026
where:
bonds (distance) C4'-P energy: -165.222
bonds (distance) P-C4' energy: -159.265
flat angles C4'-P-C4' energy: -182.430
flat angles P-C4'-P energy: -118.020
tors. eta vs tors. theta energy: -225.858
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2671.017734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.017734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.017734 (E_RNA)
where:
Base-Base interactions energy: -1849.996
where: short stacking energy: -760.122
Base-Backbone interact. energy: -1.704
local terms energy: -819.317693
where:
bonds (distance) C4'-P energy: -139.971
bonds (distance) P-C4' energy: -152.720
flat angles C4'-P-C4' energy: -171.616
flat angles P-C4'-P energy: -125.979
tors. eta vs tors. theta energy: -229.032
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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2478.268194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.268194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.268194 (E_RNA)
where:
Base-Base interactions energy: -1671.221
where: short stacking energy: -696.024
Base-Backbone interact. energy: -4.638
local terms energy: -802.802113
where:
bonds (distance) C4'-P energy: -147.318
bonds (distance) P-C4' energy: -162.517
flat angles C4'-P-C4' energy: -188.088
flat angles P-C4'-P energy: -113.876
tors. eta vs tors. theta energy: -191.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.393 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2349.094437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.094437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.094437 (E_RNA)
where:
Base-Base interactions energy: -1558.122
where: short stacking energy: -689.550
Base-Backbone interact. energy: 0.160
local terms energy: -791.132381
where:
bonds (distance) C4'-P energy: -154.737
bonds (distance) P-C4' energy: -157.977
flat angles C4'-P-C4' energy: -178.935
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -192.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2224.516414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.516414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.516414 (E_RNA)
where:
Base-Base interactions energy: -1476.657
where: short stacking energy: -643.623
Base-Backbone interact. energy: -4.383
local terms energy: -743.477177
where:
bonds (distance) C4'-P energy: -152.702
bonds (distance) P-C4' energy: -136.907
flat angles C4'-P-C4' energy: -157.707
flat angles P-C4'-P energy: -110.587
tors. eta vs tors. theta energy: -185.574
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2175.690799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.690799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.690799 (E_RNA)
where:
Base-Base interactions energy: -1490.193
where: short stacking energy: -626.469
Base-Backbone interact. energy: 0.974
local terms energy: -686.471873
where:
bonds (distance) C4'-P energy: -135.938
bonds (distance) P-C4' energy: -135.730
flat angles C4'-P-C4' energy: -150.349
flat angles P-C4'-P energy: -96.034
tors. eta vs tors. theta energy: -168.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1760.106432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.106432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.106432 (E_RNA)
where:
Base-Base interactions energy: -1144.485
where: short stacking energy: -498.729
Base-Backbone interact. energy: -4.277
local terms energy: -611.345141
where:
bonds (distance) C4'-P energy: -135.376
bonds (distance) P-C4' energy: -122.525
flat angles C4'-P-C4' energy: -144.133
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -127.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1482.379986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.379986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.379986 (E_RNA)
where:
Base-Base interactions energy: -897.939
where: short stacking energy: -416.085
Base-Backbone interact. energy: 4.716
local terms energy: -589.157200
where:
bonds (distance) C4'-P energy: -147.138
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -150.965
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -949.618726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.618726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.618726 (E_RNA)
where:
Base-Base interactions energy: -498.010
where: short stacking energy: -272.938
Base-Backbone interact. energy: 2.853
local terms energy: -454.461577
where:
bonds (distance) C4'-P energy: -130.261
bonds (distance) P-C4' energy: -121.886
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -75.736
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -804.827896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.827896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.827896 (E_RNA)
where:
Base-Base interactions energy: -392.192
where: short stacking energy: -242.789
Base-Backbone interact. energy: 2.493
local terms energy: -415.128553
where:
bonds (distance) C4'-P energy: -127.091
bonds (distance) P-C4' energy: -123.502
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -65.914
tors. eta vs tors. theta energy: 11.108
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: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2820.743585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.743585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.743585 (E_RNA)
where:
Base-Base interactions energy: -1982.286
where: short stacking energy: -775.715
Base-Backbone interact. energy: 0.550
local terms energy: -839.008156
where:
bonds (distance) C4'-P energy: -163.667
bonds (distance) P-C4' energy: -160.564
flat angles C4'-P-C4' energy: -175.490
flat angles P-C4'-P energy: -121.401
tors. eta vs tors. theta energy: -217.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2686.094134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.094134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.094134 (E_RNA)
where:
Base-Base interactions energy: -1852.478
where: short stacking energy: -727.722
Base-Backbone interact. energy: -3.946
local terms energy: -829.670148
where:
bonds (distance) C4'-P energy: -151.513
bonds (distance) P-C4' energy: -161.891
flat angles C4'-P-C4' energy: -191.178
flat angles P-C4'-P energy: -116.580
tors. eta vs tors. theta energy: -208.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2506.685332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.685332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.685332 (E_RNA)
where:
Base-Base interactions energy: -1698.144
where: short stacking energy: -721.324
Base-Backbone interact. energy: -2.450
local terms energy: -806.091610
where:
bonds (distance) C4'-P energy: -163.420
bonds (distance) P-C4' energy: -148.489
flat angles C4'-P-C4' energy: -167.608
flat angles P-C4'-P energy: -118.535
tors. eta vs tors. theta energy: -208.039
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: 399
Temperature: 1.050000
Total energy: -2346.102629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.102629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.102629 (E_RNA)
where:
Base-Base interactions energy: -1577.691
where: short stacking energy: -667.177
Base-Backbone interact. energy: -1.394
local terms energy: -767.017566
where:
bonds (distance) C4'-P energy: -124.508
bonds (distance) P-C4' energy: -149.212
flat angles C4'-P-C4' energy: -166.082
flat angles P-C4'-P energy: -124.582
tors. eta vs tors. theta energy: -202.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2172.986377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.986377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.986377 (E_RNA)
where:
Base-Base interactions energy: -1458.848
where: short stacking energy: -654.178
Base-Backbone interact. energy: 3.170
local terms energy: -717.309081
where:
bonds (distance) C4'-P energy: -131.784
bonds (distance) P-C4' energy: -144.437
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -106.811
tors. eta vs tors. theta energy: -183.932
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2114.828072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.828072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.828072 (E_RNA)
where:
Base-Base interactions energy: -1420.917
where: short stacking energy: -607.776
Base-Backbone interact. energy: -1.309
local terms energy: -692.601987
where:
bonds (distance) C4'-P energy: -128.605
bonds (distance) P-C4' energy: -147.685
flat angles C4'-P-C4' energy: -153.288
flat angles P-C4'-P energy: -96.599
tors. eta vs tors. theta energy: -166.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1836.424584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.424584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.424584 (E_RNA)
where:
Base-Base interactions energy: -1186.159
where: short stacking energy: -522.563
Base-Backbone interact. energy: -3.238
local terms energy: -647.028177
where:
bonds (distance) C4'-P energy: -147.780
bonds (distance) P-C4' energy: -145.642
flat angles C4'-P-C4' energy: -143.771
flat angles P-C4'-P energy: -82.768
tors. eta vs tors. theta energy: -127.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1437.100598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.100598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.100598 (E_RNA)
where:
Base-Base interactions energy: -882.455
where: short stacking energy: -401.092
Base-Backbone interact. energy: -6.577
local terms energy: -548.068053
where:
bonds (distance) C4'-P energy: -140.535
bonds (distance) P-C4' energy: -127.252
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -88.571
tors. eta vs tors. theta energy: -55.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -876.427158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.427158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.427158 (E_RNA)
where:
Base-Base interactions energy: -461.028
where: short stacking energy: -263.808
Base-Backbone interact. energy: 2.386
local terms energy: -417.785447
where:
bonds (distance) C4'-P energy: -132.649
bonds (distance) P-C4' energy: -129.133
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -765.973222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.973222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.973222 (E_RNA)
where:
Base-Base interactions energy: -334.942
where: short stacking energy: -218.086
Base-Backbone interact. energy: -1.495
local terms energy: -429.535862
where:
bonds (distance) C4'-P energy: -136.550
bonds (distance) P-C4' energy: -139.885
flat angles C4'-P-C4' energy: -111.914
flat angles P-C4'-P energy: -67.178
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: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2825.686264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.686264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.686264 (E_RNA)
where:
Base-Base interactions energy: -1957.068
where: short stacking energy: -781.845
Base-Backbone interact. energy: -2.395
local terms energy: -866.223309
where:
bonds (distance) C4'-P energy: -158.905
bonds (distance) P-C4' energy: -163.956
flat angles C4'-P-C4' energy: -188.082
flat angles P-C4'-P energy: -122.045
tors. eta vs tors. theta energy: -233.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2703.505057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.505057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.505057 (E_RNA)
where:
Base-Base interactions energy: -1887.792
where: short stacking energy: -773.062
Base-Backbone interact. energy: -3.153
local terms energy: -812.560464
where:
bonds (distance) C4'-P energy: -147.862
bonds (distance) P-C4' energy: -167.668
flat angles C4'-P-C4' energy: -166.593
flat angles P-C4'-P energy: -117.869
tors. eta vs tors. theta energy: -212.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2513.202133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.202133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.202133 (E_RNA)
where:
Base-Base interactions energy: -1711.095
where: short stacking energy: -754.992
Base-Backbone interact. energy: -2.172
local terms energy: -799.934756
where:
bonds (distance) C4'-P energy: -155.764
bonds (distance) P-C4' energy: -150.446
flat angles C4'-P-C4' energy: -173.845
flat angles P-C4'-P energy: -110.821
tors. eta vs tors. theta energy: -209.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2319.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.535843 (E_RNA)
where:
Base-Base interactions energy: -1559.973
where: short stacking energy: -679.275
Base-Backbone interact. energy: -1.715
local terms energy: -757.847826
where:
bonds (distance) C4'-P energy: -159.973
bonds (distance) P-C4' energy: -137.403
flat angles C4'-P-C4' energy: -173.483
flat angles P-C4'-P energy: -101.181
tors. eta vs tors. theta energy: -185.807
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: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2212.141247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.141247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.141247 (E_RNA)
where:
Base-Base interactions energy: -1475.573
where: short stacking energy: -661.519
Base-Backbone interact. energy: -2.280
local terms energy: -734.287882
where:
bonds (distance) C4'-P energy: -144.610
bonds (distance) P-C4' energy: -128.017
flat angles C4'-P-C4' energy: -160.606
flat angles P-C4'-P energy: -115.970
tors. eta vs tors. theta energy: -185.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2071.900576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.900576 (E_RNA)
where:
Base-Base interactions energy: -1373.575
where: short stacking energy: -601.568
Base-Backbone interact. energy: -2.851
local terms energy: -695.474640
where:
bonds (distance) C4'-P energy: -134.403
bonds (distance) P-C4' energy: -134.600
flat angles C4'-P-C4' energy: -157.937
flat angles P-C4'-P energy: -94.086
tors. eta vs tors. theta energy: -174.449
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: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1816.779376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.779376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.779376 (E_RNA)
where:
Base-Base interactions energy: -1199.154
where: short stacking energy: -523.465
Base-Backbone interact. energy: -3.724
local terms energy: -613.900709
where:
bonds (distance) C4'-P energy: -119.403
bonds (distance) P-C4' energy: -135.926
flat angles C4'-P-C4' energy: -159.550
flat angles P-C4'-P energy: -71.195
tors. eta vs tors. theta energy: -127.827
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: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1477.538494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.538494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.538494 (E_RNA)
where:
Base-Base interactions energy: -897.465
where: short stacking energy: -426.628
Base-Backbone interact. energy: -1.610
local terms energy: -578.463566
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -140.844
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -89.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -899.731252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.731252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.731252 (E_RNA)
where:
Base-Base interactions energy: -438.276
where: short stacking energy: -264.731
Base-Backbone interact. energy: -2.636
local terms energy: -462.504157
where:
bonds (distance) C4'-P energy: -143.472
bonds (distance) P-C4' energy: -146.332
flat angles C4'-P-C4' energy: -100.775
flat angles P-C4'-P energy: -64.062
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.685 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -813.764732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.764732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.764732 (E_RNA)
where:
Base-Base interactions energy: -388.300
where: short stacking energy: -221.584
Base-Backbone interact. energy: -4.742
local terms energy: -420.723244
where:
bonds (distance) C4'-P energy: -131.207
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: 0.574
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: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2813.699381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.699381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.699381 (E_RNA)
where:
Base-Base interactions energy: -1965.391
where: short stacking energy: -769.440
Base-Backbone interact. energy: -1.869
local terms energy: -846.440062
where:
bonds (distance) C4'-P energy: -153.743
bonds (distance) P-C4' energy: -160.206
flat angles C4'-P-C4' energy: -176.630
flat angles P-C4'-P energy: -121.592
tors. eta vs tors. theta energy: -234.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2673.832051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.832051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.832051 (E_RNA)
where:
Base-Base interactions energy: -1879.350
where: short stacking energy: -738.510
Base-Backbone interact. energy: -2.770
local terms energy: -791.711525
where:
bonds (distance) C4'-P energy: -147.454
bonds (distance) P-C4' energy: -163.575
flat angles C4'-P-C4' energy: -174.094
flat angles P-C4'-P energy: -90.463
tors. eta vs tors. theta energy: -216.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2466.899805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.899805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.899805 (E_RNA)
where:
Base-Base interactions energy: -1650.326
where: short stacking energy: -721.299
Base-Backbone interact. energy: -4.902
local terms energy: -811.906148
where:
bonds (distance) C4'-P energy: -146.333
bonds (distance) P-C4' energy: -163.969
flat angles C4'-P-C4' energy: -175.863
flat angles P-C4'-P energy: -116.120
tors. eta vs tors. theta energy: -209.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.234 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2357.083458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.083458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.083458 (E_RNA)
where:
Base-Base interactions energy: -1623.654
where: short stacking energy: -681.962
Base-Backbone interact. energy: 3.492
local terms energy: -736.921374
where:
bonds (distance) C4'-P energy: -135.101
bonds (distance) P-C4' energy: -154.954
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -97.368
tors. eta vs tors. theta energy: -194.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2211.910291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.910291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.910291 (E_RNA)
where:
Base-Base interactions energy: -1479.322
where: short stacking energy: -679.166
Base-Backbone interact. energy: -1.619
local terms energy: -730.969935
where:
bonds (distance) C4'-P energy: -141.533
bonds (distance) P-C4' energy: -141.554
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -101.891
tors. eta vs tors. theta energy: -186.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2059.339297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.339297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.339297 (E_RNA)
where:
Base-Base interactions energy: -1345.690
where: short stacking energy: -591.809
Base-Backbone interact. energy: 0.108
local terms energy: -713.757090
where:
bonds (distance) C4'-P energy: -139.694
bonds (distance) P-C4' energy: -142.222
flat angles C4'-P-C4' energy: -166.299
flat angles P-C4'-P energy: -99.563
tors. eta vs tors. theta energy: -165.979
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: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1881.643667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.643667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.643667 (E_RNA)
where:
Base-Base interactions energy: -1241.712
where: short stacking energy: -550.017
Base-Backbone interact. energy: -0.599
local terms energy: -639.332045
where:
bonds (distance) C4'-P energy: -128.168
bonds (distance) P-C4' energy: -133.074
flat angles C4'-P-C4' energy: -144.705
flat angles P-C4'-P energy: -91.750
tors. eta vs tors. theta energy: -141.636
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: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1506.164180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.164180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.164180 (E_RNA)
where:
Base-Base interactions energy: -928.506
where: short stacking energy: -403.608
Base-Backbone interact. energy: 0.834
local terms energy: -578.492400
where:
bonds (distance) C4'-P energy: -125.260
bonds (distance) P-C4' energy: -151.897
flat angles C4'-P-C4' energy: -138.243
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -918.874313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.874313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.874313 (E_RNA)
where:
Base-Base interactions energy: -485.916
where: short stacking energy: -273.460
Base-Backbone interact. energy: 8.138
local terms energy: -441.095406
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -111.378
flat angles P-C4'-P energy: -76.115
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -752.516781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.516781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.516781 (E_RNA)
where:
Base-Base interactions energy: -341.079
where: short stacking energy: -204.450
Base-Backbone interact. energy: -4.121
local terms energy: -407.316862
where:
bonds (distance) C4'-P energy: -108.082
bonds (distance) P-C4' energy: -148.498
flat angles C4'-P-C4' energy: -120.646
flat angles P-C4'-P energy: -51.401
tors. eta vs tors. theta energy: 21.310
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: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2803.985301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.985301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.985301 (E_RNA)
where:
Base-Base interactions energy: -1972.223
where: short stacking energy: -798.042
Base-Backbone interact. energy: -3.265
local terms energy: -828.497085
where:
bonds (distance) C4'-P energy: -149.387
bonds (distance) P-C4' energy: -143.509
flat angles C4'-P-C4' energy: -177.293
flat angles P-C4'-P energy: -131.760
tors. eta vs tors. theta energy: -226.548
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: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2672.015908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.015908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.015908 (E_RNA)
where:
Base-Base interactions energy: -1861.340
where: short stacking energy: -748.064
Base-Backbone interact. energy: -2.501
local terms energy: -808.174411
where:
bonds (distance) C4'-P energy: -153.169
bonds (distance) P-C4' energy: -150.421
flat angles C4'-P-C4' energy: -179.300
flat angles P-C4'-P energy: -117.086
tors. eta vs tors. theta energy: -208.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2424.503065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.503065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.503065 (E_RNA)
where:
Base-Base interactions energy: -1620.974
where: short stacking energy: -689.187
Base-Backbone interact. energy: -2.276
local terms energy: -801.252907
where:
bonds (distance) C4'-P energy: -159.396
bonds (distance) P-C4' energy: -152.830
flat angles C4'-P-C4' energy: -192.066
flat angles P-C4'-P energy: -110.429
tors. eta vs tors. theta energy: -186.531
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: 402
Temperature: 1.050000
Total energy: -2377.037364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.037364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.037364 (E_RNA)
where:
Base-Base interactions energy: -1589.101
where: short stacking energy: -704.229
Base-Backbone interact. energy: 0.440
local terms energy: -788.376673
where:
bonds (distance) C4'-P energy: -129.844
bonds (distance) P-C4' energy: -157.460
flat angles C4'-P-C4' energy: -177.962
flat angles P-C4'-P energy: -104.537
tors. eta vs tors. theta energy: -218.575
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: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2165.940083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.940083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.940083 (E_RNA)
where:
Base-Base interactions energy: -1440.905
where: short stacking energy: -624.778
Base-Backbone interact. energy: 3.679
local terms energy: -728.714191
where:
bonds (distance) C4'-P energy: -142.614
bonds (distance) P-C4' energy: -148.034
flat angles C4'-P-C4' energy: -170.422
flat angles P-C4'-P energy: -103.927
tors. eta vs tors. theta energy: -163.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2102.372794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.372794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.372794 (E_RNA)
where:
Base-Base interactions energy: -1426.448
where: short stacking energy: -624.333
Base-Backbone interact. energy: -2.297
local terms energy: -673.627635
where:
bonds (distance) C4'-P energy: -128.560
bonds (distance) P-C4' energy: -133.448
flat angles C4'-P-C4' energy: -161.839
flat angles P-C4'-P energy: -81.787
tors. eta vs tors. theta energy: -167.993
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: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1782.218608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.218608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.218608 (E_RNA)
where:
Base-Base interactions energy: -1171.623
where: short stacking energy: -505.685
Base-Backbone interact. energy: 0.671
local terms energy: -611.265938
where:
bonds (distance) C4'-P energy: -126.697
bonds (distance) P-C4' energy: -155.489
flat angles C4'-P-C4' energy: -126.188
flat angles P-C4'-P energy: -97.044
tors. eta vs tors. theta energy: -105.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1532.600686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.600686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.600686 (E_RNA)
where:
Base-Base interactions energy: -960.665
where: short stacking energy: -428.358
Base-Backbone interact. energy: 1.092
local terms energy: -573.027903
where:
bonds (distance) C4'-P energy: -134.599
bonds (distance) P-C4' energy: -141.441
flat angles C4'-P-C4' energy: -136.175
flat angles P-C4'-P energy: -74.650
tors. eta vs tors. theta energy: -86.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -916.078703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.078703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.078703 (E_RNA)
where:
Base-Base interactions energy: -448.136
where: short stacking energy: -240.536
Base-Backbone interact. energy: 0.638
local terms energy: -468.580937
where:
bonds (distance) C4'-P energy: -123.491
bonds (distance) P-C4' energy: -119.905
flat angles C4'-P-C4' energy: -136.823
flat angles P-C4'-P energy: -74.603
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -765.310025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.310025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.310025 (E_RNA)
where:
Base-Base interactions energy: -359.940
where: short stacking energy: -217.048
Base-Backbone interact. energy: 11.616
local terms energy: -416.985498
where:
bonds (distance) C4'-P energy: -122.170
bonds (distance) P-C4' energy: -147.389
flat angles C4'-P-C4' energy: -105.982
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: 3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2813.880323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.880323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.880323 (E_RNA)
where:
Base-Base interactions energy: -1949.940
where: short stacking energy: -798.332
Base-Backbone interact. energy: 0.206
local terms energy: -864.146224
where:
bonds (distance) C4'-P energy: -155.964
bonds (distance) P-C4' energy: -163.352
flat angles C4'-P-C4' energy: -188.778
flat angles P-C4'-P energy: -125.625
tors. eta vs tors. theta energy: -230.427
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: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2666.591756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.591756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.591756 (E_RNA)
where:
Base-Base interactions energy: -1839.114
where: short stacking energy: -765.963
Base-Backbone interact. energy: -3.997
local terms energy: -823.480702
where:
bonds (distance) C4'-P energy: -151.118
bonds (distance) P-C4' energy: -167.376
flat angles C4'-P-C4' energy: -172.629
flat angles P-C4'-P energy: -112.023
tors. eta vs tors. theta energy: -220.335
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2460.465752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.465752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.465752 (E_RNA)
where:
Base-Base interactions energy: -1670.374
where: short stacking energy: -729.954
Base-Backbone interact. energy: -2.967
local terms energy: -787.124653
where:
bonds (distance) C4'-P energy: -138.460
bonds (distance) P-C4' energy: -155.140
flat angles C4'-P-C4' energy: -172.868
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -210.392
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: 403
Temperature: 1.050000
Total energy: -2326.386042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.386042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.386042 (E_RNA)
where:
Base-Base interactions energy: -1517.762
where: short stacking energy: -665.041
Base-Backbone interact. energy: -2.159
local terms energy: -806.464584
where:
bonds (distance) C4'-P energy: -156.798
bonds (distance) P-C4' energy: -177.116
flat angles C4'-P-C4' energy: -168.347
flat angles P-C4'-P energy: -107.807
tors. eta vs tors. theta energy: -196.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2194.701894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.701894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.701894 (E_RNA)
where:
Base-Base interactions energy: -1458.507
where: short stacking energy: -663.716
Base-Backbone interact. energy: -1.061
local terms energy: -735.133487
where:
bonds (distance) C4'-P energy: -137.189
bonds (distance) P-C4' energy: -142.798
flat angles C4'-P-C4' energy: -170.755
flat angles P-C4'-P energy: -91.798
tors. eta vs tors. theta energy: -192.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2102.687418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.687418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.687418 (E_RNA)
where:
Base-Base interactions energy: -1394.033
where: short stacking energy: -618.462
Base-Backbone interact. energy: -1.342
local terms energy: -707.313179
where:
bonds (distance) C4'-P energy: -129.129
bonds (distance) P-C4' energy: -154.755
flat angles C4'-P-C4' energy: -164.723
flat angles P-C4'-P energy: -99.779
tors. eta vs tors. theta energy: -158.927
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: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1770.029175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.029175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.029175 (E_RNA)
where:
Base-Base interactions energy: -1155.089
where: short stacking energy: -499.163
Base-Backbone interact. energy: 0.595
local terms energy: -615.535003
where:
bonds (distance) C4'-P energy: -128.882
bonds (distance) P-C4' energy: -121.654
flat angles C4'-P-C4' energy: -158.548
flat angles P-C4'-P energy: -90.188
tors. eta vs tors. theta energy: -116.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1516.446882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.446882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.446882 (E_RNA)
where:
Base-Base interactions energy: -928.092
where: short stacking energy: -442.199
Base-Backbone interact. energy: -1.527
local terms energy: -586.827522
where:
bonds (distance) C4'-P energy: -130.295
bonds (distance) P-C4' energy: -135.173
flat angles C4'-P-C4' energy: -149.134
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -94.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -963.791743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.791743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.791743 (E_RNA)
where:
Base-Base interactions energy: -480.138
where: short stacking energy: -258.448
Base-Backbone interact. energy: 4.664
local terms energy: -488.317717
where:
bonds (distance) C4'-P energy: -132.125
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -126.551
flat angles P-C4'-P energy: -68.289
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -774.404443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.404443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.404443 (E_RNA)
where:
Base-Base interactions energy: -357.029
where: short stacking energy: -194.305
Base-Backbone interact. energy: -0.283
local terms energy: -417.093007
where:
bonds (distance) C4'-P energy: -117.221
bonds (distance) P-C4' energy: -144.354
flat angles C4'-P-C4' energy: -107.134
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: 14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2832.465433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.465433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.465433 (E_RNA)
where:
Base-Base interactions energy: -1982.079
where: short stacking energy: -801.094
Base-Backbone interact. energy: -5.881
local terms energy: -844.504974
where:
bonds (distance) C4'-P energy: -168.645
bonds (distance) P-C4' energy: -168.045
flat angles C4'-P-C4' energy: -171.438
flat angles P-C4'-P energy: -115.095
tors. eta vs tors. theta energy: -221.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2677.253708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.253708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.253708 (E_RNA)
where:
Base-Base interactions energy: -1840.358
where: short stacking energy: -737.080
Base-Backbone interact. energy: -4.625
local terms energy: -832.270356
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -176.229
flat angles C4'-P-C4' energy: -176.242
flat angles P-C4'-P energy: -122.344
tors. eta vs tors. theta energy: -215.284
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2432.047067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.047067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.047067 (E_RNA)
where:
Base-Base interactions energy: -1671.441
where: short stacking energy: -700.258
Base-Backbone interact. energy: -4.837
local terms energy: -755.769788
where:
bonds (distance) C4'-P energy: -129.123
bonds (distance) P-C4' energy: -161.517
flat angles C4'-P-C4' energy: -165.104
flat angles P-C4'-P energy: -104.624
tors. eta vs tors. theta energy: -195.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2405.158361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.158361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.158361 (E_RNA)
where:
Base-Base interactions energy: -1628.196
where: short stacking energy: -706.139
Base-Backbone interact. energy: -0.915
local terms energy: -776.047040
where:
bonds (distance) C4'-P energy: -140.074
bonds (distance) P-C4' energy: -145.103
flat angles C4'-P-C4' energy: -164.276
flat angles P-C4'-P energy: -110.088
tors. eta vs tors. theta energy: -216.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2187.739876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.739876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.739876 (E_RNA)
where:
Base-Base interactions energy: -1428.836
where: short stacking energy: -637.621
Base-Backbone interact. energy: -0.991
local terms energy: -757.913027
where:
bonds (distance) C4'-P energy: -147.832
bonds (distance) P-C4' energy: -151.564
flat angles C4'-P-C4' energy: -160.423
flat angles P-C4'-P energy: -107.914
tors. eta vs tors. theta energy: -190.180
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2131.318093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.318093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.318093 (E_RNA)
where:
Base-Base interactions energy: -1384.977
where: short stacking energy: -639.283
Base-Backbone interact. energy: 0.205
local terms energy: -746.546813
where:
bonds (distance) C4'-P energy: -153.479
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -154.039
flat angles P-C4'-P energy: -118.455
tors. eta vs tors. theta energy: -186.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1769.055562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.055562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.055562 (E_RNA)
where:
Base-Base interactions energy: -1146.020
where: short stacking energy: -485.722
Base-Backbone interact. energy: -3.574
local terms energy: -619.462054
where:
bonds (distance) C4'-P energy: -133.894
bonds (distance) P-C4' energy: -124.988
flat angles C4'-P-C4' energy: -143.185
flat angles P-C4'-P energy: -89.672
tors. eta vs tors. theta energy: -127.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1487.351199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.351199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.351199 (E_RNA)
where:
Base-Base interactions energy: -909.337
where: short stacking energy: -428.512
Base-Backbone interact. energy: 2.508
local terms energy: -580.522111
where:
bonds (distance) C4'-P energy: -141.692
bonds (distance) P-C4' energy: -144.794
flat angles C4'-P-C4' energy: -132.627
flat angles P-C4'-P energy: -73.340
tors. eta vs tors. theta energy: -88.069
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: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -941.394960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.394960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.394960 (E_RNA)
where:
Base-Base interactions energy: -479.553
where: short stacking energy: -296.789
Base-Backbone interact. energy: 6.611
local terms energy: -468.453619
where:
bonds (distance) C4'-P energy: -121.918
bonds (distance) P-C4' energy: -131.920
flat angles C4'-P-C4' energy: -127.437
flat angles P-C4'-P energy: -77.800
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -777.569778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.569778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.569778 (E_RNA)
where:
Base-Base interactions energy: -379.964
where: short stacking energy: -234.197
Base-Backbone interact. energy: 1.826
local terms energy: -399.431773
where:
bonds (distance) C4'-P energy: -122.786
bonds (distance) P-C4' energy: -128.918
flat angles C4'-P-C4' energy: -101.475
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: 9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2837.773291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.773291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.773291 (E_RNA)
where:
Base-Base interactions energy: -1992.603
where: short stacking energy: -812.566
Base-Backbone interact. energy: -4.807
local terms energy: -840.363655
where:
bonds (distance) C4'-P energy: -149.344
bonds (distance) P-C4' energy: -155.949
flat angles C4'-P-C4' energy: -183.135
flat angles P-C4'-P energy: -125.521
tors. eta vs tors. theta energy: -226.414
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: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2672.820484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.820484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.820484 (E_RNA)
where:
Base-Base interactions energy: -1854.739
where: short stacking energy: -777.324
Base-Backbone interact. energy: 0.542
local terms energy: -818.623077
where:
bonds (distance) C4'-P energy: -149.664
bonds (distance) P-C4' energy: -156.707
flat angles C4'-P-C4' energy: -171.289
flat angles P-C4'-P energy: -121.072
tors. eta vs tors. theta energy: -219.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2507.275898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.275898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.275898 (E_RNA)
where:
Base-Base interactions energy: -1717.007
where: short stacking energy: -723.791
Base-Backbone interact. energy: -3.888
local terms energy: -786.381273
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -155.849
flat angles C4'-P-C4' energy: -164.435
flat angles P-C4'-P energy: -118.409
tors. eta vs tors. theta energy: -206.589
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: 405
Temperature: 1.050000
Total energy: -2373.881045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.881045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.881045 (E_RNA)
where:
Base-Base interactions energy: -1599.164
where: short stacking energy: -704.529
Base-Backbone interact. energy: 0.604
local terms energy: -775.320870
where:
bonds (distance) C4'-P energy: -140.949
bonds (distance) P-C4' energy: -143.187
flat angles C4'-P-C4' energy: -174.899
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -215.849
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2163.845781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.845781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.845781 (E_RNA)
where:
Base-Base interactions energy: -1452.567
where: short stacking energy: -642.553
Base-Backbone interact. energy: -2.097
local terms energy: -709.181609
where:
bonds (distance) C4'-P energy: -145.229
bonds (distance) P-C4' energy: -120.300
flat angles C4'-P-C4' energy: -163.740
flat angles P-C4'-P energy: -117.328
tors. eta vs tors. theta energy: -162.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2171.029555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.029555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.029555 (E_RNA)
where:
Base-Base interactions energy: -1467.775
where: short stacking energy: -648.076
Base-Backbone interact. energy: 1.035
local terms energy: -704.289476
where:
bonds (distance) C4'-P energy: -127.695
bonds (distance) P-C4' energy: -154.221
flat angles C4'-P-C4' energy: -158.347
flat angles P-C4'-P energy: -72.956
tors. eta vs tors. theta energy: -191.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1735.245235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.245235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.245235 (E_RNA)
where:
Base-Base interactions energy: -1120.551
where: short stacking energy: -479.648
Base-Backbone interact. energy: 0.152
local terms energy: -614.846242
where:
bonds (distance) C4'-P energy: -135.965
bonds (distance) P-C4' energy: -121.734
flat angles C4'-P-C4' energy: -145.482
flat angles P-C4'-P energy: -89.880
tors. eta vs tors. theta energy: -121.785
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1464.830410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.830410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.830410 (E_RNA)
where:
Base-Base interactions energy: -892.021
where: short stacking energy: -401.797
Base-Backbone interact. energy: -0.241
local terms energy: -572.567552
where:
bonds (distance) C4'-P energy: -133.326
bonds (distance) P-C4' energy: -130.008
flat angles C4'-P-C4' energy: -138.131
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -79.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -952.794264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.794264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.794264 (E_RNA)
where:
Base-Base interactions energy: -512.171
where: short stacking energy: -286.375
Base-Backbone interact. energy: -0.997
local terms energy: -439.625910
where:
bonds (distance) C4'-P energy: -111.755
bonds (distance) P-C4' energy: -125.972
flat angles C4'-P-C4' energy: -122.573
flat angles P-C4'-P energy: -66.317
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -781.169548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.169548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.169548 (E_RNA)
where:
Base-Base interactions energy: -345.641
where: short stacking energy: -191.230
Base-Backbone interact. energy: 0.174
local terms energy: -435.702618
where:
bonds (distance) C4'-P energy: -126.402
bonds (distance) P-C4' energy: -119.998
flat angles C4'-P-C4' energy: -120.089
flat angles P-C4'-P energy: -84.398
tors. eta vs tors. theta energy: 15.184
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: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2822.538295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.538295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.538295 (E_RNA)
where:
Base-Base interactions energy: -1954.513
where: short stacking energy: -796.796
Base-Backbone interact. energy: -5.643
local terms energy: -862.382789
where:
bonds (distance) C4'-P energy: -165.019
bonds (distance) P-C4' energy: -168.459
flat angles C4'-P-C4' energy: -184.471
flat angles P-C4'-P energy: -116.959
tors. eta vs tors. theta energy: -227.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2685.542224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.542224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.542224 (E_RNA)
where:
Base-Base interactions energy: -1869.681
where: short stacking energy: -750.029
Base-Backbone interact. energy: -6.609
local terms energy: -809.251814
where:
bonds (distance) C4'-P energy: -162.012
bonds (distance) P-C4' energy: -153.808
flat angles C4'-P-C4' energy: -172.486
flat angles P-C4'-P energy: -114.920
tors. eta vs tors. theta energy: -206.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2465.202814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.202814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.202814 (E_RNA)
where:
Base-Base interactions energy: -1687.572
where: short stacking energy: -693.171
Base-Backbone interact. energy: -1.360
local terms energy: -777.004617
where:
bonds (distance) C4'-P energy: -150.950
bonds (distance) P-C4' energy: -149.601
flat angles C4'-P-C4' energy: -178.227
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -192.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.733 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2334.945047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.945047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.945047 (E_RNA)
where:
Base-Base interactions energy: -1566.433
where: short stacking energy: -672.996
Base-Backbone interact. energy: -0.302
local terms energy: -768.210422
where:
bonds (distance) C4'-P energy: -152.441
bonds (distance) P-C4' energy: -152.354
flat angles C4'-P-C4' energy: -172.687
flat angles P-C4'-P energy: -93.448
tors. eta vs tors. theta energy: -197.280
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: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2183.507683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.507683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.507683 (E_RNA)
where:
Base-Base interactions energy: -1450.470
where: short stacking energy: -655.106
Base-Backbone interact. energy: 2.013
local terms energy: -735.051288
where:
bonds (distance) C4'-P energy: -141.281
bonds (distance) P-C4' energy: -142.903
flat angles C4'-P-C4' energy: -164.261
flat angles P-C4'-P energy: -105.265
tors. eta vs tors. theta energy: -181.341
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2091.090858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.090858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.090858 (E_RNA)
where:
Base-Base interactions energy: -1406.415
where: short stacking energy: -619.632
Base-Backbone interact. energy: 3.526
local terms energy: -688.202074
where:
bonds (distance) C4'-P energy: -126.507
bonds (distance) P-C4' energy: -145.445
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -112.664
tors. eta vs tors. theta energy: -152.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1776.566578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.566578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.566578 (E_RNA)
where:
Base-Base interactions energy: -1149.218
where: short stacking energy: -524.784
Base-Backbone interact. energy: 0.747
local terms energy: -628.095325
where:
bonds (distance) C4'-P energy: -124.285
bonds (distance) P-C4' energy: -131.684
flat angles C4'-P-C4' energy: -145.261
flat angles P-C4'-P energy: -92.419
tors. eta vs tors. theta energy: -134.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1492.448878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.448878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.448878 (E_RNA)
where:
Base-Base interactions energy: -948.204
where: short stacking energy: -428.142
Base-Backbone interact. energy: -2.573
local terms energy: -541.672012
where:
bonds (distance) C4'-P energy: -144.637
bonds (distance) P-C4' energy: -113.665
flat angles C4'-P-C4' energy: -142.432
flat angles P-C4'-P energy: -71.323
tors. eta vs tors. theta energy: -69.615
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: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -982.455568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.455568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.455568 (E_RNA)
where:
Base-Base interactions energy: -511.919
where: short stacking energy: -271.447
Base-Backbone interact. energy: 0.279
local terms energy: -470.816305
where:
bonds (distance) C4'-P energy: -132.686
bonds (distance) P-C4' energy: -144.876
flat angles C4'-P-C4' energy: -114.957
flat angles P-C4'-P energy: -72.342
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -787.813141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.813141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.813141 (E_RNA)
where:
Base-Base interactions energy: -379.603
where: short stacking energy: -201.683
Base-Backbone interact. energy: -1.072
local terms energy: -407.137786
where:
bonds (distance) C4'-P energy: -121.964
bonds (distance) P-C4' energy: -129.851
flat angles C4'-P-C4' energy: -99.689
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2833.590864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.590864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.590864 (E_RNA)
where:
Base-Base interactions energy: -1987.351
where: short stacking energy: -799.049
Base-Backbone interact. energy: -1.495
local terms energy: -844.744717
where:
bonds (distance) C4'-P energy: -154.578
bonds (distance) P-C4' energy: -161.491
flat angles C4'-P-C4' energy: -185.643
flat angles P-C4'-P energy: -125.059
tors. eta vs tors. theta energy: -217.973
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: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2666.882550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.882550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.882550 (E_RNA)
where:
Base-Base interactions energy: -1849.798
where: short stacking energy: -753.890
Base-Backbone interact. energy: -0.768
local terms energy: -816.316550
where:
bonds (distance) C4'-P energy: -159.140
bonds (distance) P-C4' energy: -153.193
flat angles C4'-P-C4' energy: -173.722
flat angles P-C4'-P energy: -113.851
tors. eta vs tors. theta energy: -216.411
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2471.671645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.671645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.671645 (E_RNA)
where:
Base-Base interactions energy: -1680.616
where: short stacking energy: -703.158
Base-Backbone interact. energy: -5.098
local terms energy: -785.957898
where:
bonds (distance) C4'-P energy: -148.723
bonds (distance) P-C4' energy: -152.334
flat angles C4'-P-C4' energy: -172.188
flat angles P-C4'-P energy: -113.744
tors. eta vs tors. theta energy: -198.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2376.254288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.254288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.254288 (E_RNA)
where:
Base-Base interactions energy: -1570.078
where: short stacking energy: -700.075
Base-Backbone interact. energy: -1.070
local terms energy: -805.106116
where:
bonds (distance) C4'-P energy: -148.232
bonds (distance) P-C4' energy: -166.064
flat angles C4'-P-C4' energy: -174.938
flat angles P-C4'-P energy: -111.911
tors. eta vs tors. theta energy: -203.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2273.506321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.506321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.506321 (E_RNA)
where:
Base-Base interactions energy: -1521.911
where: short stacking energy: -662.961
Base-Backbone interact. energy: -2.429
local terms energy: -749.165470
where:
bonds (distance) C4'-P energy: -153.109
bonds (distance) P-C4' energy: -135.215
flat angles C4'-P-C4' energy: -163.370
flat angles P-C4'-P energy: -97.099
tors. eta vs tors. theta energy: -200.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2118.964315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.964315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.964315 (E_RNA)
where:
Base-Base interactions energy: -1406.059
where: short stacking energy: -612.439
Base-Backbone interact. energy: -4.755
local terms energy: -708.150246
where:
bonds (distance) C4'-P energy: -136.040
bonds (distance) P-C4' energy: -136.121
flat angles C4'-P-C4' energy: -167.533
flat angles P-C4'-P energy: -103.653
tors. eta vs tors. theta energy: -164.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1803.291335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.291335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.291335 (E_RNA)
where:
Base-Base interactions energy: -1153.798
where: short stacking energy: -514.340
Base-Backbone interact. energy: -0.948
local terms energy: -648.545558
where:
bonds (distance) C4'-P energy: -133.571
bonds (distance) P-C4' energy: -136.167
flat angles C4'-P-C4' energy: -154.928
flat angles P-C4'-P energy: -89.550
tors. eta vs tors. theta energy: -134.330
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: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1465.496074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.496074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.496074 (E_RNA)
where:
Base-Base interactions energy: -917.023
where: short stacking energy: -410.379
Base-Backbone interact. energy: -0.831
local terms energy: -547.641729
where:
bonds (distance) C4'-P energy: -121.316
bonds (distance) P-C4' energy: -138.170
flat angles C4'-P-C4' energy: -133.175
flat angles P-C4'-P energy: -91.674
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: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -964.638464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.638464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.638464 (E_RNA)
where:
Base-Base interactions energy: -516.511
where: short stacking energy: -277.348
Base-Backbone interact. energy: -4.359
local terms energy: -443.769105
where:
bonds (distance) C4'-P energy: -123.979
bonds (distance) P-C4' energy: -135.377
flat angles C4'-P-C4' energy: -103.692
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -18.767
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: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -798.009962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.009962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.009962 (E_RNA)
where:
Base-Base interactions energy: -407.503
where: short stacking energy: -246.821
Base-Backbone interact. energy: 3.352
local terms energy: -393.858785
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -132.085
flat angles C4'-P-C4' energy: -104.773
flat angles P-C4'-P energy: -63.404
tors. eta vs tors. theta energy: 8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2814.176203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.176203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.176203 (E_RNA)
where:
Base-Base interactions energy: -1966.052
where: short stacking energy: -806.253
Base-Backbone interact. energy: -2.441
local terms energy: -845.683398
where:
bonds (distance) C4'-P energy: -153.209
bonds (distance) P-C4' energy: -164.723
flat angles C4'-P-C4' energy: -186.330
flat angles P-C4'-P energy: -115.514
tors. eta vs tors. theta energy: -225.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2670.974708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.974708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.974708 (E_RNA)
where:
Base-Base interactions energy: -1834.544
where: short stacking energy: -730.918
Base-Backbone interact. energy: 0.043
local terms energy: -836.473764
where:
bonds (distance) C4'-P energy: -146.153
bonds (distance) P-C4' energy: -167.782
flat angles C4'-P-C4' energy: -187.345
flat angles P-C4'-P energy: -127.534
tors. eta vs tors. theta energy: -207.659
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: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2478.298421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.298421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.298421 (E_RNA)
where:
Base-Base interactions energy: -1685.986
where: short stacking energy: -712.735
Base-Backbone interact. energy: -1.418
local terms energy: -790.894300
where:
bonds (distance) C4'-P energy: -152.389
bonds (distance) P-C4' energy: -150.186
flat angles C4'-P-C4' energy: -184.186
flat angles P-C4'-P energy: -106.058
tors. eta vs tors. theta energy: -198.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2350.046408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.046408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.046408 (E_RNA)
where:
Base-Base interactions energy: -1571.493
where: short stacking energy: -670.937
Base-Backbone interact. energy: 0.423
local terms energy: -778.976749
where:
bonds (distance) C4'-P energy: -155.981
bonds (distance) P-C4' energy: -159.882
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -211.844
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: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2273.097018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.097018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.097018 (E_RNA)
where:
Base-Base interactions energy: -1508.159
where: short stacking energy: -659.780
Base-Backbone interact. energy: 5.072
local terms energy: -770.010009
where:
bonds (distance) C4'-P energy: -145.931
bonds (distance) P-C4' energy: -140.033
flat angles C4'-P-C4' energy: -180.786
flat angles P-C4'-P energy: -115.900
tors. eta vs tors. theta energy: -187.361
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: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2161.979284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.979284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.979284 (E_RNA)
where:
Base-Base interactions energy: -1443.402
where: short stacking energy: -617.417
Base-Backbone interact. energy: -1.995
local terms energy: -716.582197
where:
bonds (distance) C4'-P energy: -145.167
bonds (distance) P-C4' energy: -139.926
flat angles C4'-P-C4' energy: -162.070
flat angles P-C4'-P energy: -91.858
tors. eta vs tors. theta energy: -177.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1814.340145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.340145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.340145 (E_RNA)
where:
Base-Base interactions energy: -1171.863
where: short stacking energy: -514.038
Base-Backbone interact. energy: 1.379
local terms energy: -643.856425
where:
bonds (distance) C4'-P energy: -145.950
bonds (distance) P-C4' energy: -144.600
flat angles C4'-P-C4' energy: -144.521
flat angles P-C4'-P energy: -87.965
tors. eta vs tors. theta energy: -120.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1462.680583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.680583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.680583 (E_RNA)
where:
Base-Base interactions energy: -925.261
where: short stacking energy: -428.683
Base-Backbone interact. energy: 1.287
local terms energy: -538.707478
where:
bonds (distance) C4'-P energy: -124.969
bonds (distance) P-C4' energy: -125.012
flat angles C4'-P-C4' energy: -138.009
flat angles P-C4'-P energy: -78.485
tors. eta vs tors. theta energy: -72.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1037.594716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.594716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.594716 (E_RNA)
where:
Base-Base interactions energy: -581.133
where: short stacking energy: -305.338
Base-Backbone interact. energy: -2.874
local terms energy: -453.587988
where:
bonds (distance) C4'-P energy: -114.408
bonds (distance) P-C4' energy: -129.792
flat angles C4'-P-C4' energy: -126.782
flat angles P-C4'-P energy: -58.890
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -730.887846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.887846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.887846 (E_RNA)
where:
Base-Base interactions energy: -364.024
where: short stacking energy: -214.593
Base-Backbone interact. energy: 8.455
local terms energy: -375.318702
where:
bonds (distance) C4'-P energy: -123.711
bonds (distance) P-C4' energy: -117.838
flat angles C4'-P-C4' energy: -103.914
flat angles P-C4'-P energy: -57.447
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: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2791.754825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.754825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.754825 (E_RNA)
where:
Base-Base interactions energy: -1918.647
where: short stacking energy: -774.277
Base-Backbone interact. energy: -2.526
local terms energy: -870.581496
where:
bonds (distance) C4'-P energy: -158.385
bonds (distance) P-C4' energy: -165.466
flat angles C4'-P-C4' energy: -190.218
flat angles P-C4'-P energy: -133.641
tors. eta vs tors. theta energy: -222.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2638.473244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.473244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.473244 (E_RNA)
where:
Base-Base interactions energy: -1797.494
where: short stacking energy: -720.378
Base-Backbone interact. energy: -5.281
local terms energy: -835.698371
where:
bonds (distance) C4'-P energy: -163.079
bonds (distance) P-C4' energy: -157.936
flat angles C4'-P-C4' energy: -186.590
flat angles P-C4'-P energy: -120.418
tors. eta vs tors. theta energy: -207.675
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2517.871362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.871362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.871362 (E_RNA)
where:
Base-Base interactions energy: -1694.197
where: short stacking energy: -749.931
Base-Backbone interact. energy: 1.568
local terms energy: -825.242046
where:
bonds (distance) C4'-P energy: -152.658
bonds (distance) P-C4' energy: -159.323
flat angles C4'-P-C4' energy: -175.429
flat angles P-C4'-P energy: -123.409
tors. eta vs tors. theta energy: -214.423
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: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2347.804067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.804067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.804067 (E_RNA)
where:
Base-Base interactions energy: -1555.693
where: short stacking energy: -689.634
Base-Backbone interact. energy: -1.891
local terms energy: -790.220344
where:
bonds (distance) C4'-P energy: -160.131
bonds (distance) P-C4' energy: -149.103
flat angles C4'-P-C4' energy: -161.572
flat angles P-C4'-P energy: -99.981
tors. eta vs tors. theta energy: -219.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2246.445966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.445966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.445966 (E_RNA)
where:
Base-Base interactions energy: -1472.513
where: short stacking energy: -683.263
Base-Backbone interact. energy: -1.697
local terms energy: -773.804049
where:
bonds (distance) C4'-P energy: -133.435
bonds (distance) P-C4' energy: -153.371
flat angles C4'-P-C4' energy: -166.949
flat angles P-C4'-P energy: -122.302
tors. eta vs tors. theta energy: -197.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.568 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2134.171059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.171059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.171059 (E_RNA)
where:
Base-Base interactions energy: -1425.293
where: short stacking energy: -612.902
Base-Backbone interact. energy: -1.684
local terms energy: -707.193586
where:
bonds (distance) C4'-P energy: -134.215
bonds (distance) P-C4' energy: -134.038
flat angles C4'-P-C4' energy: -149.575
flat angles P-C4'-P energy: -109.645
tors. eta vs tors. theta energy: -179.722
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: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1812.578933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.578933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.578933 (E_RNA)
where:
Base-Base interactions energy: -1169.265
where: short stacking energy: -532.618
Base-Backbone interact. energy: -2.811
local terms energy: -640.502760
where:
bonds (distance) C4'-P energy: -142.721
bonds (distance) P-C4' energy: -138.332
flat angles C4'-P-C4' energy: -141.447
flat angles P-C4'-P energy: -82.087
tors. eta vs tors. theta energy: -135.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1473.351357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.351357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.351357 (E_RNA)
where:
Base-Base interactions energy: -922.271
where: short stacking energy: -437.787
Base-Backbone interact. energy: 1.919
local terms energy: -553.000064
where:
bonds (distance) C4'-P energy: -117.122
bonds (distance) P-C4' energy: -150.143
flat angles C4'-P-C4' energy: -137.720
flat angles P-C4'-P energy: -60.246
tors. eta vs tors. theta energy: -87.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1038.095357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.095357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.095357 (E_RNA)
where:
Base-Base interactions energy: -560.815
where: short stacking energy: -280.980
Base-Backbone interact. energy: 2.916
local terms energy: -480.196113
where:
bonds (distance) C4'-P energy: -122.983
bonds (distance) P-C4' energy: -137.201
flat angles C4'-P-C4' energy: -140.950
flat angles P-C4'-P energy: -66.464
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -741.844191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.844191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.844191 (E_RNA)
where:
Base-Base interactions energy: -331.389
where: short stacking energy: -188.877
Base-Backbone interact. energy: 0.261
local terms energy: -410.715661
where:
bonds (distance) C4'-P energy: -125.961
bonds (distance) P-C4' energy: -143.073
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: 17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2790.758512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.758512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.758512 (E_RNA)
where:
Base-Base interactions energy: -1928.972
where: short stacking energy: -804.887
Base-Backbone interact. energy: -2.812
local terms energy: -858.974335
where:
bonds (distance) C4'-P energy: -156.810
bonds (distance) P-C4' energy: -155.841
flat angles C4'-P-C4' energy: -185.868
flat angles P-C4'-P energy: -123.093
tors. eta vs tors. theta energy: -237.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2611.308594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.308594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.308594 (E_RNA)
where:
Base-Base interactions energy: -1800.374
where: short stacking energy: -751.714
Base-Backbone interact. energy: -7.349
local terms energy: -803.585274
where:
bonds (distance) C4'-P energy: -151.715
bonds (distance) P-C4' energy: -143.377
flat angles C4'-P-C4' energy: -191.082
flat angles P-C4'-P energy: -117.257
tors. eta vs tors. theta energy: -200.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2465.530232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.530232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.530232 (E_RNA)
where:
Base-Base interactions energy: -1645.893
where: short stacking energy: -677.542
Base-Backbone interact. energy: -1.010
local terms energy: -818.627483
where:
bonds (distance) C4'-P energy: -154.220
bonds (distance) P-C4' energy: -161.065
flat angles C4'-P-C4' energy: -178.291
flat angles P-C4'-P energy: -119.219
tors. eta vs tors. theta energy: -205.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2381.739351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.739351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.739351 (E_RNA)
where:
Base-Base interactions energy: -1563.966
where: short stacking energy: -706.918
Base-Backbone interact. energy: 0.271
local terms energy: -818.043704
where:
bonds (distance) C4'-P energy: -142.426
bonds (distance) P-C4' energy: -163.111
flat angles C4'-P-C4' energy: -180.401
flat angles P-C4'-P energy: -113.679
tors. eta vs tors. theta energy: -218.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2227.867918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.867918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.867918 (E_RNA)
where:
Base-Base interactions energy: -1507.357
where: short stacking energy: -642.579
Base-Backbone interact. energy: -2.898
local terms energy: -717.613188
where:
bonds (distance) C4'-P energy: -139.525
bonds (distance) P-C4' energy: -143.764
flat angles C4'-P-C4' energy: -151.396
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -191.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2179.350382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.350382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.350382 (E_RNA)
where:
Base-Base interactions energy: -1492.186
where: short stacking energy: -608.647
Base-Backbone interact. energy: -4.189
local terms energy: -682.975360
where:
bonds (distance) C4'-P energy: -122.638
bonds (distance) P-C4' energy: -132.309
flat angles C4'-P-C4' energy: -155.545
flat angles P-C4'-P energy: -107.496
tors. eta vs tors. theta energy: -164.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1828.632022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.632022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.632022 (E_RNA)
where:
Base-Base interactions energy: -1184.685
where: short stacking energy: -535.839
Base-Backbone interact. energy: 2.463
local terms energy: -646.410336
where:
bonds (distance) C4'-P energy: -133.056
bonds (distance) P-C4' energy: -144.720
flat angles C4'-P-C4' energy: -142.012
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -138.856
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1544.856634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.856634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.856634 (E_RNA)
where:
Base-Base interactions energy: -983.528
where: short stacking energy: -427.363
Base-Backbone interact. energy: 3.105
local terms energy: -564.433886
where:
bonds (distance) C4'-P energy: -141.577
bonds (distance) P-C4' energy: -134.712
flat angles C4'-P-C4' energy: -144.164
flat angles P-C4'-P energy: -73.434
tors. eta vs tors. theta energy: -70.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1079.745110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.745110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.745110 (E_RNA)
where:
Base-Base interactions energy: -574.786
where: short stacking energy: -297.677
Base-Backbone interact. energy: 1.533
local terms energy: -506.492625
where:
bonds (distance) C4'-P energy: -124.646
bonds (distance) P-C4' energy: -147.693
flat angles C4'-P-C4' energy: -135.072
flat angles P-C4'-P energy: -72.662
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -746.211876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.211876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.211876 (E_RNA)
where:
Base-Base interactions energy: -340.971
where: short stacking energy: -189.330
Base-Backbone interact. energy: 3.044
local terms energy: -408.285371
where:
bonds (distance) C4'-P energy: -119.703
bonds (distance) P-C4' energy: -133.478
flat angles C4'-P-C4' energy: -118.202
flat angles P-C4'-P energy: -68.249
tors. eta vs tors. theta energy: 31.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2800.182373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.182373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.182373 (E_RNA)
where:
Base-Base interactions energy: -1926.510
where: short stacking energy: -806.458
Base-Backbone interact. energy: -2.886
local terms energy: -870.785865
where:
bonds (distance) C4'-P energy: -170.051
bonds (distance) P-C4' energy: -168.809
flat angles C4'-P-C4' energy: -180.124
flat angles P-C4'-P energy: -115.964
tors. eta vs tors. theta energy: -235.839
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2664.245429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.245429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.245429 (E_RNA)
where:
Base-Base interactions energy: -1847.751
where: short stacking energy: -756.971
Base-Backbone interact. energy: -2.627
local terms energy: -813.867627
where:
bonds (distance) C4'-P energy: -162.795
bonds (distance) P-C4' energy: -157.551
flat angles C4'-P-C4' energy: -172.601
flat angles P-C4'-P energy: -106.762
tors. eta vs tors. theta energy: -214.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2473.440103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.440103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.440103 (E_RNA)
where:
Base-Base interactions energy: -1656.198
where: short stacking energy: -704.939
Base-Backbone interact. energy: -3.662
local terms energy: -813.579230
where:
bonds (distance) C4'-P energy: -157.591
bonds (distance) P-C4' energy: -145.254
flat angles C4'-P-C4' energy: -184.140
flat angles P-C4'-P energy: -117.101
tors. eta vs tors. theta energy: -209.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2373.838119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.838119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.838119 (E_RNA)
where:
Base-Base interactions energy: -1605.840
where: short stacking energy: -730.682
Base-Backbone interact. energy: -0.280
local terms energy: -767.718052
where:
bonds (distance) C4'-P energy: -146.606
bonds (distance) P-C4' energy: -143.549
flat angles C4'-P-C4' energy: -149.391
flat angles P-C4'-P energy: -104.562
tors. eta vs tors. theta energy: -223.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2212.369907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.369907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.369907 (E_RNA)
where:
Base-Base interactions energy: -1464.783
where: short stacking energy: -633.738
Base-Backbone interact. energy: 0.148
local terms energy: -747.735112
where:
bonds (distance) C4'-P energy: -158.248
bonds (distance) P-C4' energy: -135.525
flat angles C4'-P-C4' energy: -169.069
flat angles P-C4'-P energy: -108.014
tors. eta vs tors. theta energy: -176.879
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: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2150.859315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.859315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.859315 (E_RNA)
where:
Base-Base interactions energy: -1469.078
where: short stacking energy: -612.506
Base-Backbone interact. energy: -0.358
local terms energy: -681.423631
where:
bonds (distance) C4'-P energy: -133.425
bonds (distance) P-C4' energy: -144.461
flat angles C4'-P-C4' energy: -157.058
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -168.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1899.058241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.058241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.058241 (E_RNA)
where:
Base-Base interactions energy: -1257.916
where: short stacking energy: -575.789
Base-Backbone interact. energy: 6.438
local terms energy: -647.579928
where:
bonds (distance) C4'-P energy: -121.955
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -140.579
flat angles P-C4'-P energy: -87.235
tors. eta vs tors. theta energy: -147.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1570.826550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.826550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.826550 (E_RNA)
where:
Base-Base interactions energy: -991.247
where: short stacking energy: -458.365
Base-Backbone interact. energy: -1.219
local terms energy: -578.360525
where:
bonds (distance) C4'-P energy: -143.653
bonds (distance) P-C4' energy: -135.059
flat angles C4'-P-C4' energy: -130.462
flat angles P-C4'-P energy: -71.369
tors. eta vs tors. theta energy: -97.817
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: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1101.131115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.131115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.131115 (E_RNA)
where:
Base-Base interactions energy: -607.375
where: short stacking energy: -292.877
Base-Backbone interact. energy: -2.152
local terms energy: -491.603849
where:
bonds (distance) C4'-P energy: -145.795
bonds (distance) P-C4' energy: -127.959
flat angles C4'-P-C4' energy: -109.799
flat angles P-C4'-P energy: -79.172
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -735.973081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.973081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.973081 (E_RNA)
where:
Base-Base interactions energy: -315.692
where: short stacking energy: -195.007
Base-Backbone interact. energy: 3.172
local terms energy: -423.652269
where:
bonds (distance) C4'-P energy: -110.828
bonds (distance) P-C4' energy: -142.016
flat angles C4'-P-C4' energy: -118.463
flat angles P-C4'-P energy: -67.984
tors. eta vs tors. theta energy: 15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.200 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2824.738064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.738064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.738064 (E_RNA)
where:
Base-Base interactions energy: -1974.853
where: short stacking energy: -804.353
Base-Backbone interact. energy: 0.244
local terms energy: -850.128346
where:
bonds (distance) C4'-P energy: -152.333
bonds (distance) P-C4' energy: -159.054
flat angles C4'-P-C4' energy: -187.241
flat angles P-C4'-P energy: -121.147
tors. eta vs tors. theta energy: -230.353
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: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2657.474074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.474074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.474074 (E_RNA)
where:
Base-Base interactions energy: -1852.150
where: short stacking energy: -744.390
Base-Backbone interact. energy: -5.671
local terms energy: -799.652675
where:
bonds (distance) C4'-P energy: -152.719
bonds (distance) P-C4' energy: -168.752
flat angles C4'-P-C4' energy: -170.610
flat angles P-C4'-P energy: -101.583
tors. eta vs tors. theta energy: -205.989
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2481.401034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.401034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.401034 (E_RNA)
where:
Base-Base interactions energy: -1678.131
where: short stacking energy: -722.533
Base-Backbone interact. energy: -7.116
local terms energy: -796.153893
where:
bonds (distance) C4'-P energy: -150.973
bonds (distance) P-C4' energy: -165.015
flat angles C4'-P-C4' energy: -168.951
flat angles P-C4'-P energy: -110.544
tors. eta vs tors. theta energy: -200.672
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: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2313.752436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.752436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.752436 (E_RNA)
where:
Base-Base interactions energy: -1531.113
where: short stacking energy: -654.674
Base-Backbone interact. energy: -1.460
local terms energy: -781.179434
where:
bonds (distance) C4'-P energy: -142.062
bonds (distance) P-C4' energy: -162.606
flat angles C4'-P-C4' energy: -174.226
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -208.110
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: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2263.881921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.881921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.881921 (E_RNA)
where:
Base-Base interactions energy: -1517.178
where: short stacking energy: -639.192
Base-Backbone interact. energy: -4.879
local terms energy: -741.824626
where:
bonds (distance) C4'-P energy: -132.284
bonds (distance) P-C4' energy: -140.549
flat angles C4'-P-C4' energy: -176.530
flat angles P-C4'-P energy: -114.704
tors. eta vs tors. theta energy: -177.758
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: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2168.397471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.397471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.397471 (E_RNA)
where:
Base-Base interactions energy: -1446.930
where: short stacking energy: -616.989
Base-Backbone interact. energy: -2.482
local terms energy: -718.985686
where:
bonds (distance) C4'-P energy: -136.625
bonds (distance) P-C4' energy: -152.037
flat angles C4'-P-C4' energy: -151.943
flat angles P-C4'-P energy: -110.555
tors. eta vs tors. theta energy: -167.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1878.804209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.804209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.804209 (E_RNA)
where:
Base-Base interactions energy: -1243.226
where: short stacking energy: -546.804
Base-Backbone interact. energy: 4.058
local terms energy: -639.636188
where:
bonds (distance) C4'-P energy: -134.820
bonds (distance) P-C4' energy: -132.220
flat angles C4'-P-C4' energy: -134.168
flat angles P-C4'-P energy: -99.380
tors. eta vs tors. theta energy: -139.048
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1479.566762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.566762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.566762 (E_RNA)
where:
Base-Base interactions energy: -885.296
where: short stacking energy: -436.945
Base-Backbone interact. energy: 3.667
local terms energy: -597.937168
where:
bonds (distance) C4'-P energy: -142.686
bonds (distance) P-C4' energy: -147.864
flat angles C4'-P-C4' energy: -145.810
flat angles P-C4'-P energy: -82.611
tors. eta vs tors. theta energy: -78.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1044.333013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.333013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.333013 (E_RNA)
where:
Base-Base interactions energy: -560.505
where: short stacking energy: -297.008
Base-Backbone interact. energy: 0.437
local terms energy: -484.264681
where:
bonds (distance) C4'-P energy: -133.634
bonds (distance) P-C4' energy: -136.938
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -71.469
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -712.600449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.600449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.600449 (E_RNA)
where:
Base-Base interactions energy: -270.939
where: short stacking energy: -167.492
Base-Backbone interact. energy: -2.997
local terms energy: -438.664781
where:
bonds (distance) C4'-P energy: -140.001
bonds (distance) P-C4' energy: -139.902
flat angles C4'-P-C4' energy: -136.154
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: 31.600
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: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2848.847770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.847770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.847770 (E_RNA)
where:
Base-Base interactions energy: -1987.333
where: short stacking energy: -832.630
Base-Backbone interact. energy: -3.398
local terms energy: -858.116630
where:
bonds (distance) C4'-P energy: -140.678
bonds (distance) P-C4' energy: -171.419
flat angles C4'-P-C4' energy: -178.452
flat angles P-C4'-P energy: -131.787
tors. eta vs tors. theta energy: -235.780
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: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2686.093063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.093063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.093063 (E_RNA)
where:
Base-Base interactions energy: -1870.694
where: short stacking energy: -791.730
Base-Backbone interact. energy: -3.454
local terms energy: -811.945611
where:
bonds (distance) C4'-P energy: -144.428
bonds (distance) P-C4' energy: -146.613
flat angles C4'-P-C4' energy: -179.357
flat angles P-C4'-P energy: -109.028
tors. eta vs tors. theta energy: -232.519
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2460.440722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.440722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.440722 (E_RNA)
where:
Base-Base interactions energy: -1671.635
where: short stacking energy: -726.267
Base-Backbone interact. energy: -7.188
local terms energy: -781.617526
where:
bonds (distance) C4'-P energy: -143.846
bonds (distance) P-C4' energy: -149.511
flat angles C4'-P-C4' energy: -166.844
flat angles P-C4'-P energy: -113.940
tors. eta vs tors. theta energy: -207.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2317.432505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.432505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.432505 (E_RNA)
where:
Base-Base interactions energy: -1566.515
where: short stacking energy: -687.921
Base-Backbone interact. energy: -1.229
local terms energy: -749.689023
where:
bonds (distance) C4'-P energy: -139.848
bonds (distance) P-C4' energy: -151.511
flat angles C4'-P-C4' energy: -159.073
flat angles P-C4'-P energy: -95.902
tors. eta vs tors. theta energy: -203.354
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: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2219.943170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.943170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.943170 (E_RNA)
where:
Base-Base interactions energy: -1469.884
where: short stacking energy: -625.587
Base-Backbone interact. energy: -1.597
local terms energy: -748.461567
where:
bonds (distance) C4'-P energy: -139.811
bonds (distance) P-C4' energy: -159.302
flat angles C4'-P-C4' energy: -164.967
flat angles P-C4'-P energy: -112.996
tors. eta vs tors. theta energy: -171.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2200.656260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.656260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.656260 (E_RNA)
where:
Base-Base interactions energy: -1475.905
where: short stacking energy: -655.378
Base-Backbone interact. energy: -1.837
local terms energy: -722.915093
where:
bonds (distance) C4'-P energy: -132.567
bonds (distance) P-C4' energy: -154.328
flat angles C4'-P-C4' energy: -159.783
flat angles P-C4'-P energy: -76.305
tors. eta vs tors. theta energy: -199.932
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: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1898.009024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.009024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.009024 (E_RNA)
where:
Base-Base interactions energy: -1211.348
where: short stacking energy: -521.149
Base-Backbone interact. energy: -7.113
local terms energy: -679.548111
where:
bonds (distance) C4'-P energy: -162.498
bonds (distance) P-C4' energy: -130.963
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -103.091
tors. eta vs tors. theta energy: -142.540
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1438.223464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.223464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.223464 (E_RNA)
where:
Base-Base interactions energy: -881.082
where: short stacking energy: -385.482
Base-Backbone interact. energy: -0.224
local terms energy: -556.917175
where:
bonds (distance) C4'-P energy: -132.111
bonds (distance) P-C4' energy: -128.387
flat angles C4'-P-C4' energy: -130.361
flat angles P-C4'-P energy: -94.963
tors. eta vs tors. theta energy: -71.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1097.155460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.155460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.155460 (E_RNA)
where:
Base-Base interactions energy: -608.286
where: short stacking energy: -312.341
Base-Backbone interact. energy: 0.230
local terms energy: -489.099068
where:
bonds (distance) C4'-P energy: -140.226
bonds (distance) P-C4' energy: -134.521
flat angles C4'-P-C4' energy: -122.303
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -737.336095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.336095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.336095 (E_RNA)
where:
Base-Base interactions energy: -329.843
where: short stacking energy: -177.334
Base-Backbone interact. energy: -4.011
local terms energy: -403.482816
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -139.632
flat angles C4'-P-C4' energy: -121.741
flat angles P-C4'-P energy: -41.366
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: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2834.109249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.109249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.109249 (E_RNA)
where:
Base-Base interactions energy: -1980.727
where: short stacking energy: -808.996
Base-Backbone interact. energy: -1.278
local terms energy: -852.104292
where:
bonds (distance) C4'-P energy: -161.724
bonds (distance) P-C4' energy: -163.148
flat angles C4'-P-C4' energy: -188.898
flat angles P-C4'-P energy: -115.064
tors. eta vs tors. theta energy: -223.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2705.179632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.179632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.179632 (E_RNA)
where:
Base-Base interactions energy: -1871.304
where: short stacking energy: -770.486
Base-Backbone interact. energy: -3.546
local terms energy: -830.329207
where:
bonds (distance) C4'-P energy: -139.141
bonds (distance) P-C4' energy: -172.492
flat angles C4'-P-C4' energy: -185.249
flat angles P-C4'-P energy: -120.832
tors. eta vs tors. theta energy: -212.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2453.948353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.948353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.948353 (E_RNA)
where:
Base-Base interactions energy: -1671.575
where: short stacking energy: -723.849
Base-Backbone interact. energy: 0.314
local terms energy: -782.687300
where:
bonds (distance) C4'-P energy: -156.405
bonds (distance) P-C4' energy: -145.443
flat angles C4'-P-C4' energy: -161.549
flat angles P-C4'-P energy: -110.548
tors. eta vs tors. theta energy: -208.743
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: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2377.883232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.883232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.883232 (E_RNA)
where:
Base-Base interactions energy: -1588.775
where: short stacking energy: -694.095
Base-Backbone interact. energy: -1.227
local terms energy: -787.881055
where:
bonds (distance) C4'-P energy: -168.936
bonds (distance) P-C4' energy: -138.425
flat angles C4'-P-C4' energy: -168.323
flat angles P-C4'-P energy: -113.147
tors. eta vs tors. theta energy: -199.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2242.821340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.821340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.821340 (E_RNA)
where:
Base-Base interactions energy: -1509.076
where: short stacking energy: -633.632
Base-Backbone interact. energy: -1.160
local terms energy: -732.585464
where:
bonds (distance) C4'-P energy: -134.824
bonds (distance) P-C4' energy: -146.770
flat angles C4'-P-C4' energy: -168.075
flat angles P-C4'-P energy: -99.455
tors. eta vs tors. theta energy: -183.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2112.898335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.898335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.898335 (E_RNA)
where:
Base-Base interactions energy: -1415.244
where: short stacking energy: -605.619
Base-Backbone interact. energy: -4.246
local terms energy: -693.408213
where:
bonds (distance) C4'-P energy: -149.830
bonds (distance) P-C4' energy: -126.898
flat angles C4'-P-C4' energy: -154.354
flat angles P-C4'-P energy: -89.798
tors. eta vs tors. theta energy: -172.528
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: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1921.660161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.660161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.660161 (E_RNA)
where:
Base-Base interactions energy: -1261.617
where: short stacking energy: -559.175
Base-Backbone interact. energy: 1.255
local terms energy: -661.298694
where:
bonds (distance) C4'-P energy: -125.434
bonds (distance) P-C4' energy: -125.539
flat angles C4'-P-C4' energy: -163.913
flat angles P-C4'-P energy: -98.860
tors. eta vs tors. theta energy: -147.553
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1463.993395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.993395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.993395 (E_RNA)
where:
Base-Base interactions energy: -931.435
where: short stacking energy: -410.977
Base-Backbone interact. energy: 0.838
local terms energy: -533.395927
where:
bonds (distance) C4'-P energy: -131.596
bonds (distance) P-C4' energy: -140.198
flat angles C4'-P-C4' energy: -118.673
flat angles P-C4'-P energy: -71.880
tors. eta vs tors. theta energy: -71.050
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1099.116200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.116200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.116200 (E_RNA)
where:
Base-Base interactions energy: -595.037
where: short stacking energy: -296.323
Base-Backbone interact. energy: 2.666
local terms energy: -506.745666
where:
bonds (distance) C4'-P energy: -131.047
bonds (distance) P-C4' energy: -146.077
flat angles C4'-P-C4' energy: -127.772
flat angles P-C4'-P energy: -71.129
tors. eta vs tors. theta energy: -30.721
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: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -755.079720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.079720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.079720 (E_RNA)
where:
Base-Base interactions energy: -288.621
where: short stacking energy: -174.149
Base-Backbone interact. energy: -1.137
local terms energy: -465.321782
where:
bonds (distance) C4'-P energy: -133.123
bonds (distance) P-C4' energy: -123.282
flat angles C4'-P-C4' energy: -141.398
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: 11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2805.111144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.111144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.111144 (E_RNA)
where:
Base-Base interactions energy: -1953.906
where: short stacking energy: -813.193
Base-Backbone interact. energy: -3.805
local terms energy: -847.400732
where:
bonds (distance) C4'-P energy: -153.104
bonds (distance) P-C4' energy: -155.030
flat angles C4'-P-C4' energy: -186.166
flat angles P-C4'-P energy: -124.500
tors. eta vs tors. theta energy: -228.601
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: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2645.646884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.646884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.646884 (E_RNA)
where:
Base-Base interactions energy: -1841.341
where: short stacking energy: -780.004
Base-Backbone interact. energy: -4.522
local terms energy: -799.784500
where:
bonds (distance) C4'-P energy: -143.594
bonds (distance) P-C4' energy: -161.608
flat angles C4'-P-C4' energy: -160.314
flat angles P-C4'-P energy: -111.235
tors. eta vs tors. theta energy: -223.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2435.807734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.807734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.807734 (E_RNA)
where:
Base-Base interactions energy: -1650.993
where: short stacking energy: -719.890
Base-Backbone interact. energy: -5.247
local terms energy: -779.567000
where:
bonds (distance) C4'-P energy: -147.357
bonds (distance) P-C4' energy: -132.344
flat angles C4'-P-C4' energy: -175.174
flat angles P-C4'-P energy: -107.672
tors. eta vs tors. theta energy: -217.020
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: 415
Temperature: 1.050000
Total energy: -2409.443457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.443457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.443457 (E_RNA)
where:
Base-Base interactions energy: -1611.001
where: short stacking energy: -708.709
Base-Backbone interact. energy: 2.111
local terms energy: -800.554030
where:
bonds (distance) C4'-P energy: -154.645
bonds (distance) P-C4' energy: -150.529
flat angles C4'-P-C4' energy: -177.112
flat angles P-C4'-P energy: -106.732
tors. eta vs tors. theta energy: -211.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2257.436238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.436238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.436238 (E_RNA)
where:
Base-Base interactions energy: -1527.351
where: short stacking energy: -648.223
Base-Backbone interact. energy: -1.250
local terms energy: -728.834601
where:
bonds (distance) C4'-P energy: -158.626
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -173.434
flat angles P-C4'-P energy: -103.979
tors. eta vs tors. theta energy: -183.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2091.383942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.383942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.383942 (E_RNA)
where:
Base-Base interactions energy: -1404.894
where: short stacking energy: -609.500
Base-Backbone interact. energy: -0.880
local terms energy: -685.610081
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -135.407
flat angles C4'-P-C4' energy: -152.299
flat angles P-C4'-P energy: -103.348
tors. eta vs tors. theta energy: -162.204
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: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1900.491260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.491260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.491260 (E_RNA)
where:
Base-Base interactions energy: -1198.262
where: short stacking energy: -543.286
Base-Backbone interact. energy: -0.008
local terms energy: -702.220799
where:
bonds (distance) C4'-P energy: -137.571
bonds (distance) P-C4' energy: -143.994
flat angles C4'-P-C4' energy: -160.358
flat angles P-C4'-P energy: -97.976
tors. eta vs tors. theta energy: -162.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1425.226472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.226472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.226472 (E_RNA)
where:
Base-Base interactions energy: -872.439
where: short stacking energy: -425.272
Base-Backbone interact. energy: 0.431
local terms energy: -553.218130
where:
bonds (distance) C4'-P energy: -122.196
bonds (distance) P-C4' energy: -153.506
flat angles C4'-P-C4' energy: -111.944
flat angles P-C4'-P energy: -84.803
tors. eta vs tors. theta energy: -80.769
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1066.921309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.921309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.921309 (E_RNA)
where:
Base-Base interactions energy: -589.637
where: short stacking energy: -297.758
Base-Backbone interact. energy: -0.387
local terms energy: -476.897348
where:
bonds (distance) C4'-P energy: -141.469
bonds (distance) P-C4' energy: -122.891
flat angles C4'-P-C4' energy: -123.044
flat angles P-C4'-P energy: -78.565
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -734.573256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.573256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.573256 (E_RNA)
where:
Base-Base interactions energy: -296.874
where: short stacking energy: -194.158
Base-Backbone interact. energy: 6.509
local terms energy: -444.207928
where:
bonds (distance) C4'-P energy: -120.018
bonds (distance) P-C4' energy: -137.249
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -85.646
tors. eta vs tors. theta energy: 19.643
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: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2835.505414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.505414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.505414 (E_RNA)
where:
Base-Base interactions energy: -1988.159
where: short stacking energy: -809.111
Base-Backbone interact. energy: -0.904
local terms energy: -846.441590
where:
bonds (distance) C4'-P energy: -145.012
bonds (distance) P-C4' energy: -173.236
flat angles C4'-P-C4' energy: -183.484
flat angles P-C4'-P energy: -111.441
tors. eta vs tors. theta energy: -233.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2636.119648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.119648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.119648 (E_RNA)
where:
Base-Base interactions energy: -1836.019
where: short stacking energy: -726.085
Base-Backbone interact. energy: -5.010
local terms energy: -795.091418
where:
bonds (distance) C4'-P energy: -167.320
bonds (distance) P-C4' energy: -150.151
flat angles C4'-P-C4' energy: -164.551
flat angles P-C4'-P energy: -115.445
tors. eta vs tors. theta energy: -197.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2468.065479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.065479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.065479 (E_RNA)
where:
Base-Base interactions energy: -1661.360
where: short stacking energy: -716.997
Base-Backbone interact. energy: -5.480
local terms energy: -801.226302
where:
bonds (distance) C4'-P energy: -144.633
bonds (distance) P-C4' energy: -142.278
flat angles C4'-P-C4' energy: -188.920
flat angles P-C4'-P energy: -112.721
tors. eta vs tors. theta energy: -212.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2455.908466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.908466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.908466 (E_RNA)
where:
Base-Base interactions energy: -1630.666
where: short stacking energy: -731.754
Base-Backbone interact. energy: -2.244
local terms energy: -822.999177
where:
bonds (distance) C4'-P energy: -149.979
bonds (distance) P-C4' energy: -156.919
flat angles C4'-P-C4' energy: -174.231
flat angles P-C4'-P energy: -124.403
tors. eta vs tors. theta energy: -217.468
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: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2201.775694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.775694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.775694 (E_RNA)
where:
Base-Base interactions energy: -1476.683
where: short stacking energy: -643.830
Base-Backbone interact. energy: -1.063
local terms energy: -724.029174
where:
bonds (distance) C4'-P energy: -135.965
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -169.228
flat angles P-C4'-P energy: -99.981
tors. eta vs tors. theta energy: -184.283
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: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2083.942202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.942202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.942202 (E_RNA)
where:
Base-Base interactions energy: -1405.523
where: short stacking energy: -568.037
Base-Backbone interact. energy: 4.788
local terms energy: -683.207358
where:
bonds (distance) C4'-P energy: -116.435
bonds (distance) P-C4' energy: -145.173
flat angles C4'-P-C4' energy: -162.892
flat angles P-C4'-P energy: -100.621
tors. eta vs tors. theta energy: -158.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1914.906932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.906932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.906932 (E_RNA)
where:
Base-Base interactions energy: -1248.968
where: short stacking energy: -548.622
Base-Backbone interact. energy: -3.568
local terms energy: -662.370871
where:
bonds (distance) C4'-P energy: -119.980
bonds (distance) P-C4' energy: -137.253
flat angles C4'-P-C4' energy: -168.041
flat angles P-C4'-P energy: -98.043
tors. eta vs tors. theta energy: -139.055
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1478.004251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.004251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.004251 (E_RNA)
where:
Base-Base interactions energy: -896.413
where: short stacking energy: -414.145
Base-Backbone interact. energy: 1.757
local terms energy: -583.348358
where:
bonds (distance) C4'-P energy: -141.925
bonds (distance) P-C4' energy: -135.353
flat angles C4'-P-C4' energy: -136.988
flat angles P-C4'-P energy: -82.316
tors. eta vs tors. theta energy: -86.767
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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1125.781457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.781457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.781457 (E_RNA)
where:
Base-Base interactions energy: -610.725
where: short stacking energy: -307.843
Base-Backbone interact. energy: 4.280
local terms energy: -519.336036
where:
bonds (distance) C4'-P energy: -143.912
bonds (distance) P-C4' energy: -123.762
flat angles C4'-P-C4' energy: -128.112
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -32.205
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: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -808.795941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.795941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.795941 (E_RNA)
where:
Base-Base interactions energy: -382.374
where: short stacking energy: -212.125
Base-Backbone interact. energy: -0.474
local terms energy: -425.948069
where:
bonds (distance) C4'-P energy: -129.825
bonds (distance) P-C4' energy: -123.641
flat angles C4'-P-C4' energy: -117.351
flat angles P-C4'-P energy: -69.100
tors. eta vs tors. theta energy: 13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2826.840626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.840626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.840626 (E_RNA)
where:
Base-Base interactions energy: -1954.775
where: short stacking energy: -784.900
Base-Backbone interact. energy: -0.923
local terms energy: -871.142212
where:
bonds (distance) C4'-P energy: -153.366
bonds (distance) P-C4' energy: -173.744
flat angles C4'-P-C4' energy: -191.897
flat angles P-C4'-P energy: -112.008
tors. eta vs tors. theta energy: -240.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2669.090003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.090003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.090003 (E_RNA)
where:
Base-Base interactions energy: -1873.349
where: short stacking energy: -764.205
Base-Backbone interact. energy: -7.851
local terms energy: -787.890035
where:
bonds (distance) C4'-P energy: -156.772
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -165.404
flat angles P-C4'-P energy: -127.486
tors. eta vs tors. theta energy: -207.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2491.556218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.556218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.556218 (E_RNA)
where:
Base-Base interactions energy: -1673.547
where: short stacking energy: -735.288
Base-Backbone interact. energy: -4.609
local terms energy: -813.400308
where:
bonds (distance) C4'-P energy: -139.297
bonds (distance) P-C4' energy: -157.506
flat angles C4'-P-C4' energy: -178.641
flat angles P-C4'-P energy: -136.629
tors. eta vs tors. theta energy: -201.327
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: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2393.731194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.731194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.731194 (E_RNA)
where:
Base-Base interactions energy: -1605.574
where: short stacking energy: -711.566
Base-Backbone interact. energy: -3.931
local terms energy: -784.226129
where:
bonds (distance) C4'-P energy: -153.004
bonds (distance) P-C4' energy: -142.411
flat angles C4'-P-C4' energy: -169.710
flat angles P-C4'-P energy: -108.010
tors. eta vs tors. theta energy: -211.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2186.008257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.008257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.008257 (E_RNA)
where:
Base-Base interactions energy: -1453.866
where: short stacking energy: -639.281
Base-Backbone interact. energy: -3.707
local terms energy: -728.435054
where:
bonds (distance) C4'-P energy: -135.179
bonds (distance) P-C4' energy: -152.408
flat angles C4'-P-C4' energy: -161.319
flat angles P-C4'-P energy: -99.977
tors. eta vs tors. theta energy: -179.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2111.134398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.134398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.134398 (E_RNA)
where:
Base-Base interactions energy: -1437.616
where: short stacking energy: -601.693
Base-Backbone interact. energy: -3.719
local terms energy: -669.798742
where:
bonds (distance) C4'-P energy: -126.910
bonds (distance) P-C4' energy: -140.840
flat angles C4'-P-C4' energy: -145.681
flat angles P-C4'-P energy: -82.883
tors. eta vs tors. theta energy: -173.484
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1911.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.341514 (E_RNA)
where:
Base-Base interactions energy: -1254.576
where: short stacking energy: -522.703
Base-Backbone interact. energy: -0.899
local terms energy: -655.867012
where:
bonds (distance) C4'-P energy: -149.519
bonds (distance) P-C4' energy: -132.769
flat angles C4'-P-C4' energy: -143.520
flat angles P-C4'-P energy: -100.906
tors. eta vs tors. theta energy: -129.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1507.683695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.683695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.683695 (E_RNA)
where:
Base-Base interactions energy: -927.672
where: short stacking energy: -425.737
Base-Backbone interact. energy: -0.278
local terms energy: -579.733967
where:
bonds (distance) C4'-P energy: -134.758
bonds (distance) P-C4' energy: -146.681
flat angles C4'-P-C4' energy: -138.740
flat angles P-C4'-P energy: -84.579
tors. eta vs tors. theta energy: -74.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1044.478395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.478395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.478395 (E_RNA)
where:
Base-Base interactions energy: -582.280
where: short stacking energy: -303.588
Base-Backbone interact. energy: -1.019
local terms energy: -461.178946
where:
bonds (distance) C4'-P energy: -125.020
bonds (distance) P-C4' energy: -139.579
flat angles C4'-P-C4' energy: -125.077
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -812.922882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.922882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.922882 (E_RNA)
where:
Base-Base interactions energy: -390.325
where: short stacking energy: -236.399
Base-Backbone interact. energy: 1.661
local terms energy: -424.258846
where:
bonds (distance) C4'-P energy: -123.433
bonds (distance) P-C4' energy: -115.794
flat angles C4'-P-C4' energy: -107.927
flat angles P-C4'-P energy: -71.684
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2837.392872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.392872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.392872 (E_RNA)
where:
Base-Base interactions energy: -1981.334
where: short stacking energy: -777.607
Base-Backbone interact. energy: -4.273
local terms energy: -851.785894
where:
bonds (distance) C4'-P energy: -169.517
bonds (distance) P-C4' energy: -160.158
flat angles C4'-P-C4' energy: -166.432
flat angles P-C4'-P energy: -130.174
tors. eta vs tors. theta energy: -225.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2640.194648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.194648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.194648 (E_RNA)
where:
Base-Base interactions energy: -1843.812
where: short stacking energy: -772.227
Base-Backbone interact. energy: -0.915
local terms energy: -795.467314
where:
bonds (distance) C4'-P energy: -156.037
bonds (distance) P-C4' energy: -159.779
flat angles C4'-P-C4' energy: -181.027
flat angles P-C4'-P energy: -86.059
tors. eta vs tors. theta energy: -212.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2464.572977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.572977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.572977 (E_RNA)
where:
Base-Base interactions energy: -1645.321
where: short stacking energy: -711.808
Base-Backbone interact. energy: 2.025
local terms energy: -821.277410
where:
bonds (distance) C4'-P energy: -154.231
bonds (distance) P-C4' energy: -162.965
flat angles C4'-P-C4' energy: -179.272
flat angles P-C4'-P energy: -112.517
tors. eta vs tors. theta energy: -212.293
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: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2333.379766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.379766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.379766 (E_RNA)
where:
Base-Base interactions energy: -1567.564
where: short stacking energy: -700.716
Base-Backbone interact. energy: -0.777
local terms energy: -765.038591
where:
bonds (distance) C4'-P energy: -145.362
bonds (distance) P-C4' energy: -147.609
flat angles C4'-P-C4' energy: -170.033
flat angles P-C4'-P energy: -108.212
tors. eta vs tors. theta energy: -193.823
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2229.275089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.275089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.275089 (E_RNA)
where:
Base-Base interactions energy: -1504.154
where: short stacking energy: -669.116
Base-Backbone interact. energy: -0.786
local terms energy: -724.335368
where:
bonds (distance) C4'-P energy: -136.345
bonds (distance) P-C4' energy: -153.401
flat angles C4'-P-C4' energy: -145.940
flat angles P-C4'-P energy: -111.515
tors. eta vs tors. theta energy: -177.135
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2083.731630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.731630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.731630 (E_RNA)
where:
Base-Base interactions energy: -1397.774
where: short stacking energy: -580.051
Base-Backbone interact. energy: -1.669
local terms energy: -684.288942
where:
bonds (distance) C4'-P energy: -140.296
bonds (distance) P-C4' energy: -147.654
flat angles C4'-P-C4' energy: -143.619
flat angles P-C4'-P energy: -97.975
tors. eta vs tors. theta energy: -154.745
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: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1836.882437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.882437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.882437 (E_RNA)
where:
Base-Base interactions energy: -1220.520
where: short stacking energy: -537.174
Base-Backbone interact. energy: -2.507
local terms energy: -613.854927
where:
bonds (distance) C4'-P energy: -107.691
bonds (distance) P-C4' energy: -144.904
flat angles C4'-P-C4' energy: -143.113
flat angles P-C4'-P energy: -85.087
tors. eta vs tors. theta energy: -133.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1513.794006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.794006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.794006 (E_RNA)
where:
Base-Base interactions energy: -944.866
where: short stacking energy: -427.858
Base-Backbone interact. energy: 1.031
local terms energy: -569.959537
where:
bonds (distance) C4'-P energy: -135.404
bonds (distance) P-C4' energy: -128.117
flat angles C4'-P-C4' energy: -141.519
flat angles P-C4'-P energy: -70.486
tors. eta vs tors. theta energy: -94.433
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1041.222142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.222142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.222142 (E_RNA)
where:
Base-Base interactions energy: -553.234
where: short stacking energy: -273.959
Base-Backbone interact. energy: 4.645
local terms energy: -492.633558
where:
bonds (distance) C4'-P energy: -132.975
bonds (distance) P-C4' energy: -144.869
flat angles C4'-P-C4' energy: -122.414
flat angles P-C4'-P energy: -83.957
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -847.919555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.919555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.919555 (E_RNA)
where:
Base-Base interactions energy: -432.495
where: short stacking energy: -254.784
Base-Backbone interact. energy: 9.522
local terms energy: -424.945715
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -126.109
flat angles C4'-P-C4' energy: -112.455
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2814.070580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.070580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.070580 (E_RNA)
where:
Base-Base interactions energy: -1983.938
where: short stacking energy: -790.644
Base-Backbone interact. energy: -3.132
local terms energy: -827.000758
where:
bonds (distance) C4'-P energy: -142.219
bonds (distance) P-C4' energy: -155.270
flat angles C4'-P-C4' energy: -182.253
flat angles P-C4'-P energy: -123.225
tors. eta vs tors. theta energy: -224.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2642.262661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.262661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.262661 (E_RNA)
where:
Base-Base interactions energy: -1838.014
where: short stacking energy: -767.429
Base-Backbone interact. energy: -7.061
local terms energy: -797.187451
where:
bonds (distance) C4'-P energy: -146.030
bonds (distance) P-C4' energy: -168.887
flat angles C4'-P-C4' energy: -159.056
flat angles P-C4'-P energy: -118.889
tors. eta vs tors. theta energy: -204.325
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: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2487.832761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.832761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.832761 (E_RNA)
where:
Base-Base interactions energy: -1665.292
where: short stacking energy: -742.271
Base-Backbone interact. energy: -0.112
local terms energy: -822.428836
where:
bonds (distance) C4'-P energy: -159.919
bonds (distance) P-C4' energy: -158.602
flat angles C4'-P-C4' energy: -181.281
flat angles P-C4'-P energy: -115.189
tors. eta vs tors. theta energy: -207.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2363.908775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.908775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.908775 (E_RNA)
where:
Base-Base interactions energy: -1589.792
where: short stacking energy: -703.209
Base-Backbone interact. energy: 0.463
local terms energy: -774.579981
where:
bonds (distance) C4'-P energy: -143.272
bonds (distance) P-C4' energy: -145.878
flat angles C4'-P-C4' energy: -158.536
flat angles P-C4'-P energy: -103.127
tors. eta vs tors. theta energy: -223.767
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: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2180.178240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.178240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.178240 (E_RNA)
where:
Base-Base interactions energy: -1459.088
where: short stacking energy: -661.686
Base-Backbone interact. energy: -1.285
local terms energy: -719.805777
where:
bonds (distance) C4'-P energy: -124.623
bonds (distance) P-C4' energy: -155.610
flat angles C4'-P-C4' energy: -162.742
flat angles P-C4'-P energy: -87.021
tors. eta vs tors. theta energy: -189.810
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: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2031.743438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.743438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.743438 (E_RNA)
where:
Base-Base interactions energy: -1366.493
where: short stacking energy: -593.736
Base-Backbone interact. energy: 2.928
local terms energy: -668.177950
where:
bonds (distance) C4'-P energy: -128.615
bonds (distance) P-C4' energy: -131.337
flat angles C4'-P-C4' energy: -159.123
flat angles P-C4'-P energy: -99.496
tors. eta vs tors. theta energy: -149.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1863.341898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.341898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.341898 (E_RNA)
where:
Base-Base interactions energy: -1214.924
where: short stacking energy: -529.367
Base-Backbone interact. energy: -2.356
local terms energy: -646.061813
where:
bonds (distance) C4'-P energy: -128.394
bonds (distance) P-C4' energy: -137.768
flat angles C4'-P-C4' energy: -144.411
flat angles P-C4'-P energy: -88.950
tors. eta vs tors. theta energy: -146.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1477.990321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.990321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.990321 (E_RNA)
where:
Base-Base interactions energy: -937.097
where: short stacking energy: -418.756
Base-Backbone interact. energy: -1.550
local terms energy: -539.343210
where:
bonds (distance) C4'-P energy: -137.033
bonds (distance) P-C4' energy: -121.701
flat angles C4'-P-C4' energy: -124.593
flat angles P-C4'-P energy: -86.637
tors. eta vs tors. theta energy: -69.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1073.520974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.520974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.520974 (E_RNA)
where:
Base-Base interactions energy: -602.202
where: short stacking energy: -317.820
Base-Backbone interact. energy: 0.141
local terms energy: -471.460281
where:
bonds (distance) C4'-P energy: -132.080
bonds (distance) P-C4' energy: -114.722
flat angles C4'-P-C4' energy: -121.169
flat angles P-C4'-P energy: -81.494
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -828.663887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.663887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.663887 (E_RNA)
where:
Base-Base interactions energy: -409.878
where: short stacking energy: -236.025
Base-Backbone interact. energy: -0.024
local terms energy: -418.761811
where:
bonds (distance) C4'-P energy: -125.476
bonds (distance) P-C4' energy: -111.432
flat angles C4'-P-C4' energy: -109.020
flat angles P-C4'-P energy: -73.470
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2825.050597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.050597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.050597 (E_RNA)
where:
Base-Base interactions energy: -2014.492
where: short stacking energy: -791.119
Base-Backbone interact. energy: 1.499
local terms energy: -812.057113
where:
bonds (distance) C4'-P energy: -144.905
bonds (distance) P-C4' energy: -153.695
flat angles C4'-P-C4' energy: -169.449
flat angles P-C4'-P energy: -120.253
tors. eta vs tors. theta energy: -223.755
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: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2682.291216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.291216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.291216 (E_RNA)
where:
Base-Base interactions energy: -1858.695
where: short stacking energy: -766.338
Base-Backbone interact. energy: -1.737
local terms energy: -821.859580
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -158.589
flat angles C4'-P-C4' energy: -182.419
flat angles P-C4'-P energy: -107.598
tors. eta vs tors. theta energy: -219.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2466.738969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.738969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.738969 (E_RNA)
where:
Base-Base interactions energy: -1652.814
where: short stacking energy: -716.102
Base-Backbone interact. energy: -3.824
local terms energy: -810.101480
where:
bonds (distance) C4'-P energy: -149.048
bonds (distance) P-C4' energy: -153.282
flat angles C4'-P-C4' energy: -178.134
flat angles P-C4'-P energy: -116.844
tors. eta vs tors. theta energy: -212.793
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: 420
Temperature: 1.050000
Total energy: -2378.219179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.219179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.219179 (E_RNA)
where:
Base-Base interactions energy: -1612.070
where: short stacking energy: -695.075
Base-Backbone interact. energy: -3.627
local terms energy: -762.522133
where:
bonds (distance) C4'-P energy: -145.717
bonds (distance) P-C4' energy: -147.247
flat angles C4'-P-C4' energy: -170.612
flat angles P-C4'-P energy: -114.729
tors. eta vs tors. theta energy: -184.217
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: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2180.726497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.726497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.726497 (E_RNA)
where:
Base-Base interactions energy: -1440.098
where: short stacking energy: -630.845
Base-Backbone interact. energy: 2.292
local terms energy: -742.921012
where:
bonds (distance) C4'-P energy: -154.620
bonds (distance) P-C4' energy: -148.792
flat angles C4'-P-C4' energy: -159.079
flat angles P-C4'-P energy: -108.216
tors. eta vs tors. theta energy: -172.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2012.179199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.179199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.179199 (E_RNA)
where:
Base-Base interactions energy: -1326.394
where: short stacking energy: -578.096
Base-Backbone interact. energy: 0.717
local terms energy: -686.502013
where:
bonds (distance) C4'-P energy: -135.785
bonds (distance) P-C4' energy: -147.479
flat angles C4'-P-C4' energy: -157.508
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -151.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1954.875654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.875654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.875654 (E_RNA)
where:
Base-Base interactions energy: -1279.780
where: short stacking energy: -592.161
Base-Backbone interact. energy: -3.206
local terms energy: -671.889372
where:
bonds (distance) C4'-P energy: -135.067
bonds (distance) P-C4' energy: -125.751
flat angles C4'-P-C4' energy: -163.265
flat angles P-C4'-P energy: -95.897
tors. eta vs tors. theta energy: -151.909
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: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1475.646599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.646599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.646599 (E_RNA)
where:
Base-Base interactions energy: -893.057
where: short stacking energy: -427.921
Base-Backbone interact. energy: 0.599
local terms energy: -583.188596
where:
bonds (distance) C4'-P energy: -121.739
bonds (distance) P-C4' energy: -148.553
flat angles C4'-P-C4' energy: -130.399
flat angles P-C4'-P energy: -94.091
tors. eta vs tors. theta energy: -88.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1075.063673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.063673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.063673 (E_RNA)
where:
Base-Base interactions energy: -607.226
where: short stacking energy: -288.230
Base-Backbone interact. energy: 0.831
local terms energy: -468.668497
where:
bonds (distance) C4'-P energy: -130.144
bonds (distance) P-C4' energy: -114.438
flat angles C4'-P-C4' energy: -125.230
flat angles P-C4'-P energy: -82.183
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -870.118516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.118516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.118516 (E_RNA)
where:
Base-Base interactions energy: -410.501
where: short stacking energy: -220.047
Base-Backbone interact. energy: 0.765
local terms energy: -460.382530
where:
bonds (distance) C4'-P energy: -129.045
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -76.725
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2829.014962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.014962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.014962 (E_RNA)
where:
Base-Base interactions energy: -1956.590
where: short stacking energy: -777.225
Base-Backbone interact. energy: -1.625
local terms energy: -870.800048
where:
bonds (distance) C4'-P energy: -161.306
bonds (distance) P-C4' energy: -170.653
flat angles C4'-P-C4' energy: -192.206
flat angles P-C4'-P energy: -120.709
tors. eta vs tors. theta energy: -225.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2675.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.146215 (E_RNA)
where:
Base-Base interactions energy: -1839.887
where: short stacking energy: -767.474
Base-Backbone interact. energy: -4.805
local terms energy: -830.453859
where:
bonds (distance) C4'-P energy: -162.038
bonds (distance) P-C4' energy: -155.862
flat angles C4'-P-C4' energy: -184.269
flat angles P-C4'-P energy: -118.640
tors. eta vs tors. theta energy: -209.645
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2487.577593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.577593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.577593 (E_RNA)
where:
Base-Base interactions energy: -1704.929
where: short stacking energy: -709.698
Base-Backbone interact. energy: -1.686
local terms energy: -780.962218
where:
bonds (distance) C4'-P energy: -164.822
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -176.302
flat angles P-C4'-P energy: -105.187
tors. eta vs tors. theta energy: -198.486
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2396.650153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.650153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.650153 (E_RNA)
where:
Base-Base interactions energy: -1616.848
where: short stacking energy: -698.621
Base-Backbone interact. energy: 0.974
local terms energy: -780.776149
where:
bonds (distance) C4'-P energy: -137.736
bonds (distance) P-C4' energy: -156.144
flat angles C4'-P-C4' energy: -179.316
flat angles P-C4'-P energy: -100.775
tors. eta vs tors. theta energy: -206.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2234.163555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.163555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.163555 (E_RNA)
where:
Base-Base interactions energy: -1500.475
where: short stacking energy: -640.605
Base-Backbone interact. energy: -0.878
local terms energy: -732.810478
where:
bonds (distance) C4'-P energy: -138.129
bonds (distance) P-C4' energy: -137.170
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -102.923
tors. eta vs tors. theta energy: -191.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2059.828996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.828996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.828996 (E_RNA)
where:
Base-Base interactions energy: -1360.429
where: short stacking energy: -595.396
Base-Backbone interact. energy: -0.002
local terms energy: -699.397500
where:
bonds (distance) C4'-P energy: -130.060
bonds (distance) P-C4' energy: -148.585
flat angles C4'-P-C4' energy: -163.365
flat angles P-C4'-P energy: -92.017
tors. eta vs tors. theta energy: -165.370
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: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1862.960141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.960141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.960141 (E_RNA)
where:
Base-Base interactions energy: -1206.842
where: short stacking energy: -543.041
Base-Backbone interact. energy: -0.913
local terms energy: -655.205187
where:
bonds (distance) C4'-P energy: -141.909
bonds (distance) P-C4' energy: -132.861
flat angles C4'-P-C4' energy: -142.374
flat angles P-C4'-P energy: -100.033
tors. eta vs tors. theta energy: -138.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1510.495649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.495649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.495649 (E_RNA)
where:
Base-Base interactions energy: -931.079
where: short stacking energy: -423.587
Base-Backbone interact. energy: 0.234
local terms energy: -579.651281
where:
bonds (distance) C4'-P energy: -130.732
bonds (distance) P-C4' energy: -130.163
flat angles C4'-P-C4' energy: -137.558
flat angles P-C4'-P energy: -79.138
tors. eta vs tors. theta energy: -102.060
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: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1064.574482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.574482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.574482 (E_RNA)
where:
Base-Base interactions energy: -607.157
where: short stacking energy: -305.414
Base-Backbone interact. energy: 4.016
local terms energy: -461.433441
where:
bonds (distance) C4'-P energy: -119.059
bonds (distance) P-C4' energy: -123.033
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -83.041
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -884.559672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.559672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.559672 (E_RNA)
where:
Base-Base interactions energy: -448.435
where: short stacking energy: -261.413
Base-Backbone interact. energy: -0.493
local terms energy: -435.631681
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -143.988
flat angles C4'-P-C4' energy: -106.821
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -15.294
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: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2816.146717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.146717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.146717 (E_RNA)
where:
Base-Base interactions energy: -1958.637
where: short stacking energy: -768.804
Base-Backbone interact. energy: -0.902
local terms energy: -856.607874
where:
bonds (distance) C4'-P energy: -173.248
bonds (distance) P-C4' energy: -177.278
flat angles C4'-P-C4' energy: -174.318
flat angles P-C4'-P energy: -123.357
tors. eta vs tors. theta energy: -208.406
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: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2726.261569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.261569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.261569 (E_RNA)
where:
Base-Base interactions energy: -1896.881
where: short stacking energy: -792.846
Base-Backbone interact. energy: -6.865
local terms energy: -822.515995
where:
bonds (distance) C4'-P energy: -141.905
bonds (distance) P-C4' energy: -169.530
flat angles C4'-P-C4' energy: -174.178
flat angles P-C4'-P energy: -120.718
tors. eta vs tors. theta energy: -216.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2492.534063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.534063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.534063 (E_RNA)
where:
Base-Base interactions energy: -1695.729
where: short stacking energy: -719.103
Base-Backbone interact. energy: 5.137
local terms energy: -801.942177
where:
bonds (distance) C4'-P energy: -152.441
bonds (distance) P-C4' energy: -153.876
flat angles C4'-P-C4' energy: -176.412
flat angles P-C4'-P energy: -121.707
tors. eta vs tors. theta energy: -197.506
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2381.984821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.984821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.984821 (E_RNA)
where:
Base-Base interactions energy: -1613.416
where: short stacking energy: -712.539
Base-Backbone interact. energy: -1.933
local terms energy: -766.636206
where:
bonds (distance) C4'-P energy: -155.513
bonds (distance) P-C4' energy: -128.140
flat angles C4'-P-C4' energy: -177.812
flat angles P-C4'-P energy: -104.285
tors. eta vs tors. theta energy: -200.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2241.298312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.298312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.298312 (E_RNA)
where:
Base-Base interactions energy: -1498.086
where: short stacking energy: -662.614
Base-Backbone interact. energy: 1.850
local terms energy: -745.062477
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -149.350
flat angles C4'-P-C4' energy: -156.632
flat angles P-C4'-P energy: -120.603
tors. eta vs tors. theta energy: -185.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2086.898513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.898513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.898513 (E_RNA)
where:
Base-Base interactions energy: -1382.660
where: short stacking energy: -610.047
Base-Backbone interact. energy: -0.229
local terms energy: -704.009955
where:
bonds (distance) C4'-P energy: -133.484
bonds (distance) P-C4' energy: -122.513
flat angles C4'-P-C4' energy: -164.199
flat angles P-C4'-P energy: -115.415
tors. eta vs tors. theta energy: -168.399
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: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1875.173660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.173660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.173660 (E_RNA)
where:
Base-Base interactions energy: -1225.265
where: short stacking energy: -546.036
Base-Backbone interact. energy: -3.395
local terms energy: -646.513900
where:
bonds (distance) C4'-P energy: -132.459
bonds (distance) P-C4' energy: -142.782
flat angles C4'-P-C4' energy: -141.119
flat angles P-C4'-P energy: -92.186
tors. eta vs tors. theta energy: -137.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1529.694026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.694026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.694026 (E_RNA)
where:
Base-Base interactions energy: -949.148
where: short stacking energy: -416.261
Base-Backbone interact. energy: -3.448
local terms energy: -577.098526
where:
bonds (distance) C4'-P energy: -143.360
bonds (distance) P-C4' energy: -152.579
flat angles C4'-P-C4' energy: -131.535
flat angles P-C4'-P energy: -62.172
tors. eta vs tors. theta energy: -87.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1118.966143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.966143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.966143 (E_RNA)
where:
Base-Base interactions energy: -650.005
where: short stacking energy: -331.201
Base-Backbone interact. energy: 2.549
local terms energy: -471.510591
where:
bonds (distance) C4'-P energy: -116.508
bonds (distance) P-C4' energy: -136.531
flat angles C4'-P-C4' energy: -100.468
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -30.712
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: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -820.834302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.834302 (E_RNA)
where:
Base-Base interactions energy: -399.845
where: short stacking energy: -212.266
Base-Backbone interact. energy: -1.107
local terms energy: -419.881646
where:
bonds (distance) C4'-P energy: -122.616
bonds (distance) P-C4' energy: -132.551
flat angles C4'-P-C4' energy: -104.731
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: 7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2835.879279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.879279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.879279 (E_RNA)
where:
Base-Base interactions energy: -1997.412
where: short stacking energy: -797.175
Base-Backbone interact. energy: -1.254
local terms energy: -837.212846
where:
bonds (distance) C4'-P energy: -148.499
bonds (distance) P-C4' energy: -171.416
flat angles C4'-P-C4' energy: -191.586
flat angles P-C4'-P energy: -106.714
tors. eta vs tors. theta energy: -218.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2669.298897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.298897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.298897 (E_RNA)
where:
Base-Base interactions energy: -1865.362
where: short stacking energy: -759.575
Base-Backbone interact. energy: -4.000
local terms energy: -799.936638
where:
bonds (distance) C4'-P energy: -139.758
bonds (distance) P-C4' energy: -160.721
flat angles C4'-P-C4' energy: -178.579
flat angles P-C4'-P energy: -108.065
tors. eta vs tors. theta energy: -212.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2474.803001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.803001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.803001 (E_RNA)
where:
Base-Base interactions energy: -1664.090
where: short stacking energy: -698.019
Base-Backbone interact. energy: -4.668
local terms energy: -806.045157
where:
bonds (distance) C4'-P energy: -153.236
bonds (distance) P-C4' energy: -160.319
flat angles C4'-P-C4' energy: -168.016
flat angles P-C4'-P energy: -119.663
tors. eta vs tors. theta energy: -204.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2363.017049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.017049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.017049 (E_RNA)
where:
Base-Base interactions energy: -1582.855
where: short stacking energy: -700.540
Base-Backbone interact. energy: -1.939
local terms energy: -778.222756
where:
bonds (distance) C4'-P energy: -145.977
bonds (distance) P-C4' energy: -151.016
flat angles C4'-P-C4' energy: -166.898
flat angles P-C4'-P energy: -110.756
tors. eta vs tors. theta energy: -203.575
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2207.722086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.722086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.722086 (E_RNA)
where:
Base-Base interactions energy: -1499.289
where: short stacking energy: -645.964
Base-Backbone interact. energy: -2.446
local terms energy: -705.987797
where:
bonds (distance) C4'-P energy: -130.252
bonds (distance) P-C4' energy: -128.947
flat angles C4'-P-C4' energy: -151.150
flat angles P-C4'-P energy: -112.023
tors. eta vs tors. theta energy: -183.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2041.461350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.461350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.461350 (E_RNA)
where:
Base-Base interactions energy: -1342.067
where: short stacking energy: -583.438
Base-Backbone interact. energy: -1.721
local terms energy: -697.673146
where:
bonds (distance) C4'-P energy: -119.001
bonds (distance) P-C4' energy: -166.421
flat angles C4'-P-C4' energy: -154.207
flat angles P-C4'-P energy: -97.096
tors. eta vs tors. theta energy: -160.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1854.177063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.177063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.177063 (E_RNA)
where:
Base-Base interactions energy: -1214.281
where: short stacking energy: -540.692
Base-Backbone interact. energy: 0.114
local terms energy: -640.010192
where:
bonds (distance) C4'-P energy: -129.031
bonds (distance) P-C4' energy: -151.318
flat angles C4'-P-C4' energy: -139.937
flat angles P-C4'-P energy: -84.442
tors. eta vs tors. theta energy: -135.282
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1605.563050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.563050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.563050 (E_RNA)
where:
Base-Base interactions energy: -996.247
where: short stacking energy: -447.473
Base-Backbone interact. energy: -1.700
local terms energy: -607.615780
where:
bonds (distance) C4'-P energy: -146.334
bonds (distance) P-C4' energy: -133.049
flat angles C4'-P-C4' energy: -130.403
flat angles P-C4'-P energy: -86.295
tors. eta vs tors. theta energy: -111.535
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: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1116.196760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.196760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.196760 (E_RNA)
where:
Base-Base interactions energy: -626.183
where: short stacking energy: -302.586
Base-Backbone interact. energy: -0.929
local terms energy: -489.084266
where:
bonds (distance) C4'-P energy: -133.761
bonds (distance) P-C4' energy: -130.800
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -32.784
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: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -773.316123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.316123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.316123 (E_RNA)
where:
Base-Base interactions energy: -338.805
where: short stacking energy: -216.047
Base-Backbone interact. energy: 2.957
local terms energy: -437.467719
where:
bonds (distance) C4'-P energy: -119.880
bonds (distance) P-C4' energy: -129.958
flat angles C4'-P-C4' energy: -113.886
flat angles P-C4'-P energy: -64.400
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2827.974296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.974296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.974296 (E_RNA)
where:
Base-Base interactions energy: -1985.778
where: short stacking energy: -797.314
Base-Backbone interact. energy: -1.945
local terms energy: -840.251302
where:
bonds (distance) C4'-P energy: -151.133
bonds (distance) P-C4' energy: -175.212
flat angles C4'-P-C4' energy: -180.677
flat angles P-C4'-P energy: -107.066
tors. eta vs tors. theta energy: -226.163
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2675.091520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.091520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.091520 (E_RNA)
where:
Base-Base interactions energy: -1872.097
where: short stacking energy: -769.726
Base-Backbone interact. energy: -3.685
local terms energy: -799.308928
where:
bonds (distance) C4'-P energy: -139.948
bonds (distance) P-C4' energy: -144.848
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -122.195
tors. eta vs tors. theta energy: -220.502
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: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2449.768505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.768505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.768505 (E_RNA)
where:
Base-Base interactions energy: -1655.337
where: short stacking energy: -722.508
Base-Backbone interact. energy: 0.665
local terms energy: -795.097400
where:
bonds (distance) C4'-P energy: -151.173
bonds (distance) P-C4' energy: -153.592
flat angles C4'-P-C4' energy: -187.227
flat angles P-C4'-P energy: -99.933
tors. eta vs tors. theta energy: -203.173
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: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2331.446860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.446860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.446860 (E_RNA)
where:
Base-Base interactions energy: -1558.715
where: short stacking energy: -695.143
Base-Backbone interact. energy: -1.973
local terms energy: -770.758971
where:
bonds (distance) C4'-P energy: -145.998
bonds (distance) P-C4' energy: -141.098
flat angles C4'-P-C4' energy: -170.434
flat angles P-C4'-P energy: -114.793
tors. eta vs tors. theta energy: -198.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2229.195754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.195754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.195754 (E_RNA)
where:
Base-Base interactions energy: -1462.042
where: short stacking energy: -650.155
Base-Backbone interact. energy: -2.709
local terms energy: -764.444615
where:
bonds (distance) C4'-P energy: -140.876
bonds (distance) P-C4' energy: -169.054
flat angles C4'-P-C4' energy: -175.401
flat angles P-C4'-P energy: -97.799
tors. eta vs tors. theta energy: -181.314
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2059.162908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.162908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.162908 (E_RNA)
where:
Base-Base interactions energy: -1318.878
where: short stacking energy: -597.093
Base-Backbone interact. energy: -1.460
local terms energy: -738.824804
where:
bonds (distance) C4'-P energy: -152.221
bonds (distance) P-C4' energy: -147.100
flat angles C4'-P-C4' energy: -162.460
flat angles P-C4'-P energy: -111.665
tors. eta vs tors. theta energy: -165.379
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: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1808.943410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.943410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.943410 (E_RNA)
where:
Base-Base interactions energy: -1173.967
where: short stacking energy: -514.134
Base-Backbone interact. energy: 5.999
local terms energy: -640.976157
where:
bonds (distance) C4'-P energy: -136.031
bonds (distance) P-C4' energy: -141.967
flat angles C4'-P-C4' energy: -148.100
flat angles P-C4'-P energy: -87.791
tors. eta vs tors. theta energy: -127.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1464.401441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.401441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.401441 (E_RNA)
where:
Base-Base interactions energy: -904.003
where: short stacking energy: -400.346
Base-Backbone interact. energy: -1.192
local terms energy: -559.206923
where:
bonds (distance) C4'-P energy: -134.882
bonds (distance) P-C4' energy: -134.053
flat angles C4'-P-C4' energy: -136.456
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -87.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1091.018683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.018683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.018683 (E_RNA)
where:
Base-Base interactions energy: -617.907
where: short stacking energy: -328.100
Base-Backbone interact. energy: 2.430
local terms energy: -475.541830
where:
bonds (distance) C4'-P energy: -116.169
bonds (distance) P-C4' energy: -113.178
flat angles C4'-P-C4' energy: -118.589
flat angles P-C4'-P energy: -78.945
tors. eta vs tors. theta energy: -48.661
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: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -909.932683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.932683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.932683 (E_RNA)
where:
Base-Base interactions energy: -483.308
where: short stacking energy: -243.926
Base-Backbone interact. energy: -2.009
local terms energy: -424.615327
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -130.371
flat angles C4'-P-C4' energy: -109.376
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2812.979803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.979803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.979803 (E_RNA)
where:
Base-Base interactions energy: -1971.873
where: short stacking energy: -789.268
Base-Backbone interact. energy: -0.940
local terms energy: -840.166588
where:
bonds (distance) C4'-P energy: -163.086
bonds (distance) P-C4' energy: -162.741
flat angles C4'-P-C4' energy: -182.826
flat angles P-C4'-P energy: -107.746
tors. eta vs tors. theta energy: -223.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2670.502548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.502548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.502548 (E_RNA)
where:
Base-Base interactions energy: -1894.301
where: short stacking energy: -753.632
Base-Backbone interact. energy: -1.611
local terms energy: -774.590438
where:
bonds (distance) C4'-P energy: -150.674
bonds (distance) P-C4' energy: -151.127
flat angles C4'-P-C4' energy: -170.364
flat angles P-C4'-P energy: -96.745
tors. eta vs tors. theta energy: -205.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2478.390944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.390944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.390944 (E_RNA)
where:
Base-Base interactions energy: -1660.443
where: short stacking energy: -725.404
Base-Backbone interact. energy: -2.228
local terms energy: -815.719509
where:
bonds (distance) C4'-P energy: -153.641
bonds (distance) P-C4' energy: -164.910
flat angles C4'-P-C4' energy: -169.117
flat angles P-C4'-P energy: -124.399
tors. eta vs tors. theta energy: -203.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2382.129632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.129632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.129632 (E_RNA)
where:
Base-Base interactions energy: -1631.408
where: short stacking energy: -683.602
Base-Backbone interact. energy: 1.981
local terms energy: -752.702542
where:
bonds (distance) C4'-P energy: -134.273
bonds (distance) P-C4' energy: -159.448
flat angles C4'-P-C4' energy: -166.339
flat angles P-C4'-P energy: -105.634
tors. eta vs tors. theta energy: -187.009
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2277.544094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.544094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.544094 (E_RNA)
where:
Base-Base interactions energy: -1509.887
where: short stacking energy: -660.578
Base-Backbone interact. energy: 0.709
local terms energy: -768.365518
where:
bonds (distance) C4'-P energy: -136.292
bonds (distance) P-C4' energy: -159.815
flat angles C4'-P-C4' energy: -180.244
flat angles P-C4'-P energy: -106.963
tors. eta vs tors. theta energy: -185.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2116.449574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.449574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.449574 (E_RNA)
where:
Base-Base interactions energy: -1413.236
where: short stacking energy: -615.952
Base-Backbone interact. energy: -0.345
local terms energy: -702.868619
where:
bonds (distance) C4'-P energy: -140.925
bonds (distance) P-C4' energy: -138.458
flat angles C4'-P-C4' energy: -142.007
flat angles P-C4'-P energy: -95.698
tors. eta vs tors. theta energy: -185.780
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1757.621672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.621672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.621672 (E_RNA)
where:
Base-Base interactions energy: -1127.095
where: short stacking energy: -508.532
Base-Backbone interact. energy: -2.900
local terms energy: -627.626643
where:
bonds (distance) C4'-P energy: -122.187
bonds (distance) P-C4' energy: -126.427
flat angles C4'-P-C4' energy: -145.308
flat angles P-C4'-P energy: -97.689
tors. eta vs tors. theta energy: -136.015
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: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1496.912559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.912559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.912559 (E_RNA)
where:
Base-Base interactions energy: -922.129
where: short stacking energy: -427.031
Base-Backbone interact. energy: -2.966
local terms energy: -571.817880
where:
bonds (distance) C4'-P energy: -127.171
bonds (distance) P-C4' energy: -129.868
flat angles C4'-P-C4' energy: -139.121
flat angles P-C4'-P energy: -89.449
tors. eta vs tors. theta energy: -86.210
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: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1078.217537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.217537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.217537 (E_RNA)
where:
Base-Base interactions energy: -632.191
where: short stacking energy: -343.193
Base-Backbone interact. energy: -0.814
local terms energy: -445.212935
where:
bonds (distance) C4'-P energy: -103.368
bonds (distance) P-C4' energy: -116.865
flat angles C4'-P-C4' energy: -104.983
flat angles P-C4'-P energy: -72.024
tors. eta vs tors. theta energy: -47.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -919.174993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.174993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.174993 (E_RNA)
where:
Base-Base interactions energy: -515.823
where: short stacking energy: -271.372
Base-Backbone interact. energy: 2.406
local terms energy: -405.758442
where:
bonds (distance) C4'-P energy: -109.945
bonds (distance) P-C4' energy: -136.762
flat angles C4'-P-C4' energy: -112.136
flat angles P-C4'-P energy: -49.605
tors. eta vs tors. theta energy: 2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2837.938229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.938229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.938229 (E_RNA)
where:
Base-Base interactions energy: -1988.606
where: short stacking energy: -789.015
Base-Backbone interact. energy: -3.545
local terms energy: -845.787605
where:
bonds (distance) C4'-P energy: -150.455
bonds (distance) P-C4' energy: -155.088
flat angles C4'-P-C4' energy: -193.870
flat angles P-C4'-P energy: -130.848
tors. eta vs tors. theta energy: -215.527
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2689.080933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.080933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.080933 (E_RNA)
where:
Base-Base interactions energy: -1904.088
where: short stacking energy: -754.525
Base-Backbone interact. energy: -0.254
local terms energy: -784.738456
where:
bonds (distance) C4'-P energy: -153.022
bonds (distance) P-C4' energy: -134.232
flat angles C4'-P-C4' energy: -173.800
flat angles P-C4'-P energy: -113.234
tors. eta vs tors. theta energy: -210.450
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: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2449.673110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.673110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.673110 (E_RNA)
where:
Base-Base interactions energy: -1641.873
where: short stacking energy: -710.971
Base-Backbone interact. energy: 6.682
local terms energy: -814.482643
where:
bonds (distance) C4'-P energy: -147.020
bonds (distance) P-C4' energy: -158.170
flat angles C4'-P-C4' energy: -172.874
flat angles P-C4'-P energy: -125.613
tors. eta vs tors. theta energy: -210.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2336.044125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.044125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.044125 (E_RNA)
where:
Base-Base interactions energy: -1578.439
where: short stacking energy: -698.049
Base-Backbone interact. energy: -1.692
local terms energy: -755.913337
where:
bonds (distance) C4'-P energy: -162.636
bonds (distance) P-C4' energy: -146.287
flat angles C4'-P-C4' energy: -150.305
flat angles P-C4'-P energy: -107.248
tors. eta vs tors. theta energy: -189.438
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: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2154.394763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.394763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.394763 (E_RNA)
where:
Base-Base interactions energy: -1423.461
where: short stacking energy: -645.451
Base-Backbone interact. energy: -3.118
local terms energy: -727.816302
where:
bonds (distance) C4'-P energy: -156.950
bonds (distance) P-C4' energy: -149.434
flat angles C4'-P-C4' energy: -145.947
flat angles P-C4'-P energy: -104.617
tors. eta vs tors. theta energy: -170.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2085.954180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.954180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.954180 (E_RNA)
where:
Base-Base interactions energy: -1395.327
where: short stacking energy: -630.525
Base-Backbone interact. energy: -2.400
local terms energy: -688.226308
where:
bonds (distance) C4'-P energy: -108.665
bonds (distance) P-C4' energy: -129.094
flat angles C4'-P-C4' energy: -166.447
flat angles P-C4'-P energy: -97.204
tors. eta vs tors. theta energy: -186.818
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1785.027038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.027038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.027038 (E_RNA)
where:
Base-Base interactions energy: -1167.014
where: short stacking energy: -522.697
Base-Backbone interact. energy: 0.974
local terms energy: -618.987841
where:
bonds (distance) C4'-P energy: -119.584
bonds (distance) P-C4' energy: -155.452
flat angles C4'-P-C4' energy: -136.451
flat angles P-C4'-P energy: -80.010
tors. eta vs tors. theta energy: -127.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1542.936341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.936341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.936341 (E_RNA)
where:
Base-Base interactions energy: -934.283
where: short stacking energy: -422.523
Base-Backbone interact. energy: -1.970
local terms energy: -606.683803
where:
bonds (distance) C4'-P energy: -147.617
bonds (distance) P-C4' energy: -136.709
flat angles C4'-P-C4' energy: -145.187
flat angles P-C4'-P energy: -82.347
tors. eta vs tors. theta energy: -94.824
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: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1080.348812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.348812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.348812 (E_RNA)
where:
Base-Base interactions energy: -599.217
where: short stacking energy: -293.727
Base-Backbone interact. energy: -1.614
local terms energy: -479.517373
where:
bonds (distance) C4'-P energy: -140.743
bonds (distance) P-C4' energy: -132.208
flat angles C4'-P-C4' energy: -103.638
flat angles P-C4'-P energy: -83.128
tors. eta vs tors. theta energy: -19.801
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: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -899.960907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.960907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.960907 (E_RNA)
where:
Base-Base interactions energy: -427.823
where: short stacking energy: -222.702
Base-Backbone interact. energy: -0.341
local terms energy: -471.797377
where:
bonds (distance) C4'-P energy: -117.093
bonds (distance) P-C4' energy: -151.413
flat angles C4'-P-C4' energy: -117.214
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2811.405630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.405630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.405630 (E_RNA)
where:
Base-Base interactions energy: -1968.519
where: short stacking energy: -796.649
Base-Backbone interact. energy: 5.744
local terms energy: -848.630952
where:
bonds (distance) C4'-P energy: -168.381
bonds (distance) P-C4' energy: -158.321
flat angles C4'-P-C4' energy: -183.275
flat angles P-C4'-P energy: -117.097
tors. eta vs tors. theta energy: -221.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2683.386912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.386912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.386912 (E_RNA)
where:
Base-Base interactions energy: -1883.775
where: short stacking energy: -765.543
Base-Backbone interact. energy: -1.273
local terms energy: -798.339488
where:
bonds (distance) C4'-P energy: -154.959
bonds (distance) P-C4' energy: -160.602
flat angles C4'-P-C4' energy: -169.121
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -207.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2464.512739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.512739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.512739 (E_RNA)
where:
Base-Base interactions energy: -1672.947
where: short stacking energy: -724.087
Base-Backbone interact. energy: -0.591
local terms energy: -790.975256
where:
bonds (distance) C4'-P energy: -152.733
bonds (distance) P-C4' energy: -152.493
flat angles C4'-P-C4' energy: -178.224
flat angles P-C4'-P energy: -112.715
tors. eta vs tors. theta energy: -194.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2297.364315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.364315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.364315 (E_RNA)
where:
Base-Base interactions energy: -1534.438
where: short stacking energy: -681.069
Base-Backbone interact. energy: -2.121
local terms energy: -760.806181
where:
bonds (distance) C4'-P energy: -143.737
bonds (distance) P-C4' energy: -154.235
flat angles C4'-P-C4' energy: -168.198
flat angles P-C4'-P energy: -100.854
tors. eta vs tors. theta energy: -193.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2178.031474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.031474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.031474 (E_RNA)
where:
Base-Base interactions energy: -1425.149
where: short stacking energy: -642.758
Base-Backbone interact. energy: -3.141
local terms energy: -749.741271
where:
bonds (distance) C4'-P energy: -146.462
bonds (distance) P-C4' energy: -143.109
flat angles C4'-P-C4' energy: -172.958
flat angles P-C4'-P energy: -100.821
tors. eta vs tors. theta energy: -186.391
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2112.744995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.744995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.744995 (E_RNA)
where:
Base-Base interactions energy: -1420.850
where: short stacking energy: -650.909
Base-Backbone interact. energy: -2.190
local terms energy: -689.704790
where:
bonds (distance) C4'-P energy: -132.511
bonds (distance) P-C4' energy: -134.221
flat angles C4'-P-C4' energy: -144.932
flat angles P-C4'-P energy: -99.684
tors. eta vs tors. theta energy: -178.357
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: 427
Temperature: 1.200000
Total energy: -1620.798513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.798513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.798513 (E_RNA)
where:
Base-Base interactions energy: -976.190
where: short stacking energy: -474.401
Base-Backbone interact. energy: -4.467
local terms energy: -640.140728
where:
bonds (distance) C4'-P energy: -145.196
bonds (distance) P-C4' energy: -142.674
flat angles C4'-P-C4' energy: -154.174
flat angles P-C4'-P energy: -87.402
tors. eta vs tors. theta energy: -110.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1502.324017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.324017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.324017 (E_RNA)
where:
Base-Base interactions energy: -946.806
where: short stacking energy: -427.090
Base-Backbone interact. energy: -0.840
local terms energy: -554.678076
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -133.255
flat angles C4'-P-C4' energy: -118.851
flat angles P-C4'-P energy: -77.072
tors. eta vs tors. theta energy: -94.851
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1015.497257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.497257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.497257 (E_RNA)
where:
Base-Base interactions energy: -561.392
where: short stacking energy: -292.907
Base-Backbone interact. energy: 3.198
local terms energy: -457.303169
where:
bonds (distance) C4'-P energy: -129.698
bonds (distance) P-C4' energy: -123.987
flat angles C4'-P-C4' energy: -135.921
flat angles P-C4'-P energy: -52.865
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -939.085607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.085607 (E_RNA)
where:
Base-Base interactions energy: -476.841
where: short stacking energy: -249.313
Base-Backbone interact. energy: -6.640
local terms energy: -455.604543
where:
bonds (distance) C4'-P energy: -116.867
bonds (distance) P-C4' energy: -133.405
flat angles C4'-P-C4' energy: -97.440
flat angles P-C4'-P energy: -77.541
tors. eta vs tors. theta energy: -30.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2822.838485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.838485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.838485 (E_RNA)
where:
Base-Base interactions energy: -1972.756
where: short stacking energy: -794.595
Base-Backbone interact. energy: -1.367
local terms energy: -848.715726
where:
bonds (distance) C4'-P energy: -159.367
bonds (distance) P-C4' energy: -159.017
flat angles C4'-P-C4' energy: -182.795
flat angles P-C4'-P energy: -106.287
tors. eta vs tors. theta energy: -241.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2698.010280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.010280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.010280 (E_RNA)
where:
Base-Base interactions energy: -1848.433
where: short stacking energy: -760.241
Base-Backbone interact. energy: -5.447
local terms energy: -844.130057
where:
bonds (distance) C4'-P energy: -157.702
bonds (distance) P-C4' energy: -172.064
flat angles C4'-P-C4' energy: -180.162
flat angles P-C4'-P energy: -118.035
tors. eta vs tors. theta energy: -216.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2453.623199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.623199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.623199 (E_RNA)
where:
Base-Base interactions energy: -1674.801
where: short stacking energy: -713.686
Base-Backbone interact. energy: 2.839
local terms energy: -781.660899
where:
bonds (distance) C4'-P energy: -134.287
bonds (distance) P-C4' energy: -157.894
flat angles C4'-P-C4' energy: -171.442
flat angles P-C4'-P energy: -110.737
tors. eta vs tors. theta energy: -207.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2260.867708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.867708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.867708 (E_RNA)
where:
Base-Base interactions energy: -1507.176
where: short stacking energy: -682.246
Base-Backbone interact. energy: -1.042
local terms energy: -752.649141
where:
bonds (distance) C4'-P energy: -142.177
bonds (distance) P-C4' energy: -146.509
flat angles C4'-P-C4' energy: -161.856
flat angles P-C4'-P energy: -116.369
tors. eta vs tors. theta energy: -185.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2228.206124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.206124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.206124 (E_RNA)
where:
Base-Base interactions energy: -1480.899
where: short stacking energy: -648.747
Base-Backbone interact. energy: -0.993
local terms energy: -746.314260
where:
bonds (distance) C4'-P energy: -150.363
bonds (distance) P-C4' energy: -135.754
flat angles C4'-P-C4' energy: -160.513
flat angles P-C4'-P energy: -114.854
tors. eta vs tors. theta energy: -184.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2136.533960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.533960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.533960 (E_RNA)
where:
Base-Base interactions energy: -1423.287
where: short stacking energy: -626.756
Base-Backbone interact. energy: -1.619
local terms energy: -711.628541
where:
bonds (distance) C4'-P energy: -129.100
bonds (distance) P-C4' energy: -150.683
flat angles C4'-P-C4' energy: -151.200
flat angles P-C4'-P energy: -104.850
tors. eta vs tors. theta energy: -175.795
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: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1663.450122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.450122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.450122 (E_RNA)
where:
Base-Base interactions energy: -1024.678
where: short stacking energy: -479.634
Base-Backbone interact. energy: -2.953
local terms energy: -635.819264
where:
bonds (distance) C4'-P energy: -127.776
bonds (distance) P-C4' energy: -148.230
flat angles C4'-P-C4' energy: -142.535
flat angles P-C4'-P energy: -104.826
tors. eta vs tors. theta energy: -112.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1535.964020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.964020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.964020 (E_RNA)
where:
Base-Base interactions energy: -943.925
where: short stacking energy: -430.417
Base-Backbone interact. energy: -0.224
local terms energy: -591.815030
where:
bonds (distance) C4'-P energy: -130.718
bonds (distance) P-C4' energy: -128.977
flat angles C4'-P-C4' energy: -154.088
flat angles P-C4'-P energy: -90.039
tors. eta vs tors. theta energy: -87.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1057.611509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.611509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.611509 (E_RNA)
where:
Base-Base interactions energy: -595.344
where: short stacking energy: -295.789
Base-Backbone interact. energy: 7.829
local terms energy: -470.096531
where:
bonds (distance) C4'-P energy: -135.496
bonds (distance) P-C4' energy: -141.384
flat angles C4'-P-C4' energy: -108.828
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1000.505874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.505874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.505874 (E_RNA)
where:
Base-Base interactions energy: -543.249
where: short stacking energy: -292.381
Base-Backbone interact. energy: 0.368
local terms energy: -457.624601
where:
bonds (distance) C4'-P energy: -111.539
bonds (distance) P-C4' energy: -133.850
flat angles C4'-P-C4' energy: -117.096
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2845.499802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.499802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.499802 (E_RNA)
where:
Base-Base interactions energy: -1975.168
where: short stacking energy: -802.697
Base-Backbone interact. energy: -3.035
local terms energy: -867.296201
where:
bonds (distance) C4'-P energy: -157.761
bonds (distance) P-C4' energy: -161.815
flat angles C4'-P-C4' energy: -186.419
flat angles P-C4'-P energy: -124.249
tors. eta vs tors. theta energy: -237.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2694.885562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.885562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.885562 (E_RNA)
where:
Base-Base interactions energy: -1855.727
where: short stacking energy: -769.523
Base-Backbone interact. energy: 4.623
local terms energy: -843.781875
where:
bonds (distance) C4'-P energy: -168.938
bonds (distance) P-C4' energy: -166.129
flat angles C4'-P-C4' energy: -178.850
flat angles P-C4'-P energy: -107.473
tors. eta vs tors. theta energy: -222.393
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2479.209013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.209013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.209013 (E_RNA)
where:
Base-Base interactions energy: -1684.685
where: short stacking energy: -717.110
Base-Backbone interact. energy: -3.908
local terms energy: -790.616496
where:
bonds (distance) C4'-P energy: -167.521
bonds (distance) P-C4' energy: -152.928
flat angles C4'-P-C4' energy: -153.159
flat angles P-C4'-P energy: -111.485
tors. eta vs tors. theta energy: -205.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2290.816835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.816835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.816835 (E_RNA)
where:
Base-Base interactions energy: -1531.051
where: short stacking energy: -691.681
Base-Backbone interact. energy: 1.179
local terms energy: -760.944869
where:
bonds (distance) C4'-P energy: -138.147
bonds (distance) P-C4' energy: -148.804
flat angles C4'-P-C4' energy: -161.710
flat angles P-C4'-P energy: -121.335
tors. eta vs tors. theta energy: -190.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2235.885537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.885537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.885537 (E_RNA)
where:
Base-Base interactions energy: -1524.323
where: short stacking energy: -664.335
Base-Backbone interact. energy: -3.326
local terms energy: -708.236653
where:
bonds (distance) C4'-P energy: -127.020
bonds (distance) P-C4' energy: -141.541
flat angles C4'-P-C4' energy: -150.761
flat angles P-C4'-P energy: -96.512
tors. eta vs tors. theta energy: -192.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2147.501965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.501965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.501965 (E_RNA)
where:
Base-Base interactions energy: -1423.746
where: short stacking energy: -618.514
Base-Backbone interact. energy: -0.092
local terms energy: -723.663995
where:
bonds (distance) C4'-P energy: -139.219
bonds (distance) P-C4' energy: -154.106
flat angles C4'-P-C4' energy: -151.582
flat angles P-C4'-P energy: -97.602
tors. eta vs tors. theta energy: -181.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1666.741879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.741879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.741879 (E_RNA)
where:
Base-Base interactions energy: -1052.762
where: short stacking energy: -460.120
Base-Backbone interact. energy: -0.837
local terms energy: -613.143709
where:
bonds (distance) C4'-P energy: -146.165
bonds (distance) P-C4' energy: -137.172
flat angles C4'-P-C4' energy: -132.835
flat angles P-C4'-P energy: -103.307
tors. eta vs tors. theta energy: -93.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1580.584159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.584159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.584159 (E_RNA)
where:
Base-Base interactions energy: -950.817
where: short stacking energy: -449.782
Base-Backbone interact. energy: 1.151
local terms energy: -630.918087
where:
bonds (distance) C4'-P energy: -127.834
bonds (distance) P-C4' energy: -144.804
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -104.974
tors. eta vs tors. theta energy: -112.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1110.230445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.230445 (E_RNA)
where:
Base-Base interactions energy: -623.203
where: short stacking energy: -301.404
Base-Backbone interact. energy: -4.468
local terms energy: -482.560192
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -148.133
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: -32.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -924.074318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.074318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.074318 (E_RNA)
where:
Base-Base interactions energy: -469.431
where: short stacking energy: -251.288
Base-Backbone interact. energy: -4.054
local terms energy: -450.589376
where:
bonds (distance) C4'-P energy: -121.904
bonds (distance) P-C4' energy: -132.386
flat angles C4'-P-C4' energy: -114.619
flat angles P-C4'-P energy: -74.098
tors. eta vs tors. theta energy: -7.583
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: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2832.892303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.892303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.892303 (E_RNA)
where:
Base-Base interactions energy: -1967.549
where: short stacking energy: -791.678
Base-Backbone interact. energy: -2.756
local terms energy: -862.587371
where:
bonds (distance) C4'-P energy: -156.539
bonds (distance) P-C4' energy: -165.359
flat angles C4'-P-C4' energy: -188.719
flat angles P-C4'-P energy: -122.229
tors. eta vs tors. theta energy: -229.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2693.506101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.506101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.506101 (E_RNA)
where:
Base-Base interactions energy: -1862.807
where: short stacking energy: -752.224
Base-Backbone interact. energy: 4.617
local terms energy: -835.316389
where:
bonds (distance) C4'-P energy: -159.195
bonds (distance) P-C4' energy: -175.384
flat angles C4'-P-C4' energy: -171.774
flat angles P-C4'-P energy: -117.446
tors. eta vs tors. theta energy: -211.518
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2450.880859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.880859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.880859 (E_RNA)
where:
Base-Base interactions energy: -1688.594
where: short stacking energy: -729.169
Base-Backbone interact. energy: -3.178
local terms energy: -759.108890
where:
bonds (distance) C4'-P energy: -141.682
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -169.701
flat angles P-C4'-P energy: -103.095
tors. eta vs tors. theta energy: -210.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2291.825217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.825217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.825217 (E_RNA)
where:
Base-Base interactions energy: -1517.573
where: short stacking energy: -657.990
Base-Backbone interact. energy: 1.113
local terms energy: -775.364883
where:
bonds (distance) C4'-P energy: -153.326
bonds (distance) P-C4' energy: -154.778
flat angles C4'-P-C4' energy: -161.975
flat angles P-C4'-P energy: -111.841
tors. eta vs tors. theta energy: -193.445
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: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2310.607895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.607895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.607895 (E_RNA)
where:
Base-Base interactions energy: -1555.369
where: short stacking energy: -695.257
Base-Backbone interact. energy: 2.089
local terms energy: -757.328140
where:
bonds (distance) C4'-P energy: -139.520
bonds (distance) P-C4' energy: -151.882
flat angles C4'-P-C4' energy: -171.375
flat angles P-C4'-P energy: -110.367
tors. eta vs tors. theta energy: -184.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2146.795022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.795022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.795022 (E_RNA)
where:
Base-Base interactions energy: -1408.549
where: short stacking energy: -617.292
Base-Backbone interact. energy: 0.882
local terms energy: -739.128461
where:
bonds (distance) C4'-P energy: -139.044
bonds (distance) P-C4' energy: -131.938
flat angles C4'-P-C4' energy: -172.236
flat angles P-C4'-P energy: -121.540
tors. eta vs tors. theta energy: -174.371
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: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1741.218294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.218294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.218294 (E_RNA)
where:
Base-Base interactions energy: -1124.823
where: short stacking energy: -532.963
Base-Backbone interact. energy: -2.552
local terms energy: -613.843530
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -143.949
flat angles C4'-P-C4' energy: -142.511
flat angles P-C4'-P energy: -74.954
tors. eta vs tors. theta energy: -129.373
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: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1520.620958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.620958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.620958 (E_RNA)
where:
Base-Base interactions energy: -958.752
where: short stacking energy: -405.774
Base-Backbone interact. energy: 0.511
local terms energy: -562.380006
where:
bonds (distance) C4'-P energy: -133.642
bonds (distance) P-C4' energy: -131.466
flat angles C4'-P-C4' energy: -138.670
flat angles P-C4'-P energy: -82.867
tors. eta vs tors. theta energy: -75.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1140.903860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.903860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.903860 (E_RNA)
where:
Base-Base interactions energy: -615.652
where: short stacking energy: -291.349
Base-Backbone interact. energy: -0.355
local terms energy: -524.897054
where:
bonds (distance) C4'-P energy: -159.362
bonds (distance) P-C4' energy: -146.024
flat angles C4'-P-C4' energy: -137.233
flat angles P-C4'-P energy: -61.973
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -968.268053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.268053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.268053 (E_RNA)
where:
Base-Base interactions energy: -518.938
where: short stacking energy: -261.039
Base-Backbone interact. energy: 1.102
local terms energy: -450.431830
where:
bonds (distance) C4'-P energy: -121.778
bonds (distance) P-C4' energy: -109.123
flat angles C4'-P-C4' energy: -116.758
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2843.682570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.682570 (E_RNA)
where:
Base-Base interactions energy: -1978.590
where: short stacking energy: -803.066
Base-Backbone interact. energy: -0.988
local terms energy: -864.104223
where:
bonds (distance) C4'-P energy: -164.792
bonds (distance) P-C4' energy: -161.068
flat angles C4'-P-C4' energy: -186.381
flat angles P-C4'-P energy: -128.670
tors. eta vs tors. theta energy: -223.193
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2688.972026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.972026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.972026 (E_RNA)
where:
Base-Base interactions energy: -1868.734
where: short stacking energy: -774.922
Base-Backbone interact. energy: -6.002
local terms energy: -815.083648
where:
bonds (distance) C4'-P energy: -149.237
bonds (distance) P-C4' energy: -168.109
flat angles C4'-P-C4' energy: -173.213
flat angles P-C4'-P energy: -121.974
tors. eta vs tors. theta energy: -202.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.848 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2474.390228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.390228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.390228 (E_RNA)
where:
Base-Base interactions energy: -1667.986
where: short stacking energy: -744.770
Base-Backbone interact. energy: -1.751
local terms energy: -804.653451
where:
bonds (distance) C4'-P energy: -147.149
bonds (distance) P-C4' energy: -168.526
flat angles C4'-P-C4' energy: -162.265
flat angles P-C4'-P energy: -105.766
tors. eta vs tors. theta energy: -220.948
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2360.363269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.363269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.363269 (E_RNA)
where:
Base-Base interactions energy: -1604.760
where: short stacking energy: -672.406
Base-Backbone interact. energy: -2.919
local terms energy: -752.684093
where:
bonds (distance) C4'-P energy: -117.493
bonds (distance) P-C4' energy: -155.746
flat angles C4'-P-C4' energy: -165.574
flat angles P-C4'-P energy: -112.737
tors. eta vs tors. theta energy: -201.135
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: 431
Temperature: 1.100000
Total energy: -2192.488428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.488428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.488428 (E_RNA)
where:
Base-Base interactions energy: -1458.059
where: short stacking energy: -639.414
Base-Backbone interact. energy: -0.295
local terms energy: -734.134868
where:
bonds (distance) C4'-P energy: -133.712
bonds (distance) P-C4' energy: -149.242
flat angles C4'-P-C4' energy: -160.616
flat angles P-C4'-P energy: -104.078
tors. eta vs tors. theta energy: -186.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2133.820784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.820784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.820784 (E_RNA)
where:
Base-Base interactions energy: -1436.215
where: short stacking energy: -624.757
Base-Backbone interact. energy: 0.264
local terms energy: -697.869921
where:
bonds (distance) C4'-P energy: -127.976
bonds (distance) P-C4' energy: -137.015
flat angles C4'-P-C4' energy: -166.026
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -170.820
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: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1708.520084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.520084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.520084 (E_RNA)
where:
Base-Base interactions energy: -1083.317
where: short stacking energy: -451.965
Base-Backbone interact. energy: 1.643
local terms energy: -626.846367
where:
bonds (distance) C4'-P energy: -138.604
bonds (distance) P-C4' energy: -142.379
flat angles C4'-P-C4' energy: -145.670
flat angles P-C4'-P energy: -90.808
tors. eta vs tors. theta energy: -109.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1427.264394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.264394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.264394 (E_RNA)
where:
Base-Base interactions energy: -879.033
where: short stacking energy: -399.546
Base-Backbone interact. energy: -1.112
local terms energy: -547.119211
where:
bonds (distance) C4'-P energy: -151.589
bonds (distance) P-C4' energy: -123.915
flat angles C4'-P-C4' energy: -128.351
flat angles P-C4'-P energy: -73.900
tors. eta vs tors. theta energy: -69.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1116.211761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.211761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.211761 (E_RNA)
where:
Base-Base interactions energy: -644.985
where: short stacking energy: -315.461
Base-Backbone interact. energy: -0.406
local terms energy: -470.820561
where:
bonds (distance) C4'-P energy: -121.416
bonds (distance) P-C4' energy: -124.045
flat angles C4'-P-C4' energy: -131.180
flat angles P-C4'-P energy: -73.756
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: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -990.792272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.792272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.792272 (E_RNA)
where:
Base-Base interactions energy: -566.193
where: short stacking energy: -275.705
Base-Backbone interact. energy: 4.238
local terms energy: -428.837125
where:
bonds (distance) C4'-P energy: -112.566
bonds (distance) P-C4' energy: -132.864
flat angles C4'-P-C4' energy: -109.121
flat angles P-C4'-P energy: -53.210
tors. eta vs tors. theta energy: -21.076
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2823.097362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.097362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.097362 (E_RNA)
where:
Base-Base interactions energy: -1967.165
where: short stacking energy: -789.699
Base-Backbone interact. energy: -0.863
local terms energy: -855.069794
where:
bonds (distance) C4'-P energy: -164.014
bonds (distance) P-C4' energy: -176.987
flat angles C4'-P-C4' energy: -176.605
flat angles P-C4'-P energy: -111.632
tors. eta vs tors. theta energy: -225.832
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: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2669.275443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.275443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.275443 (E_RNA)
where:
Base-Base interactions energy: -1835.990
where: short stacking energy: -765.408
Base-Backbone interact. energy: -6.858
local terms energy: -826.427012
where:
bonds (distance) C4'-P energy: -147.771
bonds (distance) P-C4' energy: -164.556
flat angles C4'-P-C4' energy: -183.653
flat angles P-C4'-P energy: -113.298
tors. eta vs tors. theta energy: -217.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2479.322131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.322131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.322131 (E_RNA)
where:
Base-Base interactions energy: -1683.859
where: short stacking energy: -729.688
Base-Backbone interact. energy: -2.946
local terms energy: -792.517082
where:
bonds (distance) C4'-P energy: -143.867
bonds (distance) P-C4' energy: -156.224
flat angles C4'-P-C4' energy: -170.770
flat angles P-C4'-P energy: -115.915
tors. eta vs tors. theta energy: -205.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2377.735441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.735441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.735441 (E_RNA)
where:
Base-Base interactions energy: -1565.096
where: short stacking energy: -687.747
Base-Backbone interact. energy: -4.565
local terms energy: -808.074075
where:
bonds (distance) C4'-P energy: -145.410
bonds (distance) P-C4' energy: -149.640
flat angles C4'-P-C4' energy: -178.242
flat angles P-C4'-P energy: -126.986
tors. eta vs tors. theta energy: -207.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2210.490494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.490494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.490494 (E_RNA)
where:
Base-Base interactions energy: -1470.463
where: short stacking energy: -645.938
Base-Backbone interact. energy: -2.684
local terms energy: -737.343929
where:
bonds (distance) C4'-P energy: -139.723
bonds (distance) P-C4' energy: -138.544
flat angles C4'-P-C4' energy: -151.461
flat angles P-C4'-P energy: -116.361
tors. eta vs tors. theta energy: -191.254
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2043.648686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.648686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.648686 (E_RNA)
where:
Base-Base interactions energy: -1362.621
where: short stacking energy: -594.810
Base-Backbone interact. energy: 1.004
local terms energy: -682.032374
where:
bonds (distance) C4'-P energy: -119.171
bonds (distance) P-C4' energy: -138.701
flat angles C4'-P-C4' energy: -159.771
flat angles P-C4'-P energy: -109.215
tors. eta vs tors. theta energy: -155.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1787.354318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.354318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.354318 (E_RNA)
where:
Base-Base interactions energy: -1133.538
where: short stacking energy: -517.873
Base-Backbone interact. energy: -1.351
local terms energy: -652.465330
where:
bonds (distance) C4'-P energy: -131.764
bonds (distance) P-C4' energy: -141.930
flat angles C4'-P-C4' energy: -160.379
flat angles P-C4'-P energy: -87.366
tors. eta vs tors. theta energy: -131.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1449.975459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.975459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.975459 (E_RNA)
where:
Base-Base interactions energy: -898.819
where: short stacking energy: -425.007
Base-Backbone interact. energy: 3.121
local terms energy: -554.277904
where:
bonds (distance) C4'-P energy: -108.811
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -141.492
flat angles P-C4'-P energy: -94.286
tors. eta vs tors. theta energy: -83.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1119.100717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.100717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.100717 (E_RNA)
where:
Base-Base interactions energy: -613.694
where: short stacking energy: -292.144
Base-Backbone interact. energy: -3.397
local terms energy: -502.106500
where:
bonds (distance) C4'-P energy: -139.317
bonds (distance) P-C4' energy: -154.906
flat angles C4'-P-C4' energy: -131.827
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -957.575403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.575403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.575403 (E_RNA)
where:
Base-Base interactions energy: -526.225
where: short stacking energy: -256.126
Base-Backbone interact. energy: 1.083
local terms energy: -432.433407
where:
bonds (distance) C4'-P energy: -120.308
bonds (distance) P-C4' energy: -128.738
flat angles C4'-P-C4' energy: -108.646
flat angles P-C4'-P energy: -73.416
tors. eta vs tors. theta energy: -1.325
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: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2837.725914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.725914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.725914 (E_RNA)
where:
Base-Base interactions energy: -1981.395
where: short stacking energy: -809.664
Base-Backbone interact. energy: -1.048
local terms energy: -855.282854
where:
bonds (distance) C4'-P energy: -165.452
bonds (distance) P-C4' energy: -155.135
flat angles C4'-P-C4' energy: -181.881
flat angles P-C4'-P energy: -117.401
tors. eta vs tors. theta energy: -235.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2663.436926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.436926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.436926 (E_RNA)
where:
Base-Base interactions energy: -1838.044
where: short stacking energy: -739.021
Base-Backbone interact. energy: -0.793
local terms energy: -824.599938
where:
bonds (distance) C4'-P energy: -166.546
bonds (distance) P-C4' energy: -150.583
flat angles C4'-P-C4' energy: -185.079
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -211.025
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: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2511.711851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.711851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.711851 (E_RNA)
where:
Base-Base interactions energy: -1693.594
where: short stacking energy: -727.571
Base-Backbone interact. energy: -2.788
local terms energy: -815.329655
where:
bonds (distance) C4'-P energy: -151.954
bonds (distance) P-C4' energy: -156.243
flat angles C4'-P-C4' energy: -171.260
flat angles P-C4'-P energy: -118.650
tors. eta vs tors. theta energy: -217.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2367.412278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.412278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.412278 (E_RNA)
where:
Base-Base interactions energy: -1593.124
where: short stacking energy: -678.639
Base-Backbone interact. energy: 1.165
local terms energy: -775.453128
where:
bonds (distance) C4'-P energy: -134.182
bonds (distance) P-C4' energy: -130.449
flat angles C4'-P-C4' energy: -184.553
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -222.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2246.610793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.610793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.610793 (E_RNA)
where:
Base-Base interactions energy: -1481.382
where: short stacking energy: -662.530
Base-Backbone interact. energy: -2.037
local terms energy: -763.208559
where:
bonds (distance) C4'-P energy: -134.265
bonds (distance) P-C4' energy: -144.673
flat angles C4'-P-C4' energy: -162.725
flat angles P-C4'-P energy: -118.752
tors. eta vs tors. theta energy: -202.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2020.935123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.935123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.935123 (E_RNA)
where:
Base-Base interactions energy: -1351.472
where: short stacking energy: -610.435
Base-Backbone interact. energy: -1.571
local terms energy: -667.891990
where:
bonds (distance) C4'-P energy: -130.578
bonds (distance) P-C4' energy: -133.567
flat angles C4'-P-C4' energy: -167.428
flat angles P-C4'-P energy: -85.963
tors. eta vs tors. theta energy: -150.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1748.149374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.149374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.149374 (E_RNA)
where:
Base-Base interactions energy: -1119.299
where: short stacking energy: -499.465
Base-Backbone interact. energy: -2.589
local terms energy: -626.261055
where:
bonds (distance) C4'-P energy: -124.070
bonds (distance) P-C4' energy: -139.884
flat angles C4'-P-C4' energy: -152.293
flat angles P-C4'-P energy: -80.772
tors. eta vs tors. theta energy: -129.241
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: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1466.822774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.822774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.822774 (E_RNA)
where:
Base-Base interactions energy: -920.941
where: short stacking energy: -406.733
Base-Backbone interact. energy: -2.769
local terms energy: -543.113002
where:
bonds (distance) C4'-P energy: -136.584
bonds (distance) P-C4' energy: -137.031
flat angles C4'-P-C4' energy: -137.470
flat angles P-C4'-P energy: -54.580
tors. eta vs tors. theta energy: -77.448
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: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1033.764209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.764209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.764209 (E_RNA)
where:
Base-Base interactions energy: -606.628
where: short stacking energy: -290.383
Base-Backbone interact. energy: -1.489
local terms energy: -425.647393
where:
bonds (distance) C4'-P energy: -122.863
bonds (distance) P-C4' energy: -126.514
flat angles C4'-P-C4' energy: -104.722
flat angles P-C4'-P energy: -71.621
tors. eta vs tors. theta energy: 0.072
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -957.546576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.546576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.546576 (E_RNA)
where:
Base-Base interactions energy: -503.902
where: short stacking energy: -287.594
Base-Backbone interact. energy: -2.673
local terms energy: -450.971184
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -135.914
flat angles C4'-P-C4' energy: -119.092
flat angles P-C4'-P energy: -61.229
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2824.875823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.875823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.875823 (E_RNA)
where:
Base-Base interactions energy: -1984.832
where: short stacking energy: -774.126
Base-Backbone interact. energy: 0.901
local terms energy: -840.944382
where:
bonds (distance) C4'-P energy: -165.378
bonds (distance) P-C4' energy: -153.624
flat angles C4'-P-C4' energy: -183.662
flat angles P-C4'-P energy: -119.106
tors. eta vs tors. theta energy: -219.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2690.963125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.963125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.963125 (E_RNA)
where:
Base-Base interactions energy: -1877.348
where: short stacking energy: -757.215
Base-Backbone interact. energy: -2.301
local terms energy: -811.313585
where:
bonds (distance) C4'-P energy: -138.184
bonds (distance) P-C4' energy: -161.871
flat angles C4'-P-C4' energy: -177.019
flat angles P-C4'-P energy: -113.465
tors. eta vs tors. theta energy: -220.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2524.884272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.884272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.884272 (E_RNA)
where:
Base-Base interactions energy: -1700.528
where: short stacking energy: -738.414
Base-Backbone interact. energy: -1.642
local terms energy: -822.725064
where:
bonds (distance) C4'-P energy: -157.219
bonds (distance) P-C4' energy: -158.189
flat angles C4'-P-C4' energy: -180.646
flat angles P-C4'-P energy: -104.630
tors. eta vs tors. theta energy: -222.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2358.079284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.079284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.079284 (E_RNA)
where:
Base-Base interactions energy: -1559.361
where: short stacking energy: -693.051
Base-Backbone interact. energy: -3.387
local terms energy: -795.330829
where:
bonds (distance) C4'-P energy: -157.413
bonds (distance) P-C4' energy: -148.541
flat angles C4'-P-C4' energy: -173.603
flat angles P-C4'-P energy: -108.827
tors. eta vs tors. theta energy: -206.946
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: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2212.407129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.407129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.407129 (E_RNA)
where:
Base-Base interactions energy: -1491.420
where: short stacking energy: -653.759
Base-Backbone interact. energy: -2.217
local terms energy: -718.770138
where:
bonds (distance) C4'-P energy: -145.798
bonds (distance) P-C4' energy: -136.725
flat angles C4'-P-C4' energy: -162.421
flat angles P-C4'-P energy: -85.125
tors. eta vs tors. theta energy: -188.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2049.129067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.129067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.129067 (E_RNA)
where:
Base-Base interactions energy: -1322.317
where: short stacking energy: -636.319
Base-Backbone interact. energy: -2.243
local terms energy: -724.569218
where:
bonds (distance) C4'-P energy: -133.995
bonds (distance) P-C4' energy: -136.370
flat angles C4'-P-C4' energy: -173.406
flat angles P-C4'-P energy: -100.706
tors. eta vs tors. theta energy: -180.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1719.912647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.912647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.912647 (E_RNA)
where:
Base-Base interactions energy: -1111.483
where: short stacking energy: -479.180
Base-Backbone interact. energy: 1.623
local terms energy: -610.052905
where:
bonds (distance) C4'-P energy: -126.584
bonds (distance) P-C4' energy: -151.927
flat angles C4'-P-C4' energy: -126.999
flat angles P-C4'-P energy: -76.480
tors. eta vs tors. theta energy: -128.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1382.201466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.201466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.201466 (E_RNA)
where:
Base-Base interactions energy: -812.262
where: short stacking energy: -374.805
Base-Backbone interact. energy: -1.540
local terms energy: -568.399113
where:
bonds (distance) C4'-P energy: -128.511
bonds (distance) P-C4' energy: -142.898
flat angles C4'-P-C4' energy: -138.299
flat angles P-C4'-P energy: -92.051
tors. eta vs tors. theta energy: -66.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1054.656037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.656037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.656037 (E_RNA)
where:
Base-Base interactions energy: -574.737
where: short stacking energy: -311.347
Base-Backbone interact. energy: 4.013
local terms energy: -483.931779
where:
bonds (distance) C4'-P energy: -133.547
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -129.546
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -911.831833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.831833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.831833 (E_RNA)
where:
Base-Base interactions energy: -512.432
where: short stacking energy: -273.283
Base-Backbone interact. energy: 1.604
local terms energy: -401.004325
where:
bonds (distance) C4'-P energy: -100.921
bonds (distance) P-C4' energy: -122.957
flat angles C4'-P-C4' energy: -119.518
flat angles P-C4'-P energy: -54.733
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2830.861810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.861810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.861810 (E_RNA)
where:
Base-Base interactions energy: -1987.690
where: short stacking energy: -788.535
Base-Backbone interact. energy: -3.015
local terms energy: -840.156723
where:
bonds (distance) C4'-P energy: -139.097
bonds (distance) P-C4' energy: -165.631
flat angles C4'-P-C4' energy: -189.038
flat angles P-C4'-P energy: -121.559
tors. eta vs tors. theta energy: -224.832
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: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2699.385848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.385848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.385848 (E_RNA)
where:
Base-Base interactions energy: -1848.332
where: short stacking energy: -780.521
Base-Backbone interact. energy: -5.109
local terms energy: -845.944912
where:
bonds (distance) C4'-P energy: -156.963
bonds (distance) P-C4' energy: -162.582
flat angles C4'-P-C4' energy: -189.235
flat angles P-C4'-P energy: -115.779
tors. eta vs tors. theta energy: -221.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2525.499958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.499958 (E_RNA)
where:
Base-Base interactions energy: -1723.135
where: short stacking energy: -753.524
Base-Backbone interact. energy: -1.197
local terms energy: -801.167712
where:
bonds (distance) C4'-P energy: -142.098
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -174.355
flat angles P-C4'-P energy: -117.178
tors. eta vs tors. theta energy: -227.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2393.993232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.993232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.993232 (E_RNA)
where:
Base-Base interactions energy: -1658.133
where: short stacking energy: -713.013
Base-Backbone interact. energy: -1.243
local terms energy: -734.617797
where:
bonds (distance) C4'-P energy: -128.458
bonds (distance) P-C4' energy: -140.908
flat angles C4'-P-C4' energy: -162.942
flat angles P-C4'-P energy: -107.663
tors. eta vs tors. theta energy: -194.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2260.654477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.654477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.654477 (E_RNA)
where:
Base-Base interactions energy: -1527.734
where: short stacking energy: -669.319
Base-Backbone interact. energy: -5.046
local terms energy: -727.874335
where:
bonds (distance) C4'-P energy: -127.303
bonds (distance) P-C4' energy: -151.186
flat angles C4'-P-C4' energy: -157.076
flat angles P-C4'-P energy: -106.137
tors. eta vs tors. theta energy: -186.172
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: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1937.001899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.001899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.001899 (E_RNA)
where:
Base-Base interactions energy: -1233.946
where: short stacking energy: -531.038
Base-Backbone interact. energy: -5.569
local terms energy: -697.487047
where:
bonds (distance) C4'-P energy: -147.096
bonds (distance) P-C4' energy: -142.941
flat angles C4'-P-C4' energy: -158.375
flat angles P-C4'-P energy: -99.697
tors. eta vs tors. theta energy: -149.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1727.492446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.492446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.492446 (E_RNA)
where:
Base-Base interactions energy: -1122.224
where: short stacking energy: -485.829
Base-Backbone interact. energy: -2.699
local terms energy: -602.568975
where:
bonds (distance) C4'-P energy: -118.595
bonds (distance) P-C4' energy: -136.286
flat angles C4'-P-C4' energy: -146.796
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -109.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1382.265315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.265315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.265315 (E_RNA)
where:
Base-Base interactions energy: -859.271
where: short stacking energy: -414.283
Base-Backbone interact. energy: -2.648
local terms energy: -520.346182
where:
bonds (distance) C4'-P energy: -128.827
bonds (distance) P-C4' energy: -149.245
flat angles C4'-P-C4' energy: -129.879
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -63.825
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: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1049.879057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.879057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.879057 (E_RNA)
where:
Base-Base interactions energy: -557.908
where: short stacking energy: -283.872
Base-Backbone interact. energy: 1.114
local terms energy: -493.085238
where:
bonds (distance) C4'-P energy: -138.573
bonds (distance) P-C4' energy: -151.232
flat angles C4'-P-C4' energy: -127.398
flat angles P-C4'-P energy: -55.799
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -898.291210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.291210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.291210 (E_RNA)
where:
Base-Base interactions energy: -446.181
where: short stacking energy: -249.527
Base-Backbone interact. energy: 6.552
local terms energy: -458.661941
where:
bonds (distance) C4'-P energy: -129.165
bonds (distance) P-C4' energy: -133.392
flat angles C4'-P-C4' energy: -115.931
flat angles P-C4'-P energy: -89.397
tors. eta vs tors. theta energy: 9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2829.494127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.494127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.494127 (E_RNA)
where:
Base-Base interactions energy: -1946.447
where: short stacking energy: -790.607
Base-Backbone interact. energy: -3.651
local terms energy: -879.396959
where:
bonds (distance) C4'-P energy: -177.188
bonds (distance) P-C4' energy: -167.496
flat angles C4'-P-C4' energy: -183.140
flat angles P-C4'-P energy: -119.063
tors. eta vs tors. theta energy: -232.510
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: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2701.833298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.833298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.833298 (E_RNA)
where:
Base-Base interactions energy: -1871.659
where: short stacking energy: -777.662
Base-Backbone interact. energy: -1.809
local terms energy: -828.365282
where:
bonds (distance) C4'-P energy: -147.644
bonds (distance) P-C4' energy: -173.294
flat angles C4'-P-C4' energy: -181.188
flat angles P-C4'-P energy: -114.583
tors. eta vs tors. theta energy: -211.656
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: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2490.053567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.053567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.053567 (E_RNA)
where:
Base-Base interactions energy: -1670.956
where: short stacking energy: -717.398
Base-Backbone interact. energy: -5.240
local terms energy: -813.857838
where:
bonds (distance) C4'-P energy: -147.688
bonds (distance) P-C4' energy: -170.890
flat angles C4'-P-C4' energy: -175.395
flat angles P-C4'-P energy: -110.203
tors. eta vs tors. theta energy: -209.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2362.657437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.657437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.657437 (E_RNA)
where:
Base-Base interactions energy: -1618.073
where: short stacking energy: -662.610
Base-Backbone interact. energy: 2.852
local terms energy: -747.436006
where:
bonds (distance) C4'-P energy: -134.063
bonds (distance) P-C4' energy: -132.550
flat angles C4'-P-C4' energy: -165.516
flat angles P-C4'-P energy: -112.861
tors. eta vs tors. theta energy: -202.446
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: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2217.086154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.086154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.086154 (E_RNA)
where:
Base-Base interactions energy: -1477.720
where: short stacking energy: -646.023
Base-Backbone interact. energy: -2.529
local terms energy: -736.836592
where:
bonds (distance) C4'-P energy: -145.259
bonds (distance) P-C4' energy: -147.079
flat angles C4'-P-C4' energy: -155.365
flat angles P-C4'-P energy: -106.649
tors. eta vs tors. theta energy: -182.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1894.380790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.380790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.380790 (E_RNA)
where:
Base-Base interactions energy: -1203.506
where: short stacking energy: -542.822
Base-Backbone interact. energy: -4.071
local terms energy: -686.803701
where:
bonds (distance) C4'-P energy: -151.309
bonds (distance) P-C4' energy: -149.864
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -91.492
tors. eta vs tors. theta energy: -143.559
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1760.542153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.542153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.542153 (E_RNA)
where:
Base-Base interactions energy: -1137.706
where: short stacking energy: -524.211
Base-Backbone interact. energy: -5.993
local terms energy: -616.843450
where:
bonds (distance) C4'-P energy: -140.294
bonds (distance) P-C4' energy: -133.883
flat angles C4'-P-C4' energy: -145.132
flat angles P-C4'-P energy: -88.616
tors. eta vs tors. theta energy: -108.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1379.258248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.258248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.258248 (E_RNA)
where:
Base-Base interactions energy: -821.400
where: short stacking energy: -352.753
Base-Backbone interact. energy: -1.373
local terms energy: -556.485332
where:
bonds (distance) C4'-P energy: -136.030
bonds (distance) P-C4' energy: -139.323
flat angles C4'-P-C4' energy: -138.849
flat angles P-C4'-P energy: -80.455
tors. eta vs tors. theta energy: -61.828
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: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -964.365394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.365394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.365394 (E_RNA)
where:
Base-Base interactions energy: -510.810
where: short stacking energy: -253.277
Base-Backbone interact. energy: 1.401
local terms energy: -454.956468
where:
bonds (distance) C4'-P energy: -148.661
bonds (distance) P-C4' energy: -131.992
flat angles C4'-P-C4' energy: -104.424
flat angles P-C4'-P energy: -74.216
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -913.382054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.382054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.382054 (E_RNA)
where:
Base-Base interactions energy: -480.384
where: short stacking energy: -235.158
Base-Backbone interact. energy: 4.890
local terms energy: -437.887514
where:
bonds (distance) C4'-P energy: -144.419
bonds (distance) P-C4' energy: -112.993
flat angles C4'-P-C4' energy: -133.846
flat angles P-C4'-P energy: -60.073
tors. eta vs tors. theta energy: 13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2832.676335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.676335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.676335 (E_RNA)
where:
Base-Base interactions energy: -1963.718
where: short stacking energy: -798.347
Base-Backbone interact. energy: 1.690
local terms energy: -870.649102
where:
bonds (distance) C4'-P energy: -164.063
bonds (distance) P-C4' energy: -165.563
flat angles C4'-P-C4' energy: -186.942
flat angles P-C4'-P energy: -130.289
tors. eta vs tors. theta energy: -223.792
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: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2679.304662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.304662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.304662 (E_RNA)
where:
Base-Base interactions energy: -1865.879
where: short stacking energy: -749.899
Base-Backbone interact. energy: 3.293
local terms energy: -816.718732
where:
bonds (distance) C4'-P energy: -162.007
bonds (distance) P-C4' energy: -158.242
flat angles C4'-P-C4' energy: -162.645
flat angles P-C4'-P energy: -121.137
tors. eta vs tors. theta energy: -212.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2534.331563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.331563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.331563 (E_RNA)
where:
Base-Base interactions energy: -1698.129
where: short stacking energy: -762.178
Base-Backbone interact. energy: -0.173
local terms energy: -836.030410
where:
bonds (distance) C4'-P energy: -153.346
bonds (distance) P-C4' energy: -156.395
flat angles C4'-P-C4' energy: -183.049
flat angles P-C4'-P energy: -114.601
tors. eta vs tors. theta energy: -228.640
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: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2388.483486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.483486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.483486 (E_RNA)
where:
Base-Base interactions energy: -1632.656
where: short stacking energy: -663.438
Base-Backbone interact. energy: -1.782
local terms energy: -754.044795
where:
bonds (distance) C4'-P energy: -148.472
bonds (distance) P-C4' energy: -145.416
flat angles C4'-P-C4' energy: -153.258
flat angles P-C4'-P energy: -109.075
tors. eta vs tors. theta energy: -197.824
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: 437
Temperature: 1.100000
Total energy: -2240.296316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.296316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.296316 (E_RNA)
where:
Base-Base interactions energy: -1486.319
where: short stacking energy: -660.996
Base-Backbone interact. energy: 0.110
local terms energy: -754.087415
where:
bonds (distance) C4'-P energy: -147.251
bonds (distance) P-C4' energy: -147.342
flat angles C4'-P-C4' energy: -165.306
flat angles P-C4'-P energy: -113.363
tors. eta vs tors. theta energy: -180.826
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: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1974.671676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.671676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.671676 (E_RNA)
where:
Base-Base interactions energy: -1287.849
where: short stacking energy: -559.735
Base-Backbone interact. energy: 3.615
local terms energy: -690.437388
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -160.168
flat angles C4'-P-C4' energy: -157.349
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -159.504
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: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1756.484015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.484015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.484015 (E_RNA)
where:
Base-Base interactions energy: -1107.108
where: short stacking energy: -513.069
Base-Backbone interact. energy: -3.364
local terms energy: -646.012226
where:
bonds (distance) C4'-P energy: -126.789
bonds (distance) P-C4' energy: -139.715
flat angles C4'-P-C4' energy: -148.148
flat angles P-C4'-P energy: -101.460
tors. eta vs tors. theta energy: -129.900
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: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1400.049440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.049440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.049440 (E_RNA)
where:
Base-Base interactions energy: -875.716
where: short stacking energy: -427.686
Base-Backbone interact. energy: -1.146
local terms energy: -523.188115
where:
bonds (distance) C4'-P energy: -146.306
bonds (distance) P-C4' energy: -128.629
flat angles C4'-P-C4' energy: -117.615
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: -69.320
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: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1000.470344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.470344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.470344 (E_RNA)
where:
Base-Base interactions energy: -545.193
where: short stacking energy: -297.262
Base-Backbone interact. energy: 9.297
local terms energy: -464.574389
where:
bonds (distance) C4'-P energy: -128.515
bonds (distance) P-C4' energy: -145.824
flat angles C4'-P-C4' energy: -89.046
flat angles P-C4'-P energy: -93.146
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -904.921470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.921470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.921470 (E_RNA)
where:
Base-Base interactions energy: -475.639
where: short stacking energy: -272.345
Base-Backbone interact. energy: -2.705
local terms energy: -426.577287
where:
bonds (distance) C4'-P energy: -130.677
bonds (distance) P-C4' energy: -143.540
flat angles C4'-P-C4' energy: -81.683
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -3.390
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2833.373605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.373605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.373605 (E_RNA)
where:
Base-Base interactions energy: -1961.072
where: short stacking energy: -807.056
Base-Backbone interact. energy: -5.353
local terms energy: -866.949086
where:
bonds (distance) C4'-P energy: -149.763
bonds (distance) P-C4' energy: -166.757
flat angles C4'-P-C4' energy: -187.130
flat angles P-C4'-P energy: -124.134
tors. eta vs tors. theta energy: -239.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2694.135620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.135620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.135620 (E_RNA)
where:
Base-Base interactions energy: -1890.970
where: short stacking energy: -778.284
Base-Backbone interact. energy: -0.505
local terms energy: -802.660697
where:
bonds (distance) C4'-P energy: -156.542
bonds (distance) P-C4' energy: -153.453
flat angles C4'-P-C4' energy: -171.501
flat angles P-C4'-P energy: -108.730
tors. eta vs tors. theta energy: -212.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2519.379945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.379945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.379945 (E_RNA)
where:
Base-Base interactions energy: -1699.052
where: short stacking energy: -723.983
Base-Backbone interact. energy: -4.456
local terms energy: -815.871260
where:
bonds (distance) C4'-P energy: -150.176
bonds (distance) P-C4' energy: -155.035
flat angles C4'-P-C4' energy: -178.670
flat angles P-C4'-P energy: -115.410
tors. eta vs tors. theta energy: -216.580
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: 438
Temperature: 1.050000
Total energy: -2385.278180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.278180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.278180 (E_RNA)
where:
Base-Base interactions energy: -1617.807
where: short stacking energy: -711.082
Base-Backbone interact. energy: -2.286
local terms energy: -765.184927
where:
bonds (distance) C4'-P energy: -136.152
bonds (distance) P-C4' energy: -145.127
flat angles C4'-P-C4' energy: -179.716
flat angles P-C4'-P energy: -106.798
tors. eta vs tors. theta energy: -197.391
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: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2212.498107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.498107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.498107 (E_RNA)
where:
Base-Base interactions energy: -1477.974
where: short stacking energy: -635.505
Base-Backbone interact. energy: -4.195
local terms energy: -730.329186
where:
bonds (distance) C4'-P energy: -129.575
bonds (distance) P-C4' energy: -155.024
flat angles C4'-P-C4' energy: -174.375
flat angles P-C4'-P energy: -100.491
tors. eta vs tors. theta energy: -170.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1914.397827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.397827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.397827 (E_RNA)
where:
Base-Base interactions energy: -1224.044
where: short stacking energy: -546.982
Base-Backbone interact. energy: -3.200
local terms energy: -687.153683
where:
bonds (distance) C4'-P energy: -139.678
bonds (distance) P-C4' energy: -136.755
flat angles C4'-P-C4' energy: -176.055
flat angles P-C4'-P energy: -89.014
tors. eta vs tors. theta energy: -145.651
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1688.768949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.768949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.768949 (E_RNA)
where:
Base-Base interactions energy: -1038.507
where: short stacking energy: -480.477
Base-Backbone interact. energy: -1.440
local terms energy: -648.822074
where:
bonds (distance) C4'-P energy: -149.091
bonds (distance) P-C4' energy: -155.310
flat angles C4'-P-C4' energy: -134.545
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -120.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1417.183838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.183838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.183838 (E_RNA)
where:
Base-Base interactions energy: -853.725
where: short stacking energy: -383.554
Base-Backbone interact. energy: -3.461
local terms energy: -559.998036
where:
bonds (distance) C4'-P energy: -124.488
bonds (distance) P-C4' energy: -138.473
flat angles C4'-P-C4' energy: -122.250
flat angles P-C4'-P energy: -88.277
tors. eta vs tors. theta energy: -86.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -999.941492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.941492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.941492 (E_RNA)
where:
Base-Base interactions energy: -558.093
where: short stacking energy: -256.236
Base-Backbone interact. energy: 5.009
local terms energy: -446.856719
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -144.597
flat angles C4'-P-C4' energy: -100.227
flat angles P-C4'-P energy: -82.115
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -887.307967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.307967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.307967 (E_RNA)
where:
Base-Base interactions energy: -444.331
where: short stacking energy: -246.332
Base-Backbone interact. energy: 4.812
local terms energy: -447.789426
where:
bonds (distance) C4'-P energy: -136.573
bonds (distance) P-C4' energy: -124.044
flat angles C4'-P-C4' energy: -115.241
flat angles P-C4'-P energy: -70.197
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2846.160857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.160857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.160857 (E_RNA)
where:
Base-Base interactions energy: -1988.978
where: short stacking energy: -803.542
Base-Backbone interact. energy: -0.792
local terms energy: -856.390424
where:
bonds (distance) C4'-P energy: -143.555
bonds (distance) P-C4' energy: -172.449
flat angles C4'-P-C4' energy: -183.931
flat angles P-C4'-P energy: -120.997
tors. eta vs tors. theta energy: -235.458
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: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2640.312487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.312487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.312487 (E_RNA)
where:
Base-Base interactions energy: -1813.361
where: short stacking energy: -755.755
Base-Backbone interact. energy: 1.566
local terms energy: -828.517824
where:
bonds (distance) C4'-P energy: -169.949
bonds (distance) P-C4' energy: -160.351
flat angles C4'-P-C4' energy: -179.868
flat angles P-C4'-P energy: -102.982
tors. eta vs tors. theta energy: -215.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2532.794016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.794016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.794016 (E_RNA)
where:
Base-Base interactions energy: -1707.644
where: short stacking energy: -731.708
Base-Backbone interact. energy: -2.817
local terms energy: -822.333303
where:
bonds (distance) C4'-P energy: -150.960
bonds (distance) P-C4' energy: -156.543
flat angles C4'-P-C4' energy: -181.680
flat angles P-C4'-P energy: -111.151
tors. eta vs tors. theta energy: -222.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2370.475357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.475357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.475357 (E_RNA)
where:
Base-Base interactions energy: -1597.616
where: short stacking energy: -686.001
Base-Backbone interact. energy: -3.037
local terms energy: -769.822306
where:
bonds (distance) C4'-P energy: -125.653
bonds (distance) P-C4' energy: -159.047
flat angles C4'-P-C4' energy: -173.365
flat angles P-C4'-P energy: -118.154
tors. eta vs tors. theta energy: -193.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2190.984152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.984152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.984152 (E_RNA)
where:
Base-Base interactions energy: -1475.763
where: short stacking energy: -622.519
Base-Backbone interact. energy: 2.215
local terms energy: -717.435488
where:
bonds (distance) C4'-P energy: -155.898
bonds (distance) P-C4' energy: -146.803
flat angles C4'-P-C4' energy: -153.645
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -185.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1931.256853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.256853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.256853 (E_RNA)
where:
Base-Base interactions energy: -1296.357
where: short stacking energy: -593.518
Base-Backbone interact. energy: -2.491
local terms energy: -632.408929
where:
bonds (distance) C4'-P energy: -140.930
bonds (distance) P-C4' energy: -108.052
flat angles C4'-P-C4' energy: -140.922
flat angles P-C4'-P energy: -87.861
tors. eta vs tors. theta energy: -154.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1774.695088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.695088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.695088 (E_RNA)
where:
Base-Base interactions energy: -1144.361
where: short stacking energy: -515.595
Base-Backbone interact. energy: 0.415
local terms energy: -630.748678
where:
bonds (distance) C4'-P energy: -130.384
bonds (distance) P-C4' energy: -156.061
flat angles C4'-P-C4' energy: -132.511
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -133.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1463.034355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.034355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.034355 (E_RNA)
where:
Base-Base interactions energy: -876.361
where: short stacking energy: -409.923
Base-Backbone interact. energy: -0.776
local terms energy: -585.897199
where:
bonds (distance) C4'-P energy: -134.639
bonds (distance) P-C4' energy: -143.349
flat angles C4'-P-C4' energy: -139.966
flat angles P-C4'-P energy: -93.586
tors. eta vs tors. theta energy: -74.357
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: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1048.363012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.363012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.363012 (E_RNA)
where:
Base-Base interactions energy: -546.637
where: short stacking energy: -278.088
Base-Backbone interact. energy: -4.028
local terms energy: -497.698940
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -159.914
flat angles C4'-P-C4' energy: -118.081
flat angles P-C4'-P energy: -73.742
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -830.211625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.211625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.211625 (E_RNA)
where:
Base-Base interactions energy: -392.503
where: short stacking energy: -219.067
Base-Backbone interact. energy: 5.030
local terms energy: -442.738972
where:
bonds (distance) C4'-P energy: -132.348
bonds (distance) P-C4' energy: -118.379
flat angles C4'-P-C4' energy: -118.809
flat angles P-C4'-P energy: -70.547
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2821.562820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.562820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.562820 (E_RNA)
where:
Base-Base interactions energy: -1954.510
where: short stacking energy: -802.591
Base-Backbone interact. energy: -1.831
local terms energy: -865.221685
where:
bonds (distance) C4'-P energy: -156.647
bonds (distance) P-C4' energy: -158.665
flat angles C4'-P-C4' energy: -181.563
flat angles P-C4'-P energy: -130.279
tors. eta vs tors. theta energy: -238.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2651.370885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.370885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.370885 (E_RNA)
where:
Base-Base interactions energy: -1844.912
where: short stacking energy: -743.795
Base-Backbone interact. energy: -4.440
local terms energy: -802.019079
where:
bonds (distance) C4'-P energy: -156.151
bonds (distance) P-C4' energy: -156.319
flat angles C4'-P-C4' energy: -178.430
flat angles P-C4'-P energy: -106.534
tors. eta vs tors. theta energy: -204.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2505.812790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.812790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.812790 (E_RNA)
where:
Base-Base interactions energy: -1683.706
where: short stacking energy: -755.900
Base-Backbone interact. energy: 0.516
local terms energy: -822.623127
where:
bonds (distance) C4'-P energy: -151.049
bonds (distance) P-C4' energy: -162.372
flat angles C4'-P-C4' energy: -173.141
flat angles P-C4'-P energy: -114.357
tors. eta vs tors. theta energy: -221.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2343.790499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.790499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.790499 (E_RNA)
where:
Base-Base interactions energy: -1583.517
where: short stacking energy: -685.921
Base-Backbone interact. energy: -3.421
local terms energy: -756.852240
where:
bonds (distance) C4'-P energy: -143.532
bonds (distance) P-C4' energy: -149.935
flat angles C4'-P-C4' energy: -165.035
flat angles P-C4'-P energy: -100.742
tors. eta vs tors. theta energy: -197.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2181.663003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.663003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.663003 (E_RNA)
where:
Base-Base interactions energy: -1470.044
where: short stacking energy: -629.493
Base-Backbone interact. energy: -1.840
local terms energy: -709.779482
where:
bonds (distance) C4'-P energy: -132.513
bonds (distance) P-C4' energy: -143.770
flat angles C4'-P-C4' energy: -165.179
flat angles P-C4'-P energy: -101.433
tors. eta vs tors. theta energy: -166.884
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: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1905.188422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.188422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.188422 (E_RNA)
where:
Base-Base interactions energy: -1272.567
where: short stacking energy: -582.895
Base-Backbone interact. energy: -0.802
local terms energy: -631.819673
where:
bonds (distance) C4'-P energy: -144.627
bonds (distance) P-C4' energy: -135.840
flat angles C4'-P-C4' energy: -137.799
flat angles P-C4'-P energy: -70.270
tors. eta vs tors. theta energy: -143.284
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1844.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.266574 (E_RNA)
where:
Base-Base interactions energy: -1203.251
where: short stacking energy: -525.609
Base-Backbone interact. energy: -0.128
local terms energy: -640.887520
where:
bonds (distance) C4'-P energy: -142.578
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -157.332
flat angles P-C4'-P energy: -101.350
tors. eta vs tors. theta energy: -120.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1402.583621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.583621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.583621 (E_RNA)
where:
Base-Base interactions energy: -877.307
where: short stacking energy: -409.948
Base-Backbone interact. energy: 1.979
local terms energy: -527.255585
where:
bonds (distance) C4'-P energy: -137.772
bonds (distance) P-C4' energy: -135.309
flat angles C4'-P-C4' energy: -131.626
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -72.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1091.982766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.982766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.982766 (E_RNA)
where:
Base-Base interactions energy: -597.665
where: short stacking energy: -283.588
Base-Backbone interact. energy: -5.014
local terms energy: -489.304073
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -116.528
flat angles C4'-P-C4' energy: -127.802
flat angles P-C4'-P energy: -85.873
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -817.874256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.874256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.874256 (E_RNA)
where:
Base-Base interactions energy: -391.548
where: short stacking energy: -231.711
Base-Backbone interact. energy: 4.372
local terms energy: -430.697943
where:
bonds (distance) C4'-P energy: -128.918
bonds (distance) P-C4' energy: -124.355
flat angles C4'-P-C4' energy: -87.509
flat angles P-C4'-P energy: -66.558
tors. eta vs tors. theta energy: -23.358
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: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2834.103088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.103088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.103088 (E_RNA)
where:
Base-Base interactions energy: -1980.680
where: short stacking energy: -812.851
Base-Backbone interact. energy: -5.330
local terms energy: -848.092903
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -179.541
flat angles C4'-P-C4' energy: -177.184
flat angles P-C4'-P energy: -126.578
tors. eta vs tors. theta energy: -221.965
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: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2721.580912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.580912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.580912 (E_RNA)
where:
Base-Base interactions energy: -1899.203
where: short stacking energy: -788.303
Base-Backbone interact. energy: -1.524
local terms energy: -820.853988
where:
bonds (distance) C4'-P energy: -160.333
bonds (distance) P-C4' energy: -157.973
flat angles C4'-P-C4' energy: -176.589
flat angles P-C4'-P energy: -105.221
tors. eta vs tors. theta energy: -220.738
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: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2481.323554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.323554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.323554 (E_RNA)
where:
Base-Base interactions energy: -1675.225
where: short stacking energy: -756.975
Base-Backbone interact. energy: -0.066
local terms energy: -806.032974
where:
bonds (distance) C4'-P energy: -144.931
bonds (distance) P-C4' energy: -155.186
flat angles C4'-P-C4' energy: -178.224
flat angles P-C4'-P energy: -111.469
tors. eta vs tors. theta energy: -216.223
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: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2372.852574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.852574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.852574 (E_RNA)
where:
Base-Base interactions energy: -1586.871
where: short stacking energy: -692.855
Base-Backbone interact. energy: -2.574
local terms energy: -783.408008
where:
bonds (distance) C4'-P energy: -157.537
bonds (distance) P-C4' energy: -156.933
flat angles C4'-P-C4' energy: -153.670
flat angles P-C4'-P energy: -107.356
tors. eta vs tors. theta energy: -207.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2159.108881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.108881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.108881 (E_RNA)
where:
Base-Base interactions energy: -1419.511
where: short stacking energy: -652.856
Base-Backbone interact. energy: -1.029
local terms energy: -738.569385
where:
bonds (distance) C4'-P energy: -158.793
bonds (distance) P-C4' energy: -140.428
flat angles C4'-P-C4' energy: -141.726
flat angles P-C4'-P energy: -113.686
tors. eta vs tors. theta energy: -183.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1894.677317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.677317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.677317 (E_RNA)
where:
Base-Base interactions energy: -1267.116
where: short stacking energy: -552.836
Base-Backbone interact. energy: -2.048
local terms energy: -625.513018
where:
bonds (distance) C4'-P energy: -125.894
bonds (distance) P-C4' energy: -150.309
flat angles C4'-P-C4' energy: -127.797
flat angles P-C4'-P energy: -86.086
tors. eta vs tors. theta energy: -135.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1842.031382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.031382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.031382 (E_RNA)
where:
Base-Base interactions energy: -1212.447
where: short stacking energy: -535.694
Base-Backbone interact. energy: 1.620
local terms energy: -631.204277
where:
bonds (distance) C4'-P energy: -130.957
bonds (distance) P-C4' energy: -136.731
flat angles C4'-P-C4' energy: -150.081
flat angles P-C4'-P energy: -96.402
tors. eta vs tors. theta energy: -117.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1378.144160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.144160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.144160 (E_RNA)
where:
Base-Base interactions energy: -814.315
where: short stacking energy: -384.556
Base-Backbone interact. energy: 1.345
local terms energy: -565.173417
where:
bonds (distance) C4'-P energy: -123.285
bonds (distance) P-C4' energy: -156.858
flat angles C4'-P-C4' energy: -138.285
flat angles P-C4'-P energy: -72.419
tors. eta vs tors. theta energy: -74.327
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: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1093.842872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.842872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.842872 (E_RNA)
where:
Base-Base interactions energy: -623.388
where: short stacking energy: -324.362
Base-Backbone interact. energy: 4.982
local terms energy: -475.436842
where:
bonds (distance) C4'-P energy: -124.522
bonds (distance) P-C4' energy: -131.872
flat angles C4'-P-C4' energy: -131.757
flat angles P-C4'-P energy: -71.825
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -824.695470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.695470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.695470 (E_RNA)
where:
Base-Base interactions energy: -367.987
where: short stacking energy: -216.566
Base-Backbone interact. energy: -0.549
local terms energy: -456.159093
where:
bonds (distance) C4'-P energy: -123.983
bonds (distance) P-C4' energy: -142.982
flat angles C4'-P-C4' energy: -124.822
flat angles P-C4'-P energy: -72.475
tors. eta vs tors. theta energy: 8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2840.759438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.759438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.759438 (E_RNA)
where:
Base-Base interactions energy: -1983.382
where: short stacking energy: -824.458
Base-Backbone interact. energy: -6.113
local terms energy: -851.264892
where:
bonds (distance) C4'-P energy: -163.404
bonds (distance) P-C4' energy: -162.701
flat angles C4'-P-C4' energy: -177.213
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -233.676
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2729.823169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.823169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.823169 (E_RNA)
where:
Base-Base interactions energy: -1899.216
where: short stacking energy: -760.832
Base-Backbone interact. energy: -2.033
local terms energy: -828.573981
where:
bonds (distance) C4'-P energy: -158.844
bonds (distance) P-C4' energy: -170.419
flat angles C4'-P-C4' energy: -171.420
flat angles P-C4'-P energy: -105.920
tors. eta vs tors. theta energy: -221.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2513.631800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.631800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.631800 (E_RNA)
where:
Base-Base interactions energy: -1678.113
where: short stacking energy: -758.810
Base-Backbone interact. energy: -2.806
local terms energy: -832.713502
where:
bonds (distance) C4'-P energy: -145.178
bonds (distance) P-C4' energy: -164.485
flat angles C4'-P-C4' energy: -190.818
flat angles P-C4'-P energy: -124.053
tors. eta vs tors. theta energy: -208.181
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: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2351.382435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.382435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.382435 (E_RNA)
where:
Base-Base interactions energy: -1590.142
where: short stacking energy: -656.916
Base-Backbone interact. energy: 1.021
local terms energy: -762.262039
where:
bonds (distance) C4'-P energy: -151.686
bonds (distance) P-C4' energy: -161.157
flat angles C4'-P-C4' energy: -158.862
flat angles P-C4'-P energy: -95.188
tors. eta vs tors. theta energy: -195.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2135.473977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.473977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.473977 (E_RNA)
where:
Base-Base interactions energy: -1447.645
where: short stacking energy: -645.915
Base-Backbone interact. energy: -0.990
local terms energy: -686.838740
where:
bonds (distance) C4'-P energy: -125.859
bonds (distance) P-C4' energy: -156.082
flat angles C4'-P-C4' energy: -140.490
flat angles P-C4'-P energy: -88.944
tors. eta vs tors. theta energy: -175.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1835.048410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.048410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.048410 (E_RNA)
where:
Base-Base interactions energy: -1187.965
where: short stacking energy: -528.584
Base-Backbone interact. energy: 2.451
local terms energy: -649.535207
where:
bonds (distance) C4'-P energy: -137.881
bonds (distance) P-C4' energy: -160.836
flat angles C4'-P-C4' energy: -121.301
flat angles P-C4'-P energy: -105.509
tors. eta vs tors. theta energy: -124.009
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: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1815.129343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.129343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.129343 (E_RNA)
where:
Base-Base interactions energy: -1154.781
where: short stacking energy: -504.334
Base-Backbone interact. energy: -1.187
local terms energy: -659.161630
where:
bonds (distance) C4'-P energy: -132.134
bonds (distance) P-C4' energy: -149.866
flat angles C4'-P-C4' energy: -137.689
flat angles P-C4'-P energy: -98.978
tors. eta vs tors. theta energy: -140.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1351.110598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.110598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.110598 (E_RNA)
where:
Base-Base interactions energy: -832.223
where: short stacking energy: -389.163
Base-Backbone interact. energy: 0.430
local terms energy: -519.317063
where:
bonds (distance) C4'-P energy: -124.228
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -125.494
flat angles P-C4'-P energy: -83.265
tors. eta vs tors. theta energy: -56.139
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: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1115.318520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.318520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.318520 (E_RNA)
where:
Base-Base interactions energy: -571.862
where: short stacking energy: -314.858
Base-Backbone interact. energy: 2.310
local terms energy: -545.766318
where:
bonds (distance) C4'-P energy: -127.976
bonds (distance) P-C4' energy: -155.112
flat angles C4'-P-C4' energy: -116.003
flat angles P-C4'-P energy: -105.225
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -827.375793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.375793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.375793 (E_RNA)
where:
Base-Base interactions energy: -382.659
where: short stacking energy: -210.245
Base-Backbone interact. energy: -0.409
local terms energy: -444.308366
where:
bonds (distance) C4'-P energy: -125.735
bonds (distance) P-C4' energy: -149.562
flat angles C4'-P-C4' energy: -132.190
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: 19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2849.157977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.157977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.157977 (E_RNA)
where:
Base-Base interactions energy: -1995.368
where: short stacking energy: -794.619
Base-Backbone interact. energy: -3.582
local terms energy: -850.207134
where:
bonds (distance) C4'-P energy: -166.972
bonds (distance) P-C4' energy: -159.880
flat angles C4'-P-C4' energy: -179.331
flat angles P-C4'-P energy: -108.359
tors. eta vs tors. theta energy: -235.665
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: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2692.293474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.293474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.293474 (E_RNA)
where:
Base-Base interactions energy: -1854.491
where: short stacking energy: -770.349
Base-Backbone interact. energy: -3.106
local terms energy: -834.695740
where:
bonds (distance) C4'-P energy: -151.210
bonds (distance) P-C4' energy: -155.906
flat angles C4'-P-C4' energy: -193.770
flat angles P-C4'-P energy: -115.491
tors. eta vs tors. theta energy: -218.319
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2542.953436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.953436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.953436 (E_RNA)
where:
Base-Base interactions energy: -1723.017
where: short stacking energy: -748.037
Base-Backbone interact. energy: -2.918
local terms energy: -817.079567
where:
bonds (distance) C4'-P energy: -153.351
bonds (distance) P-C4' energy: -159.030
flat angles C4'-P-C4' energy: -179.091
flat angles P-C4'-P energy: -109.965
tors. eta vs tors. theta energy: -215.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2358.010916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.010916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.010916 (E_RNA)
where:
Base-Base interactions energy: -1575.174
where: short stacking energy: -710.293
Base-Backbone interact. energy: -2.005
local terms energy: -780.831848
where:
bonds (distance) C4'-P energy: -148.195
bonds (distance) P-C4' energy: -145.157
flat angles C4'-P-C4' energy: -169.413
flat angles P-C4'-P energy: -113.110
tors. eta vs tors. theta energy: -204.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2207.621856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.621856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.621856 (E_RNA)
where:
Base-Base interactions energy: -1474.024
where: short stacking energy: -659.380
Base-Backbone interact. energy: -1.047
local terms energy: -732.550328
where:
bonds (distance) C4'-P energy: -141.237
bonds (distance) P-C4' energy: -146.369
flat angles C4'-P-C4' energy: -153.814
flat angles P-C4'-P energy: -106.288
tors. eta vs tors. theta energy: -184.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1852.299243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.299243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.299243 (E_RNA)
where:
Base-Base interactions energy: -1201.571
where: short stacking energy: -554.077
Base-Backbone interact. energy: -1.798
local terms energy: -648.931064
where:
bonds (distance) C4'-P energy: -125.070
bonds (distance) P-C4' energy: -156.133
flat angles C4'-P-C4' energy: -144.280
flat angles P-C4'-P energy: -87.328
tors. eta vs tors. theta energy: -136.120
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: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1756.028078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.028078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.028078 (E_RNA)
where:
Base-Base interactions energy: -1117.759
where: short stacking energy: -503.852
Base-Backbone interact. energy: 1.804
local terms energy: -640.073464
where:
bonds (distance) C4'-P energy: -129.480
bonds (distance) P-C4' energy: -161.109
flat angles C4'-P-C4' energy: -135.240
flat angles P-C4'-P energy: -85.634
tors. eta vs tors. theta energy: -128.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1357.340343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.340343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.340343 (E_RNA)
where:
Base-Base interactions energy: -752.821
where: short stacking energy: -360.477
Base-Backbone interact. energy: -0.379
local terms energy: -604.139874
where:
bonds (distance) C4'-P energy: -153.267
bonds (distance) P-C4' energy: -161.009
flat angles C4'-P-C4' energy: -139.558
flat angles P-C4'-P energy: -76.233
tors. eta vs tors. theta energy: -74.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1045.362753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.362753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.362753 (E_RNA)
where:
Base-Base interactions energy: -561.931
where: short stacking energy: -283.468
Base-Backbone interact. energy: 4.181
local terms energy: -487.612527
where:
bonds (distance) C4'-P energy: -117.904
bonds (distance) P-C4' energy: -132.170
flat angles C4'-P-C4' energy: -129.018
flat angles P-C4'-P energy: -83.383
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -702.862249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.862249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.862249 (E_RNA)
where:
Base-Base interactions energy: -277.770
where: short stacking energy: -171.356
Base-Backbone interact. energy: -1.364
local terms energy: -423.728244
where:
bonds (distance) C4'-P energy: -113.206
bonds (distance) P-C4' energy: -137.712
flat angles C4'-P-C4' energy: -125.853
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: 24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2831.712478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.712478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.712478 (E_RNA)
where:
Base-Base interactions energy: -1964.555
where: short stacking energy: -794.338
Base-Backbone interact. energy: -0.940
local terms energy: -866.217233
where:
bonds (distance) C4'-P energy: -163.206
bonds (distance) P-C4' energy: -170.846
flat angles C4'-P-C4' energy: -185.483
flat angles P-C4'-P energy: -115.916
tors. eta vs tors. theta energy: -230.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2686.341752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.341752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.341752 (E_RNA)
where:
Base-Base interactions energy: -1880.779
where: short stacking energy: -747.841
Base-Backbone interact. energy: -5.260
local terms energy: -800.303225
where:
bonds (distance) C4'-P energy: -151.525
bonds (distance) P-C4' energy: -146.901
flat angles C4'-P-C4' energy: -170.138
flat angles P-C4'-P energy: -115.507
tors. eta vs tors. theta energy: -216.233
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2510.213751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.213751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.213751 (E_RNA)
where:
Base-Base interactions energy: -1710.272
where: short stacking energy: -728.079
Base-Backbone interact. energy: -4.877
local terms energy: -795.064726
where:
bonds (distance) C4'-P energy: -161.781
bonds (distance) P-C4' energy: -147.079
flat angles C4'-P-C4' energy: -170.015
flat angles P-C4'-P energy: -118.975
tors. eta vs tors. theta energy: -197.215
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: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2363.728571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.728571 (E_RNA)
where:
Base-Base interactions energy: -1577.159
where: short stacking energy: -698.664
Base-Backbone interact. energy: 2.460
local terms energy: -789.029235
where:
bonds (distance) C4'-P energy: -152.134
bonds (distance) P-C4' energy: -163.517
flat angles C4'-P-C4' energy: -171.390
flat angles P-C4'-P energy: -109.524
tors. eta vs tors. theta energy: -192.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2196.675212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.675212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.675212 (E_RNA)
where:
Base-Base interactions energy: -1485.931
where: short stacking energy: -671.965
Base-Backbone interact. energy: -1.158
local terms energy: -709.585941
where:
bonds (distance) C4'-P energy: -153.544
bonds (distance) P-C4' energy: -123.483
flat angles C4'-P-C4' energy: -155.268
flat angles P-C4'-P energy: -93.652
tors. eta vs tors. theta energy: -183.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1846.513348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.513348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.513348 (E_RNA)
where:
Base-Base interactions energy: -1177.015
where: short stacking energy: -531.794
Base-Backbone interact. energy: -2.359
local terms energy: -667.138914
where:
bonds (distance) C4'-P energy: -130.519
bonds (distance) P-C4' energy: -137.665
flat angles C4'-P-C4' energy: -159.690
flat angles P-C4'-P energy: -94.753
tors. eta vs tors. theta energy: -144.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1810.612365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.612365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.612365 (E_RNA)
where:
Base-Base interactions energy: -1172.955
where: short stacking energy: -531.314
Base-Backbone interact. energy: 1.213
local terms energy: -638.870691
where:
bonds (distance) C4'-P energy: -149.840
bonds (distance) P-C4' energy: -138.840
flat angles C4'-P-C4' energy: -135.979
flat angles P-C4'-P energy: -80.114
tors. eta vs tors. theta energy: -134.097
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: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1345.496219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.496219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.496219 (E_RNA)
where:
Base-Base interactions energy: -833.172
where: short stacking energy: -381.625
Base-Backbone interact. energy: -2.073
local terms energy: -510.251077
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -137.692
flat angles C4'-P-C4' energy: -160.706
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -47.594
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: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1123.029138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.029138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.029138 (E_RNA)
where:
Base-Base interactions energy: -625.486
where: short stacking energy: -291.721
Base-Backbone interact. energy: 3.917
local terms energy: -501.460362
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -128.724
flat angles C4'-P-C4' energy: -145.096
flat angles P-C4'-P energy: -75.380
tors. eta vs tors. theta energy: -36.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -747.410332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.410332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.410332 (E_RNA)
where:
Base-Base interactions energy: -327.444
where: short stacking energy: -185.204
Base-Backbone interact. energy: 1.909
local terms energy: -421.875387
where:
bonds (distance) C4'-P energy: -132.732
bonds (distance) P-C4' energy: -136.450
flat angles C4'-P-C4' energy: -127.922
flat angles P-C4'-P energy: -48.994
tors. eta vs tors. theta energy: 24.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2818.184238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.184238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.184238 (E_RNA)
where:
Base-Base interactions energy: -1974.089
where: short stacking energy: -798.960
Base-Backbone interact. energy: -3.396
local terms energy: -840.698631
where:
bonds (distance) C4'-P energy: -159.403
bonds (distance) P-C4' energy: -139.458
flat angles C4'-P-C4' energy: -192.732
flat angles P-C4'-P energy: -108.927
tors. eta vs tors. theta energy: -240.177
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2682.305878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.305878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.305878 (E_RNA)
where:
Base-Base interactions energy: -1849.563
where: short stacking energy: -791.450
Base-Backbone interact. energy: -5.896
local terms energy: -826.846362
where:
bonds (distance) C4'-P energy: -158.538
bonds (distance) P-C4' energy: -156.780
flat angles C4'-P-C4' energy: -175.672
flat angles P-C4'-P energy: -122.807
tors. eta vs tors. theta energy: -213.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2513.855641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.855641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.855641 (E_RNA)
where:
Base-Base interactions energy: -1702.804
where: short stacking energy: -744.600
Base-Backbone interact. energy: -2.610
local terms energy: -808.442500
where:
bonds (distance) C4'-P energy: -131.136
bonds (distance) P-C4' energy: -155.009
flat angles C4'-P-C4' energy: -189.943
flat angles P-C4'-P energy: -104.077
tors. eta vs tors. theta energy: -228.278
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: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2415.406972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.406972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.406972 (E_RNA)
where:
Base-Base interactions energy: -1657.244
where: short stacking energy: -710.391
Base-Backbone interact. energy: -0.844
local terms energy: -757.318450
where:
bonds (distance) C4'-P energy: -148.981
bonds (distance) P-C4' energy: -126.384
flat angles C4'-P-C4' energy: -167.196
flat angles P-C4'-P energy: -99.060
tors. eta vs tors. theta energy: -215.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2214.797377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.797377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.797377 (E_RNA)
where:
Base-Base interactions energy: -1478.623
where: short stacking energy: -624.061
Base-Backbone interact. energy: 2.758
local terms energy: -738.932348
where:
bonds (distance) C4'-P energy: -136.886
bonds (distance) P-C4' energy: -138.834
flat angles C4'-P-C4' energy: -172.841
flat angles P-C4'-P energy: -114.458
tors. eta vs tors. theta energy: -175.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1892.830455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.830455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.830455 (E_RNA)
where:
Base-Base interactions energy: -1191.703
where: short stacking energy: -556.739
Base-Backbone interact. energy: 1.591
local terms energy: -702.718038
where:
bonds (distance) C4'-P energy: -139.873
bonds (distance) P-C4' energy: -157.997
flat angles C4'-P-C4' energy: -154.845
flat angles P-C4'-P energy: -106.800
tors. eta vs tors. theta energy: -143.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1762.296600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.296600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.296600 (E_RNA)
where:
Base-Base interactions energy: -1122.190
where: short stacking energy: -500.572
Base-Backbone interact. energy: -0.921
local terms energy: -639.185358
where:
bonds (distance) C4'-P energy: -123.422
bonds (distance) P-C4' energy: -146.251
flat angles C4'-P-C4' energy: -135.235
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -139.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1334.145748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.145748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.145748 (E_RNA)
where:
Base-Base interactions energy: -791.403
where: short stacking energy: -379.190
Base-Backbone interact. energy: 3.475
local terms energy: -546.218028
where:
bonds (distance) C4'-P energy: -139.498
bonds (distance) P-C4' energy: -138.591
flat angles C4'-P-C4' energy: -120.912
flat angles P-C4'-P energy: -82.397
tors. eta vs tors. theta energy: -64.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1104.341870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.341870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.341870 (E_RNA)
where:
Base-Base interactions energy: -640.051
where: short stacking energy: -308.595
Base-Backbone interact. energy: 2.003
local terms energy: -466.293799
where:
bonds (distance) C4'-P energy: -128.506
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -108.387
flat angles P-C4'-P energy: -71.449
tors. eta vs tors. theta energy: -31.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -744.052294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.052294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.052294 (E_RNA)
where:
Base-Base interactions energy: -350.371
where: short stacking energy: -210.312
Base-Backbone interact. energy: -2.498
local terms energy: -391.183174
where:
bonds (distance) C4'-P energy: -121.286
bonds (distance) P-C4' energy: -129.144
flat angles C4'-P-C4' energy: -99.396
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: 18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2831.755928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.755928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.755928 (E_RNA)
where:
Base-Base interactions energy: -1967.614
where: short stacking energy: -787.584
Base-Backbone interact. energy: -1.601
local terms energy: -862.540951
where:
bonds (distance) C4'-P energy: -164.761
bonds (distance) P-C4' energy: -180.926
flat angles C4'-P-C4' energy: -176.797
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -222.395
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: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2667.882713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.882713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.882713 (E_RNA)
where:
Base-Base interactions energy: -1847.821
where: short stacking energy: -747.388
Base-Backbone interact. energy: -1.117
local terms energy: -818.944649
where:
bonds (distance) C4'-P energy: -161.718
bonds (distance) P-C4' energy: -150.150
flat angles C4'-P-C4' energy: -171.836
flat angles P-C4'-P energy: -120.836
tors. eta vs tors. theta energy: -214.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2517.872397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.872397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.872397 (E_RNA)
where:
Base-Base interactions energy: -1703.129
where: short stacking energy: -738.758
Base-Backbone interact. energy: -3.312
local terms energy: -811.431654
where:
bonds (distance) C4'-P energy: -154.518
bonds (distance) P-C4' energy: -141.596
flat angles C4'-P-C4' energy: -180.772
flat angles P-C4'-P energy: -115.333
tors. eta vs tors. theta energy: -219.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2435.552097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.552097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.552097 (E_RNA)
where:
Base-Base interactions energy: -1657.455
where: short stacking energy: -714.060
Base-Backbone interact. energy: -0.592
local terms energy: -778.032899
where:
bonds (distance) C4'-P energy: -152.771
bonds (distance) P-C4' energy: -139.118
flat angles C4'-P-C4' energy: -165.324
flat angles P-C4'-P energy: -118.548
tors. eta vs tors. theta energy: -202.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2243.028675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.028675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.028675 (E_RNA)
where:
Base-Base interactions energy: -1495.542
where: short stacking energy: -650.498
Base-Backbone interact. energy: -2.892
local terms energy: -744.594480
where:
bonds (distance) C4'-P energy: -154.456
bonds (distance) P-C4' energy: -141.886
flat angles C4'-P-C4' energy: -160.945
flat angles P-C4'-P energy: -99.897
tors. eta vs tors. theta energy: -187.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1886.162043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.162043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.162043 (E_RNA)
where:
Base-Base interactions energy: -1201.433
where: short stacking energy: -533.749
Base-Backbone interact. energy: -0.968
local terms energy: -683.760821
where:
bonds (distance) C4'-P energy: -140.340
bonds (distance) P-C4' energy: -133.663
flat angles C4'-P-C4' energy: -154.489
flat angles P-C4'-P energy: -112.542
tors. eta vs tors. theta energy: -142.728
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1732.124829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.124829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.124829 (E_RNA)
where:
Base-Base interactions energy: -1093.021
where: short stacking energy: -477.309
Base-Backbone interact. energy: 0.018
local terms energy: -639.121849
where:
bonds (distance) C4'-P energy: -138.358
bonds (distance) P-C4' energy: -146.032
flat angles C4'-P-C4' energy: -125.792
flat angles P-C4'-P energy: -105.932
tors. eta vs tors. theta energy: -123.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1296.017850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.017850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.017850 (E_RNA)
where:
Base-Base interactions energy: -781.528
where: short stacking energy: -368.856
Base-Backbone interact. energy: -1.782
local terms energy: -512.707918
where:
bonds (distance) C4'-P energy: -137.256
bonds (distance) P-C4' energy: -139.327
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -75.308
tors. eta vs tors. theta energy: -54.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1119.075692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.075692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.075692 (E_RNA)
where:
Base-Base interactions energy: -648.555
where: short stacking energy: -297.310
Base-Backbone interact. energy: 8.408
local terms energy: -478.929063
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -131.667
flat angles P-C4'-P energy: -80.787
tors. eta vs tors. theta energy: -17.646
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: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -773.314602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.314602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.314602 (E_RNA)
where:
Base-Base interactions energy: -356.017
where: short stacking energy: -205.710
Base-Backbone interact. energy: 7.017
local terms energy: -424.314093
where:
bonds (distance) C4'-P energy: -126.683
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -99.246
flat angles P-C4'-P energy: -80.155
tors. eta vs tors. theta energy: 11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2839.760614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.760614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.760614 (E_RNA)
where:
Base-Base interactions energy: -2004.579
where: short stacking energy: -819.147
Base-Backbone interact. energy: 0.997
local terms energy: -836.178040
where:
bonds (distance) C4'-P energy: -152.720
bonds (distance) P-C4' energy: -151.947
flat angles C4'-P-C4' energy: -174.216
flat angles P-C4'-P energy: -117.709
tors. eta vs tors. theta energy: -239.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2653.662777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.662777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.662777 (E_RNA)
where:
Base-Base interactions energy: -1850.402
where: short stacking energy: -750.033
Base-Backbone interact. energy: -1.633
local terms energy: -801.627759
where:
bonds (distance) C4'-P energy: -161.231
bonds (distance) P-C4' energy: -146.644
flat angles C4'-P-C4' energy: -163.221
flat angles P-C4'-P energy: -109.532
tors. eta vs tors. theta energy: -221.000
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2564.520823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.520823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.520823 (E_RNA)
where:
Base-Base interactions energy: -1752.766
where: short stacking energy: -761.292
Base-Backbone interact. energy: -3.487
local terms energy: -808.267750
where:
bonds (distance) C4'-P energy: -147.830
bonds (distance) P-C4' energy: -147.660
flat angles C4'-P-C4' energy: -178.369
flat angles P-C4'-P energy: -107.752
tors. eta vs tors. theta energy: -226.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2442.640117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.640117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.640117 (E_RNA)
where:
Base-Base interactions energy: -1623.728
where: short stacking energy: -697.381
Base-Backbone interact. energy: -2.408
local terms energy: -816.504215
where:
bonds (distance) C4'-P energy: -152.246
bonds (distance) P-C4' energy: -144.359
flat angles C4'-P-C4' energy: -183.145
flat angles P-C4'-P energy: -121.908
tors. eta vs tors. theta energy: -214.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2220.963303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.963303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.963303 (E_RNA)
where:
Base-Base interactions energy: -1487.976
where: short stacking energy: -627.652
Base-Backbone interact. energy: -3.441
local terms energy: -729.546458
where:
bonds (distance) C4'-P energy: -127.665
bonds (distance) P-C4' energy: -148.011
flat angles C4'-P-C4' energy: -158.804
flat angles P-C4'-P energy: -111.937
tors. eta vs tors. theta energy: -183.130
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: 447
Temperature: 1.150000
Total energy: -1874.566282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.566282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.566282 (E_RNA)
where:
Base-Base interactions energy: -1215.887
where: short stacking energy: -561.769
Base-Backbone interact. energy: -0.307
local terms energy: -658.372185
where:
bonds (distance) C4'-P energy: -130.827
bonds (distance) P-C4' energy: -155.720
flat angles C4'-P-C4' energy: -141.532
flat angles P-C4'-P energy: -101.238
tors. eta vs tors. theta energy: -129.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1726.302522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.302522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.302522 (E_RNA)
where:
Base-Base interactions energy: -1091.805
where: short stacking energy: -500.192
Base-Backbone interact. energy: -2.351
local terms energy: -632.146640
where:
bonds (distance) C4'-P energy: -110.385
bonds (distance) P-C4' energy: -150.540
flat angles C4'-P-C4' energy: -151.439
flat angles P-C4'-P energy: -102.712
tors. eta vs tors. theta energy: -117.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1339.482640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.482640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.482640 (E_RNA)
where:
Base-Base interactions energy: -796.927
where: short stacking energy: -359.656
Base-Backbone interact. energy: -3.292
local terms energy: -539.263524
where:
bonds (distance) C4'-P energy: -130.361
bonds (distance) P-C4' energy: -131.621
flat angles C4'-P-C4' energy: -131.359
flat angles P-C4'-P energy: -93.165
tors. eta vs tors. theta energy: -52.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1173.164721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.164721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.164721 (E_RNA)
where:
Base-Base interactions energy: -674.978
where: short stacking energy: -346.956
Base-Backbone interact. energy: -1.976
local terms energy: -496.210467
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -129.250
flat angles C4'-P-C4' energy: -125.423
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -48.162
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: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -913.186936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.186936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.186936 (E_RNA)
where:
Base-Base interactions energy: -445.565
where: short stacking energy: -237.615
Base-Backbone interact. energy: 5.135
local terms energy: -472.757380
where:
bonds (distance) C4'-P energy: -124.166
bonds (distance) P-C4' energy: -164.226
flat angles C4'-P-C4' energy: -119.752
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -1.471
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: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2840.725322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.725322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.725322 (E_RNA)
where:
Base-Base interactions energy: -1970.825
where: short stacking energy: -829.731
Base-Backbone interact. energy: -3.285
local terms energy: -866.614811
where:
bonds (distance) C4'-P energy: -160.392
bonds (distance) P-C4' energy: -164.123
flat angles C4'-P-C4' energy: -195.643
flat angles P-C4'-P energy: -118.689
tors. eta vs tors. theta energy: -227.768
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: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2643.408338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.408338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.408338 (E_RNA)
where:
Base-Base interactions energy: -1809.218
where: short stacking energy: -761.151
Base-Backbone interact. energy: -6.303
local terms energy: -827.886985
where:
bonds (distance) C4'-P energy: -155.771
bonds (distance) P-C4' energy: -148.627
flat angles C4'-P-C4' energy: -181.797
flat angles P-C4'-P energy: -128.580
tors. eta vs tors. theta energy: -213.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2619.615060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.615060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.615060 (E_RNA)
where:
Base-Base interactions energy: -1801.309
where: short stacking energy: -766.525
Base-Backbone interact. energy: -2.624
local terms energy: -815.681727
where:
bonds (distance) C4'-P energy: -157.856
bonds (distance) P-C4' energy: -154.050
flat angles C4'-P-C4' energy: -165.570
flat angles P-C4'-P energy: -116.521
tors. eta vs tors. theta energy: -221.685
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: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2444.125158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.125158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.125158 (E_RNA)
where:
Base-Base interactions energy: -1652.257
where: short stacking energy: -712.413
Base-Backbone interact. energy: 1.356
local terms energy: -793.224471
where:
bonds (distance) C4'-P energy: -161.654
bonds (distance) P-C4' energy: -142.926
flat angles C4'-P-C4' energy: -174.211
flat angles P-C4'-P energy: -110.739
tors. eta vs tors. theta energy: -203.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2244.887675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.887675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.887675 (E_RNA)
where:
Base-Base interactions energy: -1502.779
where: short stacking energy: -657.052
Base-Backbone interact. energy: -1.667
local terms energy: -740.441555
where:
bonds (distance) C4'-P energy: -147.941
bonds (distance) P-C4' energy: -148.323
flat angles C4'-P-C4' energy: -159.125
flat angles P-C4'-P energy: -101.232
tors. eta vs tors. theta energy: -183.820
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1883.367068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.367068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.367068 (E_RNA)
where:
Base-Base interactions energy: -1216.973
where: short stacking energy: -582.365
Base-Backbone interact. energy: -0.635
local terms energy: -665.758658
where:
bonds (distance) C4'-P energy: -128.526
bonds (distance) P-C4' energy: -141.459
flat angles C4'-P-C4' energy: -148.338
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -165.475
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: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1683.368227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.368227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.368227 (E_RNA)
where:
Base-Base interactions energy: -1053.005
where: short stacking energy: -485.094
Base-Backbone interact. energy: -2.081
local terms energy: -628.281540
where:
bonds (distance) C4'-P energy: -145.430
bonds (distance) P-C4' energy: -142.248
flat angles C4'-P-C4' energy: -143.697
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -107.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1353.883034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.883034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.883034 (E_RNA)
where:
Base-Base interactions energy: -784.572
where: short stacking energy: -393.368
Base-Backbone interact. energy: -0.116
local terms energy: -569.195188
where:
bonds (distance) C4'-P energy: -136.929
bonds (distance) P-C4' energy: -135.647
flat angles C4'-P-C4' energy: -144.228
flat angles P-C4'-P energy: -86.949
tors. eta vs tors. theta energy: -65.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1172.002189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.002189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.002189 (E_RNA)
where:
Base-Base interactions energy: -703.854
where: short stacking energy: -349.401
Base-Backbone interact. energy: -3.108
local terms energy: -465.039914
where:
bonds (distance) C4'-P energy: -129.497
bonds (distance) P-C4' energy: -116.502
flat angles C4'-P-C4' energy: -126.200
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -824.491130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.491130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.491130 (E_RNA)
where:
Base-Base interactions energy: -385.076
where: short stacking energy: -202.334
Base-Backbone interact. energy: -3.969
local terms energy: -435.445920
where:
bonds (distance) C4'-P energy: -118.554
bonds (distance) P-C4' energy: -156.420
flat angles C4'-P-C4' energy: -119.577
flat angles P-C4'-P energy: -68.775
tors. eta vs tors. theta energy: 27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2844.136670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.136670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.136670 (E_RNA)
where:
Base-Base interactions energy: -1984.669
where: short stacking energy: -819.182
Base-Backbone interact. energy: -1.555
local terms energy: -857.913335
where:
bonds (distance) C4'-P energy: -162.788
bonds (distance) P-C4' energy: -162.614
flat angles C4'-P-C4' energy: -184.051
flat angles P-C4'-P energy: -111.413
tors. eta vs tors. theta energy: -237.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2666.137135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.137135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.137135 (E_RNA)
where:
Base-Base interactions energy: -1844.796
where: short stacking energy: -768.279
Base-Backbone interact. energy: -3.131
local terms energy: -818.209627
where:
bonds (distance) C4'-P energy: -158.229
bonds (distance) P-C4' energy: -153.159
flat angles C4'-P-C4' energy: -180.487
flat angles P-C4'-P energy: -112.366
tors. eta vs tors. theta energy: -213.968
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: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2550.975990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.975990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.975990 (E_RNA)
where:
Base-Base interactions energy: -1767.456
where: short stacking energy: -758.914
Base-Backbone interact. energy: -3.440
local terms energy: -780.080461
where:
bonds (distance) C4'-P energy: -158.086
bonds (distance) P-C4' energy: -139.326
flat angles C4'-P-C4' energy: -171.019
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: -218.640
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: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2402.882175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.882175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.882175 (E_RNA)
where:
Base-Base interactions energy: -1620.282
where: short stacking energy: -680.370
Base-Backbone interact. energy: -1.123
local terms energy: -781.476360
where:
bonds (distance) C4'-P energy: -152.835
bonds (distance) P-C4' energy: -158.564
flat angles C4'-P-C4' energy: -168.034
flat angles P-C4'-P energy: -104.165
tors. eta vs tors. theta energy: -197.879
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: 449
Temperature: 1.100000
Total energy: -2247.408594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.408594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.408594 (E_RNA)
where:
Base-Base interactions energy: -1504.861
where: short stacking energy: -673.068
Base-Backbone interact. energy: -0.488
local terms energy: -742.059534
where:
bonds (distance) C4'-P energy: -144.873
bonds (distance) P-C4' energy: -129.957
flat angles C4'-P-C4' energy: -171.491
flat angles P-C4'-P energy: -107.991
tors. eta vs tors. theta energy: -187.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1920.538161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.538161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.538161 (E_RNA)
where:
Base-Base interactions energy: -1268.585
where: short stacking energy: -549.583
Base-Backbone interact. energy: -0.155
local terms energy: -651.798746
where:
bonds (distance) C4'-P energy: -118.539
bonds (distance) P-C4' energy: -128.567
flat angles C4'-P-C4' energy: -154.465
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -149.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1726.106983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.106983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.106983 (E_RNA)
where:
Base-Base interactions energy: -1119.708
where: short stacking energy: -504.374
Base-Backbone interact. energy: 2.948
local terms energy: -609.347091
where:
bonds (distance) C4'-P energy: -135.709
bonds (distance) P-C4' energy: -130.836
flat angles C4'-P-C4' energy: -152.427
flat angles P-C4'-P energy: -80.246
tors. eta vs tors. theta energy: -110.128
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1303.162644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.162644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.162644 (E_RNA)
where:
Base-Base interactions energy: -777.561
where: short stacking energy: -366.450
Base-Backbone interact. energy: -0.851
local terms energy: -524.750144
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -155.079
flat angles C4'-P-C4' energy: -128.642
flat angles P-C4'-P energy: -82.902
tors. eta vs tors. theta energy: -40.756
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: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1145.045254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.045254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.045254 (E_RNA)
where:
Base-Base interactions energy: -671.967
where: short stacking energy: -318.085
Base-Backbone interact. energy: 2.650
local terms energy: -475.728815
where:
bonds (distance) C4'-P energy: -120.370
bonds (distance) P-C4' energy: -153.795
flat angles C4'-P-C4' energy: -116.655
flat angles P-C4'-P energy: -74.055
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -721.335471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.335471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.335471 (E_RNA)
where:
Base-Base interactions energy: -313.284
where: short stacking energy: -187.802
Base-Backbone interact. energy: 2.109
local terms energy: -410.160712
where:
bonds (distance) C4'-P energy: -129.586
bonds (distance) P-C4' energy: -141.001
flat angles C4'-P-C4' energy: -93.846
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: 13.118
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: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2835.159421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.159421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.159421 (E_RNA)
where:
Base-Base interactions energy: -1953.741
where: short stacking energy: -808.479
Base-Backbone interact. energy: -1.972
local terms energy: -879.446749
where:
bonds (distance) C4'-P energy: -164.432
bonds (distance) P-C4' energy: -179.704
flat angles C4'-P-C4' energy: -186.768
flat angles P-C4'-P energy: -120.087
tors. eta vs tors. theta energy: -228.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2628.349258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.349258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.349258 (E_RNA)
where:
Base-Base interactions energy: -1836.972
where: short stacking energy: -771.031
Base-Backbone interact. energy: 0.192
local terms energy: -791.569271
where:
bonds (distance) C4'-P energy: -133.702
bonds (distance) P-C4' energy: -150.292
flat angles C4'-P-C4' energy: -179.631
flat angles P-C4'-P energy: -107.833
tors. eta vs tors. theta energy: -220.111
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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2556.640652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.640652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.640652 (E_RNA)
where:
Base-Base interactions energy: -1769.667
where: short stacking energy: -745.895
Base-Backbone interact. energy: -0.386
local terms energy: -786.586697
where:
bonds (distance) C4'-P energy: -141.892
bonds (distance) P-C4' energy: -160.132
flat angles C4'-P-C4' energy: -175.178
flat angles P-C4'-P energy: -102.068
tors. eta vs tors. theta energy: -207.317
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: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2353.506343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.506343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.506343 (E_RNA)
where:
Base-Base interactions energy: -1586.984
where: short stacking energy: -657.155
Base-Backbone interact. energy: 0.634
local terms energy: -767.156332
where:
bonds (distance) C4'-P energy: -145.660
bonds (distance) P-C4' energy: -164.965
flat angles C4'-P-C4' energy: -164.682
flat angles P-C4'-P energy: -102.111
tors. eta vs tors. theta energy: -189.738
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: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2292.927829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.927829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.927829 (E_RNA)
where:
Base-Base interactions energy: -1520.927
where: short stacking energy: -662.165
Base-Backbone interact. energy: -3.522
local terms energy: -768.478859
where:
bonds (distance) C4'-P energy: -163.576
bonds (distance) P-C4' energy: -149.658
flat angles C4'-P-C4' energy: -159.497
flat angles P-C4'-P energy: -98.056
tors. eta vs tors. theta energy: -197.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1929.154571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.154571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.154571 (E_RNA)
where:
Base-Base interactions energy: -1277.046
where: short stacking energy: -564.286
Base-Backbone interact. energy: -2.486
local terms energy: -649.623228
where:
bonds (distance) C4'-P energy: -129.432
bonds (distance) P-C4' energy: -134.812
flat angles C4'-P-C4' energy: -149.568
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -160.056
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1766.442335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.442335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.442335 (E_RNA)
where:
Base-Base interactions energy: -1117.573
where: short stacking energy: -531.049
Base-Backbone interact. energy: -5.253
local terms energy: -643.616154
where:
bonds (distance) C4'-P energy: -133.686
bonds (distance) P-C4' energy: -123.230
flat angles C4'-P-C4' energy: -164.282
flat angles P-C4'-P energy: -98.888
tors. eta vs tors. theta energy: -123.529
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: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1305.651172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.651172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.651172 (E_RNA)
where:
Base-Base interactions energy: -803.220
where: short stacking energy: -354.876
Base-Backbone interact. energy: -1.587
local terms energy: -500.844295
where:
bonds (distance) C4'-P energy: -117.193
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -112.003
flat angles P-C4'-P energy: -90.669
tors. eta vs tors. theta energy: -46.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1204.569269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.569269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.569269 (E_RNA)
where:
Base-Base interactions energy: -710.580
where: short stacking energy: -337.015
Base-Backbone interact. energy: -5.360
local terms energy: -488.628515
where:
bonds (distance) C4'-P energy: -118.804
bonds (distance) P-C4' energy: -129.432
flat angles C4'-P-C4' energy: -119.995
flat angles P-C4'-P energy: -69.773
tors. eta vs tors. theta energy: -50.624
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: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -722.617368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.617368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.617368 (E_RNA)
where:
Base-Base interactions energy: -329.970
where: short stacking energy: -221.629
Base-Backbone interact. energy: -1.121
local terms energy: -391.526442
where:
bonds (distance) C4'-P energy: -117.398
bonds (distance) P-C4' energy: -150.856
flat angles C4'-P-C4' energy: -101.507
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: 15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2809.803593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.803593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.803593 (E_RNA)
where:
Base-Base interactions energy: -1945.753
where: short stacking energy: -782.193
Base-Backbone interact. energy: -5.879
local terms energy: -858.171540
where:
bonds (distance) C4'-P energy: -155.372
bonds (distance) P-C4' energy: -164.488
flat angles C4'-P-C4' energy: -187.683
flat angles P-C4'-P energy: -119.980
tors. eta vs tors. theta energy: -230.648
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: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2648.920440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.920440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.920440 (E_RNA)
where:
Base-Base interactions energy: -1868.999
where: short stacking energy: -761.842
Base-Backbone interact. energy: -0.544
local terms energy: -779.377636
where:
bonds (distance) C4'-P energy: -150.271
bonds (distance) P-C4' energy: -142.594
flat angles C4'-P-C4' energy: -163.253
flat angles P-C4'-P energy: -107.827
tors. eta vs tors. theta energy: -215.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2578.140538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.140538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.140538 (E_RNA)
where:
Base-Base interactions energy: -1784.193
where: short stacking energy: -762.297
Base-Backbone interact. energy: -1.378
local terms energy: -792.569282
where:
bonds (distance) C4'-P energy: -148.474
bonds (distance) P-C4' energy: -136.722
flat angles C4'-P-C4' energy: -183.770
flat angles P-C4'-P energy: -100.338
tors. eta vs tors. theta energy: -223.264
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2393.986031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.986031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.986031 (E_RNA)
where:
Base-Base interactions energy: -1632.298
where: short stacking energy: -673.090
Base-Backbone interact. energy: -2.680
local terms energy: -759.008147
where:
bonds (distance) C4'-P energy: -127.920
bonds (distance) P-C4' energy: -160.643
flat angles C4'-P-C4' energy: -176.761
flat angles P-C4'-P energy: -99.061
tors. eta vs tors. theta energy: -194.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2313.989111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.989111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.989111 (E_RNA)
where:
Base-Base interactions energy: -1542.290
where: short stacking energy: -682.860
Base-Backbone interact. energy: -1.037
local terms energy: -770.661940
where:
bonds (distance) C4'-P energy: -134.426
bonds (distance) P-C4' energy: -151.818
flat angles C4'-P-C4' energy: -173.098
flat angles P-C4'-P energy: -109.903
tors. eta vs tors. theta energy: -201.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1954.740547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.740547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.740547 (E_RNA)
where:
Base-Base interactions energy: -1307.595
where: short stacking energy: -583.235
Base-Backbone interact. energy: -1.916
local terms energy: -645.229375
where:
bonds (distance) C4'-P energy: -144.439
bonds (distance) P-C4' energy: -127.588
flat angles C4'-P-C4' energy: -149.314
flat angles P-C4'-P energy: -76.681
tors. eta vs tors. theta energy: -147.206
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1812.590612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.590612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.590612 (E_RNA)
where:
Base-Base interactions energy: -1163.827
where: short stacking energy: -513.663
Base-Backbone interact. energy: 1.260
local terms energy: -650.023688
where:
bonds (distance) C4'-P energy: -132.868
bonds (distance) P-C4' energy: -157.172
flat angles C4'-P-C4' energy: -135.602
flat angles P-C4'-P energy: -92.484
tors. eta vs tors. theta energy: -131.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1330.405726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.405726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.405726 (E_RNA)
where:
Base-Base interactions energy: -802.647
where: short stacking energy: -374.790
Base-Backbone interact. energy: 0.111
local terms energy: -527.869705
where:
bonds (distance) C4'-P energy: -136.993
bonds (distance) P-C4' energy: -147.781
flat angles C4'-P-C4' energy: -120.061
flat angles P-C4'-P energy: -73.945
tors. eta vs tors. theta energy: -49.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1081.077063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.077063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.077063 (E_RNA)
where:
Base-Base interactions energy: -620.795
where: short stacking energy: -304.255
Base-Backbone interact. energy: 1.186
local terms energy: -461.467962
where:
bonds (distance) C4'-P energy: -125.982
bonds (distance) P-C4' energy: -132.303
flat angles C4'-P-C4' energy: -111.352
flat angles P-C4'-P energy: -73.889
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -760.116404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.116404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.116404 (E_RNA)
where:
Base-Base interactions energy: -353.250
where: short stacking energy: -219.685
Base-Backbone interact. energy: 3.689
local terms energy: -410.555105
where:
bonds (distance) C4'-P energy: -119.173
bonds (distance) P-C4' energy: -131.725
flat angles C4'-P-C4' energy: -112.899
flat angles P-C4'-P energy: -66.952
tors. eta vs tors. theta energy: 20.194
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2811.569666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.569666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.569666 (E_RNA)
where:
Base-Base interactions energy: -1974.013
where: short stacking energy: -791.126
Base-Backbone interact. energy: -2.588
local terms energy: -834.968632
where:
bonds (distance) C4'-P energy: -150.493
bonds (distance) P-C4' energy: -160.747
flat angles C4'-P-C4' energy: -182.904
flat angles P-C4'-P energy: -123.561
tors. eta vs tors. theta energy: -217.263
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: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2660.809332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.809332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.809332 (E_RNA)
where:
Base-Base interactions energy: -1871.954
where: short stacking energy: -765.942
Base-Backbone interact. energy: 1.180
local terms energy: -790.035071
where:
bonds (distance) C4'-P energy: -148.374
bonds (distance) P-C4' energy: -166.548
flat angles C4'-P-C4' energy: -164.045
flat angles P-C4'-P energy: -98.886
tors. eta vs tors. theta energy: -212.183
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: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2527.292384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.292384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.292384 (E_RNA)
where:
Base-Base interactions energy: -1722.408
where: short stacking energy: -733.863
Base-Backbone interact. energy: 2.565
local terms energy: -807.448684
where:
bonds (distance) C4'-P energy: -150.823
bonds (distance) P-C4' energy: -154.703
flat angles C4'-P-C4' energy: -171.614
flat angles P-C4'-P energy: -124.698
tors. eta vs tors. theta energy: -205.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2417.177739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.177739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.177739 (E_RNA)
where:
Base-Base interactions energy: -1639.033
where: short stacking energy: -700.104
Base-Backbone interact. energy: -0.457
local terms energy: -777.688227
where:
bonds (distance) C4'-P energy: -136.705
bonds (distance) P-C4' energy: -156.512
flat angles C4'-P-C4' energy: -174.217
flat angles P-C4'-P energy: -107.949
tors. eta vs tors. theta energy: -202.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2258.349218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.349218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.349218 (E_RNA)
where:
Base-Base interactions energy: -1505.834
where: short stacking energy: -669.160
Base-Backbone interact. energy: -2.323
local terms energy: -750.192166
where:
bonds (distance) C4'-P energy: -141.643
bonds (distance) P-C4' energy: -152.673
flat angles C4'-P-C4' energy: -152.887
flat angles P-C4'-P energy: -114.247
tors. eta vs tors. theta energy: -188.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2054.178786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.178786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.178786 (E_RNA)
where:
Base-Base interactions energy: -1359.758
where: short stacking energy: -590.976
Base-Backbone interact. energy: 1.546
local terms energy: -695.966199
where:
bonds (distance) C4'-P energy: -142.880
bonds (distance) P-C4' energy: -140.870
flat angles C4'-P-C4' energy: -148.433
flat angles P-C4'-P energy: -101.730
tors. eta vs tors. theta energy: -162.054
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: 452
Temperature: 1.200000
Total energy: -1804.568522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.568522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.568522 (E_RNA)
where:
Base-Base interactions energy: -1176.065
where: short stacking energy: -514.114
Base-Backbone interact. energy: -2.333
local terms energy: -626.171030
where:
bonds (distance) C4'-P energy: -128.463
bonds (distance) P-C4' energy: -136.205
flat angles C4'-P-C4' energy: -154.611
flat angles P-C4'-P energy: -81.363
tors. eta vs tors. theta energy: -125.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1416.609182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.609182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.609182 (E_RNA)
where:
Base-Base interactions energy: -890.725
where: short stacking energy: -399.085
Base-Backbone interact. energy: 3.510
local terms energy: -529.394664
where:
bonds (distance) C4'-P energy: -128.655
bonds (distance) P-C4' energy: -110.774
flat angles C4'-P-C4' energy: -145.744
flat angles P-C4'-P energy: -70.304
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1055.541546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.541546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.541546 (E_RNA)
where:
Base-Base interactions energy: -578.119
where: short stacking energy: -304.490
Base-Backbone interact. energy: -0.033
local terms energy: -477.389574
where:
bonds (distance) C4'-P energy: -119.211
bonds (distance) P-C4' energy: -124.642
flat angles C4'-P-C4' energy: -127.026
flat angles P-C4'-P energy: -89.400
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: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -737.951706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.951706 (E_RNA)
where:
Base-Base interactions energy: -312.539
where: short stacking energy: -188.010
Base-Backbone interact. energy: 7.213
local terms energy: -432.625786
where:
bonds (distance) C4'-P energy: -128.177
bonds (distance) P-C4' energy: -134.707
flat angles C4'-P-C4' energy: -126.976
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: 27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2832.940339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.940339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.940339 (E_RNA)
where:
Base-Base interactions energy: -1979.758
where: short stacking energy: -819.085
Base-Backbone interact. energy: -1.866
local terms energy: -851.315694
where:
bonds (distance) C4'-P energy: -150.992
bonds (distance) P-C4' energy: -163.596
flat angles C4'-P-C4' energy: -184.660
flat angles P-C4'-P energy: -119.096
tors. eta vs tors. theta energy: -232.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2641.029057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.029057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.029057 (E_RNA)
where:
Base-Base interactions energy: -1810.165
where: short stacking energy: -757.103
Base-Backbone interact. energy: -1.581
local terms energy: -829.283310
where:
bonds (distance) C4'-P energy: -143.690
bonds (distance) P-C4' energy: -168.916
flat angles C4'-P-C4' energy: -170.881
flat angles P-C4'-P energy: -130.203
tors. eta vs tors. theta energy: -215.594
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: 453
Temperature: 1.000000
Total energy: -2528.337702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.337702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.337702 (E_RNA)
where:
Base-Base interactions energy: -1744.548
where: short stacking energy: -726.600
Base-Backbone interact. energy: -0.744
local terms energy: -783.045575
where:
bonds (distance) C4'-P energy: -123.568
bonds (distance) P-C4' energy: -162.378
flat angles C4'-P-C4' energy: -177.819
flat angles P-C4'-P energy: -118.659
tors. eta vs tors. theta energy: -200.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2403.604412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.604412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.604412 (E_RNA)
where:
Base-Base interactions energy: -1612.267
where: short stacking energy: -679.784
Base-Backbone interact. energy: -0.760
local terms energy: -790.577440
where:
bonds (distance) C4'-P energy: -151.456
bonds (distance) P-C4' energy: -170.017
flat angles C4'-P-C4' energy: -173.147
flat angles P-C4'-P energy: -103.761
tors. eta vs tors. theta energy: -192.196
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: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2219.147948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.147948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.147948 (E_RNA)
where:
Base-Base interactions energy: -1469.622
where: short stacking energy: -677.372
Base-Backbone interact. energy: 3.678
local terms energy: -753.203960
where:
bonds (distance) C4'-P energy: -143.784
bonds (distance) P-C4' energy: -147.059
flat angles C4'-P-C4' energy: -160.461
flat angles P-C4'-P energy: -93.587
tors. eta vs tors. theta energy: -208.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2055.544377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.544377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.544377 (E_RNA)
where:
Base-Base interactions energy: -1376.995
where: short stacking energy: -597.166
Base-Backbone interact. energy: 3.365
local terms energy: -681.914386
where:
bonds (distance) C4'-P energy: -118.882
bonds (distance) P-C4' energy: -154.332
flat angles C4'-P-C4' energy: -144.099
flat angles P-C4'-P energy: -100.619
tors. eta vs tors. theta energy: -163.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1723.350758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.350758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.350758 (E_RNA)
where:
Base-Base interactions energy: -1092.366
where: short stacking energy: -502.053
Base-Backbone interact. energy: 4.088
local terms energy: -635.072428
where:
bonds (distance) C4'-P energy: -135.901
bonds (distance) P-C4' energy: -140.753
flat angles C4'-P-C4' energy: -152.380
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -123.814
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1349.449799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.449799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.449799 (E_RNA)
where:
Base-Base interactions energy: -788.422
where: short stacking energy: -375.494
Base-Backbone interact. energy: -0.982
local terms energy: -560.045701
where:
bonds (distance) C4'-P energy: -145.843
bonds (distance) P-C4' energy: -142.963
flat angles C4'-P-C4' energy: -130.287
flat angles P-C4'-P energy: -84.387
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: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1083.973935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.973935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.973935 (E_RNA)
where:
Base-Base interactions energy: -610.137
where: short stacking energy: -296.300
Base-Backbone interact. energy: 2.228
local terms energy: -476.064595
where:
bonds (distance) C4'-P energy: -133.970
bonds (distance) P-C4' energy: -126.034
flat angles C4'-P-C4' energy: -124.495
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -769.774343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.774343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.774343 (E_RNA)
where:
Base-Base interactions energy: -360.396
where: short stacking energy: -236.979
Base-Backbone interact. energy: 7.559
local terms energy: -416.937240
where:
bonds (distance) C4'-P energy: -130.597
bonds (distance) P-C4' energy: -138.748
flat angles C4'-P-C4' energy: -104.659
flat angles P-C4'-P energy: -65.364
tors. eta vs tors. theta energy: 22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2810.845656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.845656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.845656 (E_RNA)
where:
Base-Base interactions energy: -1968.540
where: short stacking energy: -798.635
Base-Backbone interact. energy: -1.774
local terms energy: -840.531469
where:
bonds (distance) C4'-P energy: -146.488
bonds (distance) P-C4' energy: -173.826
flat angles C4'-P-C4' energy: -181.412
flat angles P-C4'-P energy: -110.943
tors. eta vs tors. theta energy: -227.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2658.274588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.274588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.274588 (E_RNA)
where:
Base-Base interactions energy: -1842.282
where: short stacking energy: -736.548
Base-Backbone interact. energy: -5.712
local terms energy: -810.280521
where:
bonds (distance) C4'-P energy: -156.177
bonds (distance) P-C4' energy: -142.949
flat angles C4'-P-C4' energy: -170.185
flat angles P-C4'-P energy: -127.490
tors. eta vs tors. theta energy: -213.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2584.709637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.709637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.709637 (E_RNA)
where:
Base-Base interactions energy: -1741.237
where: short stacking energy: -769.461
Base-Backbone interact. energy: -1.848
local terms energy: -841.624280
where:
bonds (distance) C4'-P energy: -153.991
bonds (distance) P-C4' energy: -166.036
flat angles C4'-P-C4' energy: -189.421
flat angles P-C4'-P energy: -111.860
tors. eta vs tors. theta energy: -220.316
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2330.482647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.482647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.482647 (E_RNA)
where:
Base-Base interactions energy: -1543.732
where: short stacking energy: -655.456
Base-Backbone interact. energy: -2.099
local terms energy: -784.651569
where:
bonds (distance) C4'-P energy: -157.947
bonds (distance) P-C4' energy: -150.097
flat angles C4'-P-C4' energy: -170.449
flat angles P-C4'-P energy: -118.579
tors. eta vs tors. theta energy: -187.580
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: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2181.060379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.060379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.060379 (E_RNA)
where:
Base-Base interactions energy: -1432.945
where: short stacking energy: -624.336
Base-Backbone interact. energy: -1.473
local terms energy: -746.642642
where:
bonds (distance) C4'-P energy: -146.905
bonds (distance) P-C4' energy: -152.660
flat angles C4'-P-C4' energy: -160.388
flat angles P-C4'-P energy: -103.068
tors. eta vs tors. theta energy: -183.620
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: 454
Temperature: 1.150000
Total energy: -2019.322172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.322172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.322172 (E_RNA)
where:
Base-Base interactions energy: -1321.103
where: short stacking energy: -572.100
Base-Backbone interact. energy: 2.014
local terms energy: -700.232742
where:
bonds (distance) C4'-P energy: -139.300
bonds (distance) P-C4' energy: -150.600
flat angles C4'-P-C4' energy: -154.818
flat angles P-C4'-P energy: -104.865
tors. eta vs tors. theta energy: -150.650
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: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1653.039823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.039823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.039823 (E_RNA)
where:
Base-Base interactions energy: -1054.765
where: short stacking energy: -453.611
Base-Backbone interact. energy: -3.758
local terms energy: -594.516578
where:
bonds (distance) C4'-P energy: -143.898
bonds (distance) P-C4' energy: -124.463
flat angles C4'-P-C4' energy: -133.165
flat angles P-C4'-P energy: -98.056
tors. eta vs tors. theta energy: -94.934
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: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1352.727557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.727557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.727557 (E_RNA)
where:
Base-Base interactions energy: -804.878
where: short stacking energy: -384.005
Base-Backbone interact. energy: -0.028
local terms energy: -547.821417
where:
bonds (distance) C4'-P energy: -137.436
bonds (distance) P-C4' energy: -145.018
flat angles C4'-P-C4' energy: -125.831
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -67.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1088.061194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.061194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.061194 (E_RNA)
where:
Base-Base interactions energy: -628.401
where: short stacking energy: -299.258
Base-Backbone interact. energy: 4.725
local terms energy: -464.384984
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -136.888
flat angles C4'-P-C4' energy: -115.447
flat angles P-C4'-P energy: -72.037
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -778.822555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.822555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.822555 (E_RNA)
where:
Base-Base interactions energy: -388.330
where: short stacking energy: -240.896
Base-Backbone interact. energy: -2.232
local terms energy: -388.260390
where:
bonds (distance) C4'-P energy: -103.343
bonds (distance) P-C4' energy: -124.396
flat angles C4'-P-C4' energy: -104.710
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2811.473234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.473234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.473234 (E_RNA)
where:
Base-Base interactions energy: -1955.045
where: short stacking energy: -792.761
Base-Backbone interact. energy: -1.985
local terms energy: -854.442860
where:
bonds (distance) C4'-P energy: -170.445
bonds (distance) P-C4' energy: -155.496
flat angles C4'-P-C4' energy: -176.711
flat angles P-C4'-P energy: -118.652
tors. eta vs tors. theta energy: -233.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2667.080182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.080182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.080182 (E_RNA)
where:
Base-Base interactions energy: -1839.743
where: short stacking energy: -776.016
Base-Backbone interact. energy: -5.745
local terms energy: -821.591696
where:
bonds (distance) C4'-P energy: -150.120
bonds (distance) P-C4' energy: -158.466
flat angles C4'-P-C4' energy: -180.158
flat angles P-C4'-P energy: -120.677
tors. eta vs tors. theta energy: -212.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2570.405390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.405390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.405390 (E_RNA)
where:
Base-Base interactions energy: -1761.645
where: short stacking energy: -763.991
Base-Backbone interact. energy: -2.174
local terms energy: -806.586513
where:
bonds (distance) C4'-P energy: -147.648
bonds (distance) P-C4' energy: -158.281
flat angles C4'-P-C4' energy: -170.445
flat angles P-C4'-P energy: -117.216
tors. eta vs tors. theta energy: -212.996
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: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2375.566565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.566565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.566565 (E_RNA)
where:
Base-Base interactions energy: -1598.356
where: short stacking energy: -681.432
Base-Backbone interact. energy: -2.126
local terms energy: -775.085051
where:
bonds (distance) C4'-P energy: -156.660
bonds (distance) P-C4' energy: -152.882
flat angles C4'-P-C4' energy: -160.056
flat angles P-C4'-P energy: -115.675
tors. eta vs tors. theta energy: -189.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2231.310071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.310071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.310071 (E_RNA)
where:
Base-Base interactions energy: -1470.055
where: short stacking energy: -670.733
Base-Backbone interact. energy: -3.676
local terms energy: -757.579442
where:
bonds (distance) C4'-P energy: -148.397
bonds (distance) P-C4' energy: -152.787
flat angles C4'-P-C4' energy: -163.330
flat angles P-C4'-P energy: -105.796
tors. eta vs tors. theta energy: -187.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2005.758084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.758084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.758084 (E_RNA)
where:
Base-Base interactions energy: -1323.988
where: short stacking energy: -571.851
Base-Backbone interact. energy: -5.487
local terms energy: -676.283627
where:
bonds (distance) C4'-P energy: -149.781
bonds (distance) P-C4' energy: -146.214
flat angles C4'-P-C4' energy: -146.933
flat angles P-C4'-P energy: -78.868
tors. eta vs tors. theta energy: -154.488
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: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1637.182991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.182991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.182991 (E_RNA)
where:
Base-Base interactions energy: -1056.665
where: short stacking energy: -500.442
Base-Backbone interact. energy: -0.112
local terms energy: -580.405358
where:
bonds (distance) C4'-P energy: -124.019
bonds (distance) P-C4' energy: -133.571
flat angles C4'-P-C4' energy: -138.440
flat angles P-C4'-P energy: -69.065
tors. eta vs tors. theta energy: -115.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1355.880398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.880398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.880398 (E_RNA)
where:
Base-Base interactions energy: -833.243
where: short stacking energy: -373.939
Base-Backbone interact. energy: 0.243
local terms energy: -522.880780
where:
bonds (distance) C4'-P energy: -119.381
bonds (distance) P-C4' energy: -130.566
flat angles C4'-P-C4' energy: -132.453
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -64.369
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: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1139.418545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.418545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.418545 (E_RNA)
where:
Base-Base interactions energy: -633.878
where: short stacking energy: -312.627
Base-Backbone interact. energy: -2.039
local terms energy: -503.501631
where:
bonds (distance) C4'-P energy: -132.820
bonds (distance) P-C4' energy: -142.902
flat angles C4'-P-C4' energy: -132.108
flat angles P-C4'-P energy: -71.153
tors. eta vs tors. theta energy: -24.519
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: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -784.310145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.310145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.310145 (E_RNA)
where:
Base-Base interactions energy: -417.143
where: short stacking energy: -260.712
Base-Backbone interact. energy: 4.351
local terms energy: -371.518193
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -119.681
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: 7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2784.424663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.424663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.424663 (E_RNA)
where:
Base-Base interactions energy: -1923.073
where: short stacking energy: -786.960
Base-Backbone interact. energy: 5.092
local terms energy: -866.444317
where:
bonds (distance) C4'-P energy: -155.711
bonds (distance) P-C4' energy: -175.257
flat angles C4'-P-C4' energy: -179.890
flat angles P-C4'-P energy: -130.928
tors. eta vs tors. theta energy: -224.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2677.189335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.189335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.189335 (E_RNA)
where:
Base-Base interactions energy: -1861.841
where: short stacking energy: -781.025
Base-Backbone interact. energy: -2.449
local terms energy: -812.899759
where:
bonds (distance) C4'-P energy: -148.170
bonds (distance) P-C4' energy: -155.929
flat angles C4'-P-C4' energy: -171.839
flat angles P-C4'-P energy: -113.999
tors. eta vs tors. theta energy: -222.964
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: 456
Temperature: 1.000000
Total energy: -2592.840972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.840972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.840972 (E_RNA)
where:
Base-Base interactions energy: -1774.623
where: short stacking energy: -768.013
Base-Backbone interact. energy: 1.607
local terms energy: -819.825449
where:
bonds (distance) C4'-P energy: -139.272
bonds (distance) P-C4' energy: -174.962
flat angles C4'-P-C4' energy: -169.819
flat angles P-C4'-P energy: -121.444
tors. eta vs tors. theta energy: -214.329
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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2392.549679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.549679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.549679 (E_RNA)
where:
Base-Base interactions energy: -1651.920
where: short stacking energy: -711.458
Base-Backbone interact. energy: -2.835
local terms energy: -737.794452
where:
bonds (distance) C4'-P energy: -145.097
bonds (distance) P-C4' energy: -147.651
flat angles C4'-P-C4' energy: -149.240
flat angles P-C4'-P energy: -95.368
tors. eta vs tors. theta energy: -200.438
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: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2224.714106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.714106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.714106 (E_RNA)
where:
Base-Base interactions energy: -1457.988
where: short stacking energy: -667.449
Base-Backbone interact. energy: 0.676
local terms energy: -767.402814
where:
bonds (distance) C4'-P energy: -145.154
bonds (distance) P-C4' energy: -153.590
flat angles C4'-P-C4' energy: -169.432
flat angles P-C4'-P energy: -100.065
tors. eta vs tors. theta energy: -199.162
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1970.139671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.139671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.139671 (E_RNA)
where:
Base-Base interactions energy: -1304.873
where: short stacking energy: -593.030
Base-Backbone interact. energy: -1.399
local terms energy: -663.867807
where:
bonds (distance) C4'-P energy: -140.427
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -162.589
flat angles P-C4'-P energy: -79.980
tors. eta vs tors. theta energy: -144.064
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: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1673.099310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.099310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.099310 (E_RNA)
where:
Base-Base interactions energy: -1050.811
where: short stacking energy: -457.620
Base-Backbone interact. energy: -2.536
local terms energy: -619.753046
where:
bonds (distance) C4'-P energy: -117.926
bonds (distance) P-C4' energy: -153.216
flat angles C4'-P-C4' energy: -136.696
flat angles P-C4'-P energy: -99.655
tors. eta vs tors. theta energy: -112.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1397.663339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.663339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.663339 (E_RNA)
where:
Base-Base interactions energy: -849.613
where: short stacking energy: -404.717
Base-Backbone interact. energy: -3.304
local terms energy: -544.746829
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -136.907
flat angles C4'-P-C4' energy: -147.177
flat angles P-C4'-P energy: -76.309
tors. eta vs tors. theta energy: -75.327
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1104.241825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.241825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.241825 (E_RNA)
where:
Base-Base interactions energy: -585.647
where: short stacking energy: -281.839
Base-Backbone interact. energy: 1.122
local terms energy: -519.716445
where:
bonds (distance) C4'-P energy: -147.842
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -133.886
flat angles P-C4'-P energy: -78.727
tors. eta vs tors. theta energy: -32.244
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: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -830.213281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.213281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.213281 (E_RNA)
where:
Base-Base interactions energy: -401.625
where: short stacking energy: -234.058
Base-Backbone interact. energy: 6.994
local terms energy: -435.582034
where:
bonds (distance) C4'-P energy: -109.360
bonds (distance) P-C4' energy: -136.141
flat angles C4'-P-C4' energy: -121.580
flat angles P-C4'-P energy: -77.851
tors. eta vs tors. theta energy: 9.349
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: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2803.394902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.394902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.394902 (E_RNA)
where:
Base-Base interactions energy: -1948.133
where: short stacking energy: -781.805
Base-Backbone interact. energy: -3.206
local terms energy: -852.055472
where:
bonds (distance) C4'-P energy: -149.171
bonds (distance) P-C4' energy: -170.820
flat angles C4'-P-C4' energy: -182.486
flat angles P-C4'-P energy: -117.019
tors. eta vs tors. theta energy: -232.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2642.922959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.922959 (E_RNA)
where:
Base-Base interactions energy: -1843.242
where: short stacking energy: -780.758
Base-Backbone interact. energy: -5.134
local terms energy: -794.546384
where:
bonds (distance) C4'-P energy: -146.381
bonds (distance) P-C4' energy: -162.341
flat angles C4'-P-C4' energy: -175.810
flat angles P-C4'-P energy: -106.978
tors. eta vs tors. theta energy: -203.037
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2579.003682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.003682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.003682 (E_RNA)
where:
Base-Base interactions energy: -1753.996
where: short stacking energy: -756.777
Base-Backbone interact. energy: -3.158
local terms energy: -821.850414
where:
bonds (distance) C4'-P energy: -165.309
bonds (distance) P-C4' energy: -147.300
flat angles C4'-P-C4' energy: -183.366
flat angles P-C4'-P energy: -102.944
tors. eta vs tors. theta energy: -222.932
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2380.197319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.197319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.197319 (E_RNA)
where:
Base-Base interactions energy: -1601.231
where: short stacking energy: -673.271
Base-Backbone interact. energy: -3.121
local terms energy: -775.846035
where:
bonds (distance) C4'-P energy: -153.994
bonds (distance) P-C4' energy: -156.235
flat angles C4'-P-C4' energy: -168.256
flat angles P-C4'-P energy: -108.764
tors. eta vs tors. theta energy: -188.597
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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2219.557026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.557026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.557026 (E_RNA)
where:
Base-Base interactions energy: -1500.358
where: short stacking energy: -668.345
Base-Backbone interact. energy: -1.734
local terms energy: -717.464918
where:
bonds (distance) C4'-P energy: -114.850
bonds (distance) P-C4' energy: -149.310
flat angles C4'-P-C4' energy: -150.978
flat angles P-C4'-P energy: -116.338
tors. eta vs tors. theta energy: -185.988
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: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1915.344203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.344203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.344203 (E_RNA)
where:
Base-Base interactions energy: -1251.640
where: short stacking energy: -558.521
Base-Backbone interact. energy: -1.761
local terms energy: -661.944128
where:
bonds (distance) C4'-P energy: -136.860
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -154.267
flat angles P-C4'-P energy: -95.392
tors. eta vs tors. theta energy: -139.811
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1704.897293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.897293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.897293 (E_RNA)
where:
Base-Base interactions energy: -1062.819
where: short stacking energy: -485.493
Base-Backbone interact. energy: -1.938
local terms energy: -640.140991
where:
bonds (distance) C4'-P energy: -136.369
bonds (distance) P-C4' energy: -139.451
flat angles C4'-P-C4' energy: -138.592
flat angles P-C4'-P energy: -94.183
tors. eta vs tors. theta energy: -131.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1495.992780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.992780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.992780 (E_RNA)
where:
Base-Base interactions energy: -946.588
where: short stacking energy: -427.881
Base-Backbone interact. energy: 2.673
local terms energy: -552.078022
where:
bonds (distance) C4'-P energy: -153.052
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -144.621
flat angles P-C4'-P energy: -66.078
tors. eta vs tors. theta energy: -70.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1184.534833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.534833 (E_RNA)
where:
Base-Base interactions energy: -703.689
where: short stacking energy: -329.283
Base-Backbone interact. energy: 1.092
local terms energy: -481.938063
where:
bonds (distance) C4'-P energy: -133.399
bonds (distance) P-C4' energy: -128.473
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -57.658
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -773.126502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.126502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.126502 (E_RNA)
where:
Base-Base interactions energy: -354.666
where: short stacking energy: -196.229
Base-Backbone interact. energy: -1.968
local terms energy: -416.491687
where:
bonds (distance) C4'-P energy: -130.378
bonds (distance) P-C4' energy: -133.375
flat angles C4'-P-C4' energy: -101.155
flat angles P-C4'-P energy: -59.109
tors. eta vs tors. theta energy: 7.524
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: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2797.600144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.600144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.600144 (E_RNA)
where:
Base-Base interactions energy: -1930.128
where: short stacking energy: -771.205
Base-Backbone interact. energy: -2.633
local terms energy: -864.839473
where:
bonds (distance) C4'-P energy: -156.868
bonds (distance) P-C4' energy: -155.499
flat angles C4'-P-C4' energy: -185.877
flat angles P-C4'-P energy: -134.712
tors. eta vs tors. theta energy: -231.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2657.910433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.910433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.910433 (E_RNA)
where:
Base-Base interactions energy: -1841.394
where: short stacking energy: -765.111
Base-Backbone interact. energy: -6.077
local terms energy: -810.439143
where:
bonds (distance) C4'-P energy: -177.468
bonds (distance) P-C4' energy: -152.522
flat angles C4'-P-C4' energy: -160.982
flat angles P-C4'-P energy: -108.462
tors. eta vs tors. theta energy: -211.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2581.525468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.525468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.525468 (E_RNA)
where:
Base-Base interactions energy: -1752.085
where: short stacking energy: -744.755
Base-Backbone interact. energy: -0.054
local terms energy: -829.385611
where:
bonds (distance) C4'-P energy: -142.840
bonds (distance) P-C4' energy: -160.988
flat angles C4'-P-C4' energy: -176.471
flat angles P-C4'-P energy: -123.941
tors. eta vs tors. theta energy: -225.145
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: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2411.598477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.598477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.598477 (E_RNA)
where:
Base-Base interactions energy: -1610.471
where: short stacking energy: -721.860
Base-Backbone interact. energy: -0.801
local terms energy: -800.326441
where:
bonds (distance) C4'-P energy: -148.061
bonds (distance) P-C4' energy: -158.665
flat angles C4'-P-C4' energy: -167.568
flat angles P-C4'-P energy: -115.634
tors. eta vs tors. theta energy: -210.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2173.906064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.906064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.906064 (E_RNA)
where:
Base-Base interactions energy: -1408.444
where: short stacking energy: -642.209
Base-Backbone interact. energy: -1.950
local terms energy: -763.511359
where:
bonds (distance) C4'-P energy: -155.150
bonds (distance) P-C4' energy: -160.767
flat angles C4'-P-C4' energy: -163.318
flat angles P-C4'-P energy: -102.791
tors. eta vs tors. theta energy: -181.485
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: 458
Temperature: 1.150000
Total energy: -1904.067318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.067318 (E_RNA)
where:
Base-Base interactions energy: -1254.663
where: short stacking energy: -551.195
Base-Backbone interact. energy: -5.634
local terms energy: -643.771060
where:
bonds (distance) C4'-P energy: -122.301
bonds (distance) P-C4' energy: -148.749
flat angles C4'-P-C4' energy: -148.154
flat angles P-C4'-P energy: -99.757
tors. eta vs tors. theta energy: -124.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1573.902500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.902500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.902500 (E_RNA)
where:
Base-Base interactions energy: -968.068
where: short stacking energy: -424.714
Base-Backbone interact. energy: -0.846
local terms energy: -604.988395
where:
bonds (distance) C4'-P energy: -145.528
bonds (distance) P-C4' energy: -143.696
flat angles C4'-P-C4' energy: -143.294
flat angles P-C4'-P energy: -94.670
tors. eta vs tors. theta energy: -77.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1575.775088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.775088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.775088 (E_RNA)
where:
Base-Base interactions energy: -998.650
where: short stacking energy: -466.193
Base-Backbone interact. energy: 3.247
local terms energy: -580.371829
where:
bonds (distance) C4'-P energy: -125.128
bonds (distance) P-C4' energy: -142.336
flat angles C4'-P-C4' energy: -130.236
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: -122.743
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: 458
Temperature: 1.300000
Total energy: -1155.330480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.330480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.330480 (E_RNA)
where:
Base-Base interactions energy: -640.439
where: short stacking energy: -330.559
Base-Backbone interact. energy: -0.380
local terms energy: -514.511025
where:
bonds (distance) C4'-P energy: -128.466
bonds (distance) P-C4' energy: -140.266
flat angles C4'-P-C4' energy: -140.468
flat angles P-C4'-P energy: -68.067
tors. eta vs tors. theta energy: -37.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -775.194362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.194362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.194362 (E_RNA)
where:
Base-Base interactions energy: -368.038
where: short stacking energy: -185.880
Base-Backbone interact. energy: 2.043
local terms energy: -409.199599
where:
bonds (distance) C4'-P energy: -117.795
bonds (distance) P-C4' energy: -123.457
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -60.658
tors. eta vs tors. theta energy: 17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2799.076755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.076755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.076755 (E_RNA)
where:
Base-Base interactions energy: -1903.800
where: short stacking energy: -796.502
Base-Backbone interact. energy: -4.335
local terms energy: -890.941362
where:
bonds (distance) C4'-P energy: -161.568
bonds (distance) P-C4' energy: -171.817
flat angles C4'-P-C4' energy: -191.920
flat angles P-C4'-P energy: -133.911
tors. eta vs tors. theta energy: -231.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2636.732133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.732133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.732133 (E_RNA)
where:
Base-Base interactions energy: -1809.837
where: short stacking energy: -770.942
Base-Backbone interact. energy: -4.688
local terms energy: -822.207424
where:
bonds (distance) C4'-P energy: -158.438
bonds (distance) P-C4' energy: -142.557
flat angles C4'-P-C4' energy: -189.397
flat angles P-C4'-P energy: -121.231
tors. eta vs tors. theta energy: -210.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2577.361060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.361060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.361060 (E_RNA)
where:
Base-Base interactions energy: -1764.394
where: short stacking energy: -726.459
Base-Backbone interact. energy: -5.515
local terms energy: -807.451881
where:
bonds (distance) C4'-P energy: -161.217
bonds (distance) P-C4' energy: -156.537
flat angles C4'-P-C4' energy: -173.759
flat angles P-C4'-P energy: -112.971
tors. eta vs tors. theta energy: -202.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2419.412370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.412370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.412370 (E_RNA)
where:
Base-Base interactions energy: -1638.131
where: short stacking energy: -722.583
Base-Backbone interact. energy: -2.702
local terms energy: -778.578887
where:
bonds (distance) C4'-P energy: -147.168
bonds (distance) P-C4' energy: -135.390
flat angles C4'-P-C4' energy: -170.847
flat angles P-C4'-P energy: -110.666
tors. eta vs tors. theta energy: -214.508
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: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2183.511050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.511050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.511050 (E_RNA)
where:
Base-Base interactions energy: -1424.183
where: short stacking energy: -618.666
Base-Backbone interact. energy: 0.033
local terms energy: -759.360722
where:
bonds (distance) C4'-P energy: -142.864
bonds (distance) P-C4' energy: -164.738
flat angles C4'-P-C4' energy: -163.854
flat angles P-C4'-P energy: -100.359
tors. eta vs tors. theta energy: -187.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1930.254547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.254547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.254547 (E_RNA)
where:
Base-Base interactions energy: -1291.309
where: short stacking energy: -569.465
Base-Backbone interact. energy: -6.149
local terms energy: -632.796890
where:
bonds (distance) C4'-P energy: -133.654
bonds (distance) P-C4' energy: -150.552
flat angles C4'-P-C4' energy: -144.473
flat angles P-C4'-P energy: -91.494
tors. eta vs tors. theta energy: -112.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1692.465308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.465308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.465308 (E_RNA)
where:
Base-Base interactions energy: -1040.001
where: short stacking energy: -473.382
Base-Backbone interact. energy: 2.593
local terms energy: -655.056578
where:
bonds (distance) C4'-P energy: -158.036
bonds (distance) P-C4' energy: -147.821
flat angles C4'-P-C4' energy: -150.969
flat angles P-C4'-P energy: -80.104
tors. eta vs tors. theta energy: -118.126
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: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1491.960804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.960804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.960804 (E_RNA)
where:
Base-Base interactions energy: -953.327
where: short stacking energy: -432.338
Base-Backbone interact. energy: -2.851
local terms energy: -535.782673
where:
bonds (distance) C4'-P energy: -106.912
bonds (distance) P-C4' energy: -142.857
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -94.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1182.101106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.101106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.101106 (E_RNA)
where:
Base-Base interactions energy: -691.722
where: short stacking energy: -355.713
Base-Backbone interact. energy: 2.924
local terms energy: -493.302660
where:
bonds (distance) C4'-P energy: -119.633
bonds (distance) P-C4' energy: -135.829
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -67.707
tors. eta vs tors. theta energy: -47.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -854.057799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.057799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.057799 (E_RNA)
where:
Base-Base interactions energy: -427.779
where: short stacking energy: -246.740
Base-Backbone interact. energy: -1.567
local terms energy: -424.711275
where:
bonds (distance) C4'-P energy: -112.318
bonds (distance) P-C4' energy: -136.571
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -68.110
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2808.491671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.491671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.491671 (E_RNA)
where:
Base-Base interactions energy: -1951.695
where: short stacking energy: -785.942
Base-Backbone interact. energy: -2.508
local terms energy: -854.288573
where:
bonds (distance) C4'-P energy: -167.815
bonds (distance) P-C4' energy: -168.344
flat angles C4'-P-C4' energy: -171.733
flat angles P-C4'-P energy: -120.441
tors. eta vs tors. theta energy: -225.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2656.899252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.899252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.899252 (E_RNA)
where:
Base-Base interactions energy: -1809.904
where: short stacking energy: -767.116
Base-Backbone interact. energy: -3.148
local terms energy: -843.846752
where:
bonds (distance) C4'-P energy: -148.220
bonds (distance) P-C4' energy: -166.629
flat angles C4'-P-C4' energy: -182.685
flat angles P-C4'-P energy: -112.232
tors. eta vs tors. theta energy: -234.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2531.261872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.261872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.261872 (E_RNA)
where:
Base-Base interactions energy: -1766.511
where: short stacking energy: -705.438
Base-Backbone interact. energy: 1.900
local terms energy: -766.650807
where:
bonds (distance) C4'-P energy: -139.981
bonds (distance) P-C4' energy: -165.468
flat angles C4'-P-C4' energy: -158.809
flat angles P-C4'-P energy: -109.344
tors. eta vs tors. theta energy: -193.049
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: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2348.580455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.580455 (E_RNA)
where:
Base-Base interactions energy: -1595.672
where: short stacking energy: -699.954
Base-Backbone interact. energy: -2.983
local terms energy: -749.925757
where:
bonds (distance) C4'-P energy: -130.089
bonds (distance) P-C4' energy: -153.743
flat angles C4'-P-C4' energy: -169.080
flat angles P-C4'-P energy: -92.635
tors. eta vs tors. theta energy: -204.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2196.844723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.844723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.844723 (E_RNA)
where:
Base-Base interactions energy: -1464.516
where: short stacking energy: -634.708
Base-Backbone interact. energy: -2.533
local terms energy: -729.796028
where:
bonds (distance) C4'-P energy: -151.622
bonds (distance) P-C4' energy: -136.468
flat angles C4'-P-C4' energy: -159.600
flat angles P-C4'-P energy: -107.709
tors. eta vs tors. theta energy: -174.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1903.046715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.046715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.046715 (E_RNA)
where:
Base-Base interactions energy: -1260.465
where: short stacking energy: -545.304
Base-Backbone interact. energy: 0.498
local terms energy: -643.079466
where:
bonds (distance) C4'-P energy: -140.609
bonds (distance) P-C4' energy: -131.548
flat angles C4'-P-C4' energy: -149.226
flat angles P-C4'-P energy: -91.756
tors. eta vs tors. theta energy: -129.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1672.666896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.666896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.666896 (E_RNA)
where:
Base-Base interactions energy: -1075.250
where: short stacking energy: -479.256
Base-Backbone interact. energy: -0.644
local terms energy: -596.772522
where:
bonds (distance) C4'-P energy: -129.925
bonds (distance) P-C4' energy: -125.130
flat angles C4'-P-C4' energy: -146.836
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -119.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1501.393866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.393866 (E_RNA)
where:
Base-Base interactions energy: -951.348
where: short stacking energy: -440.780
Base-Backbone interact. energy: -2.196
local terms energy: -547.850355
where:
bonds (distance) C4'-P energy: -112.810
bonds (distance) P-C4' energy: -125.421
flat angles C4'-P-C4' energy: -128.197
flat angles P-C4'-P energy: -86.775
tors. eta vs tors. theta energy: -94.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1203.112406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.112406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.112406 (E_RNA)
where:
Base-Base interactions energy: -683.627
where: short stacking energy: -338.106
Base-Backbone interact. energy: 2.816
local terms energy: -522.301240
where:
bonds (distance) C4'-P energy: -124.590
bonds (distance) P-C4' energy: -140.237
flat angles C4'-P-C4' energy: -142.457
flat angles P-C4'-P energy: -83.164
tors. eta vs tors. theta energy: -31.853
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: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -806.100914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.100914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.100914 (E_RNA)
where:
Base-Base interactions energy: -387.507
where: short stacking energy: -220.697
Base-Backbone interact. energy: 3.041
local terms energy: -421.634756
where:
bonds (distance) C4'-P energy: -109.008
bonds (distance) P-C4' energy: -145.515
flat angles C4'-P-C4' energy: -109.858
flat angles P-C4'-P energy: -63.468
tors. eta vs tors. theta energy: 6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2804.002501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.002501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.002501 (E_RNA)
where:
Base-Base interactions energy: -1936.543
where: short stacking energy: -773.180
Base-Backbone interact. energy: -4.693
local terms energy: -862.766272
where:
bonds (distance) C4'-P energy: -159.237
bonds (distance) P-C4' energy: -164.117
flat angles C4'-P-C4' energy: -191.090
flat angles P-C4'-P energy: -115.616
tors. eta vs tors. theta energy: -232.706
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: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2676.631734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.631734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.631734 (E_RNA)
where:
Base-Base interactions energy: -1805.977
where: short stacking energy: -776.005
Base-Backbone interact. energy: 2.104
local terms energy: -872.759068
where:
bonds (distance) C4'-P energy: -146.143
bonds (distance) P-C4' energy: -167.368
flat angles C4'-P-C4' energy: -192.832
flat angles P-C4'-P energy: -126.437
tors. eta vs tors. theta energy: -239.978
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: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2508.122994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.122994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.122994 (E_RNA)
where:
Base-Base interactions energy: -1742.296
where: short stacking energy: -712.738
Base-Backbone interact. energy: -6.838
local terms energy: -758.989566
where:
bonds (distance) C4'-P energy: -144.214
bonds (distance) P-C4' energy: -138.387
flat angles C4'-P-C4' energy: -159.693
flat angles P-C4'-P energy: -129.579
tors. eta vs tors. theta energy: -187.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2328.238849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.238849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.238849 (E_RNA)
where:
Base-Base interactions energy: -1582.588
where: short stacking energy: -691.783
Base-Backbone interact. energy: -0.188
local terms energy: -745.463416
where:
bonds (distance) C4'-P energy: -130.779
bonds (distance) P-C4' energy: -151.676
flat angles C4'-P-C4' energy: -160.250
flat angles P-C4'-P energy: -109.673
tors. eta vs tors. theta energy: -193.085
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: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2182.134284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.134284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.134284 (E_RNA)
where:
Base-Base interactions energy: -1493.236
where: short stacking energy: -645.181
Base-Backbone interact. energy: 5.829
local terms energy: -694.726993
where:
bonds (distance) C4'-P energy: -123.280
bonds (distance) P-C4' energy: -143.673
flat angles C4'-P-C4' energy: -144.886
flat angles P-C4'-P energy: -113.976
tors. eta vs tors. theta energy: -168.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1856.845850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.845850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.845850 (E_RNA)
where:
Base-Base interactions energy: -1230.584
where: short stacking energy: -548.069
Base-Backbone interact. energy: 0.936
local terms energy: -627.197815
where:
bonds (distance) C4'-P energy: -142.392
bonds (distance) P-C4' energy: -127.717
flat angles C4'-P-C4' energy: -134.050
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -131.822
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: 461
Temperature: 1.200000
Total energy: -1706.593651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.593651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.593651 (E_RNA)
where:
Base-Base interactions energy: -1085.451
where: short stacking energy: -474.329
Base-Backbone interact. energy: 1.122
local terms energy: -622.264565
where:
bonds (distance) C4'-P energy: -143.236
bonds (distance) P-C4' energy: -141.113
flat angles C4'-P-C4' energy: -157.281
flat angles P-C4'-P energy: -91.133
tors. eta vs tors. theta energy: -89.502
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: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1495.465895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.465895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.465895 (E_RNA)
where:
Base-Base interactions energy: -940.576
where: short stacking energy: -424.634
Base-Backbone interact. energy: -2.117
local terms energy: -552.772712
where:
bonds (distance) C4'-P energy: -105.183
bonds (distance) P-C4' energy: -136.283
flat angles C4'-P-C4' energy: -145.735
flat angles P-C4'-P energy: -92.175
tors. eta vs tors. theta energy: -73.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1159.237156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.237156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.237156 (E_RNA)
where:
Base-Base interactions energy: -666.613
where: short stacking energy: -301.814
Base-Backbone interact. energy: -3.093
local terms energy: -489.531169
where:
bonds (distance) C4'-P energy: -115.492
bonds (distance) P-C4' energy: -141.045
flat angles C4'-P-C4' energy: -132.375
flat angles P-C4'-P energy: -70.584
tors. eta vs tors. theta energy: -30.035
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: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -790.301667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.301667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.301667 (E_RNA)
where:
Base-Base interactions energy: -365.202
where: short stacking energy: -212.502
Base-Backbone interact. energy: -0.530
local terms energy: -424.570347
where:
bonds (distance) C4'-P energy: -104.338
bonds (distance) P-C4' energy: -128.805
flat angles C4'-P-C4' energy: -121.781
flat angles P-C4'-P energy: -73.739
tors. eta vs tors. theta energy: 4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2823.710161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.710161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.710161 (E_RNA)
where:
Base-Base interactions energy: -1957.667
where: short stacking energy: -806.975
Base-Backbone interact. energy: -1.982
local terms energy: -864.061037
where:
bonds (distance) C4'-P energy: -157.013
bonds (distance) P-C4' energy: -166.356
flat angles C4'-P-C4' energy: -192.052
flat angles P-C4'-P energy: -119.395
tors. eta vs tors. theta energy: -229.245
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: 462
Temperature: 0.950000
Total energy: -2701.914018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.914018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.914018 (E_RNA)
where:
Base-Base interactions energy: -1839.243
where: short stacking energy: -798.721
Base-Backbone interact. energy: -3.637
local terms energy: -859.034191
where:
bonds (distance) C4'-P energy: -149.165
bonds (distance) P-C4' energy: -163.753
flat angles C4'-P-C4' energy: -181.865
flat angles P-C4'-P energy: -117.850
tors. eta vs tors. theta energy: -246.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2539.077806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.077806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.077806 (E_RNA)
where:
Base-Base interactions energy: -1750.043
where: short stacking energy: -717.737
Base-Backbone interact. energy: 4.808
local terms energy: -793.842987
where:
bonds (distance) C4'-P energy: -141.538
bonds (distance) P-C4' energy: -163.979
flat angles C4'-P-C4' energy: -168.293
flat angles P-C4'-P energy: -118.777
tors. eta vs tors. theta energy: -201.256
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2363.284209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.284209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.284209 (E_RNA)
where:
Base-Base interactions energy: -1601.189
where: short stacking energy: -722.767
Base-Backbone interact. energy: 0.375
local terms energy: -762.470027
where:
bonds (distance) C4'-P energy: -161.294
bonds (distance) P-C4' energy: -138.764
flat angles C4'-P-C4' energy: -159.164
flat angles P-C4'-P energy: -99.662
tors. eta vs tors. theta energy: -203.586
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: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2240.656389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.656389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.656389 (E_RNA)
where:
Base-Base interactions energy: -1488.009
where: short stacking energy: -667.355
Base-Backbone interact. energy: -1.048
local terms energy: -751.598605
where:
bonds (distance) C4'-P energy: -145.236
bonds (distance) P-C4' energy: -150.583
flat angles C4'-P-C4' energy: -166.929
flat angles P-C4'-P energy: -98.142
tors. eta vs tors. theta energy: -190.710
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: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1902.989226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.989226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.989226 (E_RNA)
where:
Base-Base interactions energy: -1268.202
where: short stacking energy: -549.391
Base-Backbone interact. energy: 1.369
local terms energy: -636.156008
where:
bonds (distance) C4'-P energy: -121.982
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -155.204
flat angles P-C4'-P energy: -91.298
tors. eta vs tors. theta energy: -134.312
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: 462
Temperature: 1.200000
Total energy: -1708.966988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.966988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.966988 (E_RNA)
where:
Base-Base interactions energy: -1083.027
where: short stacking energy: -490.678
Base-Backbone interact. energy: -1.901
local terms energy: -624.039154
where:
bonds (distance) C4'-P energy: -138.838
bonds (distance) P-C4' energy: -126.961
flat angles C4'-P-C4' energy: -154.363
flat angles P-C4'-P energy: -83.919
tors. eta vs tors. theta energy: -119.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1410.881320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.881320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.881320 (E_RNA)
where:
Base-Base interactions energy: -869.834
where: short stacking energy: -409.870
Base-Backbone interact. energy: -1.882
local terms energy: -539.164531
where:
bonds (distance) C4'-P energy: -126.556
bonds (distance) P-C4' energy: -127.797
flat angles C4'-P-C4' energy: -119.383
flat angles P-C4'-P energy: -95.306
tors. eta vs tors. theta energy: -70.123
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1133.513265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.513265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.513265 (E_RNA)
where:
Base-Base interactions energy: -637.333
where: short stacking energy: -305.854
Base-Backbone interact. energy: 1.557
local terms energy: -497.737246
where:
bonds (distance) C4'-P energy: -123.677
bonds (distance) P-C4' energy: -131.207
flat angles C4'-P-C4' energy: -118.203
flat angles P-C4'-P energy: -91.410
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: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -795.939527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.939527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.939527 (E_RNA)
where:
Base-Base interactions energy: -352.965
where: short stacking energy: -186.210
Base-Backbone interact. energy: 3.590
local terms energy: -446.564183
where:
bonds (distance) C4'-P energy: -121.831
bonds (distance) P-C4' energy: -139.483
flat angles C4'-P-C4' energy: -116.991
flat angles P-C4'-P energy: -71.280
tors. eta vs tors. theta energy: 3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2799.372194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.372194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.372194 (E_RNA)
where:
Base-Base interactions energy: -1956.041
where: short stacking energy: -780.408
Base-Backbone interact. energy: -4.991
local terms energy: -838.340607
where:
bonds (distance) C4'-P energy: -158.483
bonds (distance) P-C4' energy: -149.779
flat angles C4'-P-C4' energy: -169.600
flat angles P-C4'-P energy: -141.341
tors. eta vs tors. theta energy: -219.137
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: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2673.792392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.792392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.792392 (E_RNA)
where:
Base-Base interactions energy: -1795.177
where: short stacking energy: -783.445
Base-Backbone interact. energy: -1.281
local terms energy: -877.334622
where:
bonds (distance) C4'-P energy: -160.525
bonds (distance) P-C4' energy: -169.251
flat angles C4'-P-C4' energy: -189.868
flat angles P-C4'-P energy: -118.414
tors. eta vs tors. theta energy: -239.276
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: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2537.476522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.476522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.476522 (E_RNA)
where:
Base-Base interactions energy: -1754.763
where: short stacking energy: -717.696
Base-Backbone interact. energy: -2.234
local terms energy: -780.479641
where:
bonds (distance) C4'-P energy: -156.760
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -161.672
flat angles P-C4'-P energy: -120.518
tors. eta vs tors. theta energy: -197.262
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: 463
Temperature: 1.050000
Total energy: -2321.237245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.237245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.237245 (E_RNA)
where:
Base-Base interactions energy: -1528.753
where: short stacking energy: -698.471
Base-Backbone interact. energy: -2.089
local terms energy: -790.395411
where:
bonds (distance) C4'-P energy: -152.865
bonds (distance) P-C4' energy: -151.977
flat angles C4'-P-C4' energy: -169.142
flat angles P-C4'-P energy: -111.319
tors. eta vs tors. theta energy: -205.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2292.168677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.168677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.168677 (E_RNA)
where:
Base-Base interactions energy: -1555.965
where: short stacking energy: -653.822
Base-Backbone interact. energy: 12.254
local terms energy: -748.457432
where:
bonds (distance) C4'-P energy: -137.328
bonds (distance) P-C4' energy: -153.249
flat angles C4'-P-C4' energy: -163.502
flat angles P-C4'-P energy: -114.289
tors. eta vs tors. theta energy: -180.090
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: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1944.502894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.502894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.502894 (E_RNA)
where:
Base-Base interactions energy: -1289.715
where: short stacking energy: -578.562
Base-Backbone interact. energy: -2.570
local terms energy: -652.217945
where:
bonds (distance) C4'-P energy: -120.912
bonds (distance) P-C4' energy: -156.402
flat angles C4'-P-C4' energy: -147.771
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -142.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1782.196691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.196691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.196691 (E_RNA)
where:
Base-Base interactions energy: -1123.744
where: short stacking energy: -497.262
Base-Backbone interact. energy: 2.863
local terms energy: -661.316380
where:
bonds (distance) C4'-P energy: -150.847
bonds (distance) P-C4' energy: -138.567
flat angles C4'-P-C4' energy: -146.565
flat angles P-C4'-P energy: -102.943
tors. eta vs tors. theta energy: -122.394
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: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1439.768896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.768896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.768896 (E_RNA)
where:
Base-Base interactions energy: -894.332
where: short stacking energy: -422.166
Base-Backbone interact. energy: -2.575
local terms energy: -542.862679
where:
bonds (distance) C4'-P energy: -120.501
bonds (distance) P-C4' energy: -134.764
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -75.485
tors. eta vs tors. theta energy: -76.544
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: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1175.724794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.724794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.724794 (E_RNA)
where:
Base-Base interactions energy: -673.966
where: short stacking energy: -332.325
Base-Backbone interact. energy: 0.103
local terms energy: -501.862342
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -134.145
flat angles C4'-P-C4' energy: -128.672
flat angles P-C4'-P energy: -67.374
tors. eta vs tors. theta energy: -39.183
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: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -708.629560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.629560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.629560 (E_RNA)
where:
Base-Base interactions energy: -284.340
where: short stacking energy: -182.522
Base-Backbone interact. energy: -1.578
local terms energy: -422.711572
where:
bonds (distance) C4'-P energy: -131.459
bonds (distance) P-C4' energy: -137.663
flat angles C4'-P-C4' energy: -124.928
flat angles P-C4'-P energy: -63.821
tors. eta vs tors. theta energy: 35.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2782.832050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.832050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.832050 (E_RNA)
where:
Base-Base interactions energy: -1930.772
where: short stacking energy: -793.866
Base-Backbone interact. energy: -6.128
local terms energy: -845.931685
where:
bonds (distance) C4'-P energy: -156.721
bonds (distance) P-C4' energy: -155.844
flat angles C4'-P-C4' energy: -186.550
flat angles P-C4'-P energy: -114.687
tors. eta vs tors. theta energy: -232.129
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: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2680.526643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.526643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.526643 (E_RNA)
where:
Base-Base interactions energy: -1814.893
where: short stacking energy: -796.904
Base-Backbone interact. energy: -1.204
local terms energy: -864.429385
where:
bonds (distance) C4'-P energy: -159.209
bonds (distance) P-C4' energy: -159.342
flat angles C4'-P-C4' energy: -183.045
flat angles P-C4'-P energy: -119.173
tors. eta vs tors. theta energy: -243.660
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: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2550.394354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.394354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.394354 (E_RNA)
where:
Base-Base interactions energy: -1786.729
where: short stacking energy: -727.304
Base-Backbone interact. energy: -3.039
local terms energy: -760.626889
where:
bonds (distance) C4'-P energy: -136.476
bonds (distance) P-C4' energy: -154.738
flat angles C4'-P-C4' energy: -164.314
flat angles P-C4'-P energy: -101.281
tors. eta vs tors. theta energy: -203.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2364.927593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.927593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.927593 (E_RNA)
where:
Base-Base interactions energy: -1595.445
where: short stacking energy: -693.072
Base-Backbone interact. energy: -2.301
local terms energy: -767.181937
where:
bonds (distance) C4'-P energy: -135.544
bonds (distance) P-C4' energy: -153.046
flat angles C4'-P-C4' energy: -170.214
flat angles P-C4'-P energy: -101.632
tors. eta vs tors. theta energy: -206.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2306.939277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.939277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.939277 (E_RNA)
where:
Base-Base interactions energy: -1550.354
where: short stacking energy: -667.343
Base-Backbone interact. energy: -3.923
local terms energy: -753.762546
where:
bonds (distance) C4'-P energy: -149.664
bonds (distance) P-C4' energy: -142.481
flat angles C4'-P-C4' energy: -173.433
flat angles P-C4'-P energy: -102.206
tors. eta vs tors. theta energy: -185.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.100 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1908.272372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.272372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.272372 (E_RNA)
where:
Base-Base interactions energy: -1240.771
where: short stacking energy: -583.583
Base-Backbone interact. energy: -1.367
local terms energy: -666.134022
where:
bonds (distance) C4'-P energy: -130.126
bonds (distance) P-C4' energy: -154.250
flat angles C4'-P-C4' energy: -141.314
flat angles P-C4'-P energy: -97.362
tors. eta vs tors. theta energy: -143.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1738.210181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.210181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.210181 (E_RNA)
where:
Base-Base interactions energy: -1126.794
where: short stacking energy: -495.917
Base-Backbone interact. energy: 1.545
local terms energy: -612.961389
where:
bonds (distance) C4'-P energy: -126.828
bonds (distance) P-C4' energy: -134.909
flat angles C4'-P-C4' energy: -143.149
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -119.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1431.770673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.770673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.770673 (E_RNA)
where:
Base-Base interactions energy: -897.577
where: short stacking energy: -389.164
Base-Backbone interact. energy: -0.010
local terms energy: -534.183893
where:
bonds (distance) C4'-P energy: -117.360
bonds (distance) P-C4' energy: -147.654
flat angles C4'-P-C4' energy: -122.934
flat angles P-C4'-P energy: -72.805
tors. eta vs tors. theta energy: -73.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1140.701438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.701438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.701438 (E_RNA)
where:
Base-Base interactions energy: -631.710
where: short stacking energy: -310.287
Base-Backbone interact. energy: -1.502
local terms energy: -507.489289
where:
bonds (distance) C4'-P energy: -135.668
bonds (distance) P-C4' energy: -150.127
flat angles C4'-P-C4' energy: -118.804
flat angles P-C4'-P energy: -86.869
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -700.146676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.146676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.146676 (E_RNA)
where:
Base-Base interactions energy: -266.492
where: short stacking energy: -180.561
Base-Backbone interact. energy: -2.723
local terms energy: -430.931918
where:
bonds (distance) C4'-P energy: -119.760
bonds (distance) P-C4' energy: -127.449
flat angles C4'-P-C4' energy: -107.244
flat angles P-C4'-P energy: -94.660
tors. eta vs tors. theta energy: 18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2802.042043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.042043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.042043 (E_RNA)
where:
Base-Base interactions energy: -1928.276
where: short stacking energy: -778.139
Base-Backbone interact. energy: -4.459
local terms energy: -869.307394
where:
bonds (distance) C4'-P energy: -156.922
bonds (distance) P-C4' energy: -182.218
flat angles C4'-P-C4' energy: -188.674
flat angles P-C4'-P energy: -120.993
tors. eta vs tors. theta energy: -220.500
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: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2722.741266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.741266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.741266 (E_RNA)
where:
Base-Base interactions energy: -1850.264
where: short stacking energy: -814.019
Base-Backbone interact. energy: -3.302
local terms energy: -869.174432
where:
bonds (distance) C4'-P energy: -139.379
bonds (distance) P-C4' energy: -162.436
flat angles C4'-P-C4' energy: -187.622
flat angles P-C4'-P energy: -120.549
tors. eta vs tors. theta energy: -259.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2591.319859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.319859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.319859 (E_RNA)
where:
Base-Base interactions energy: -1803.718
where: short stacking energy: -741.802
Base-Backbone interact. energy: -2.246
local terms energy: -785.355564
where:
bonds (distance) C4'-P energy: -158.496
bonds (distance) P-C4' energy: -152.889
flat angles C4'-P-C4' energy: -166.554
flat angles P-C4'-P energy: -102.629
tors. eta vs tors. theta energy: -204.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2428.748952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.748952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.748952 (E_RNA)
where:
Base-Base interactions energy: -1663.575
where: short stacking energy: -730.952
Base-Backbone interact. energy: -0.821
local terms energy: -764.352341
where:
bonds (distance) C4'-P energy: -150.726
bonds (distance) P-C4' energy: -135.773
flat angles C4'-P-C4' energy: -165.626
flat angles P-C4'-P energy: -98.206
tors. eta vs tors. theta energy: -214.022
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: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2282.265125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.265125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.265125 (E_RNA)
where:
Base-Base interactions energy: -1543.745
where: short stacking energy: -657.460
Base-Backbone interact. energy: -3.348
local terms energy: -735.172682
where:
bonds (distance) C4'-P energy: -131.667
bonds (distance) P-C4' energy: -146.294
flat angles C4'-P-C4' energy: -147.334
flat angles P-C4'-P energy: -109.943
tors. eta vs tors. theta energy: -199.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1918.895829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.895829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.895829 (E_RNA)
where:
Base-Base interactions energy: -1257.561
where: short stacking energy: -581.069
Base-Backbone interact. energy: 2.174
local terms energy: -663.508909
where:
bonds (distance) C4'-P energy: -146.087
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -139.055
flat angles P-C4'-P energy: -97.945
tors. eta vs tors. theta energy: -144.920
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: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1729.973525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.973525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.973525 (E_RNA)
where:
Base-Base interactions energy: -1096.745
where: short stacking energy: -482.267
Base-Backbone interact. energy: -1.154
local terms energy: -632.074666
where:
bonds (distance) C4'-P energy: -120.512
bonds (distance) P-C4' energy: -165.868
flat angles C4'-P-C4' energy: -146.052
flat angles P-C4'-P energy: -82.936
tors. eta vs tors. theta energy: -116.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1418.650857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.650857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.650857 (E_RNA)
where:
Base-Base interactions energy: -854.257
where: short stacking energy: -414.406
Base-Backbone interact. energy: 1.860
local terms energy: -566.254410
where:
bonds (distance) C4'-P energy: -149.231
bonds (distance) P-C4' energy: -134.409
flat angles C4'-P-C4' energy: -122.428
flat angles P-C4'-P energy: -85.662
tors. eta vs tors. theta energy: -74.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1096.770050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.770050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.770050 (E_RNA)
where:
Base-Base interactions energy: -595.939
where: short stacking energy: -308.580
Base-Backbone interact. energy: -3.134
local terms energy: -497.697268
where:
bonds (distance) C4'-P energy: -143.814
bonds (distance) P-C4' energy: -147.054
flat angles C4'-P-C4' energy: -92.244
flat angles P-C4'-P energy: -92.799
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -702.936019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.936019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.936019 (E_RNA)
where:
Base-Base interactions energy: -269.643
where: short stacking energy: -160.625
Base-Backbone interact. energy: 3.891
local terms energy: -437.184551
where:
bonds (distance) C4'-P energy: -112.105
bonds (distance) P-C4' energy: -149.504
flat angles C4'-P-C4' energy: -111.543
flat angles P-C4'-P energy: -76.079
tors. eta vs tors. theta energy: 12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2787.642373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.642373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.642373 (E_RNA)
where:
Base-Base interactions energy: -1927.731
where: short stacking energy: -754.201
Base-Backbone interact. energy: -7.052
local terms energy: -852.858895
where:
bonds (distance) C4'-P energy: -159.436
bonds (distance) P-C4' energy: -163.708
flat angles C4'-P-C4' energy: -184.170
flat angles P-C4'-P energy: -130.416
tors. eta vs tors. theta energy: -215.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2699.050546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.050546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.050546 (E_RNA)
where:
Base-Base interactions energy: -1848.469
where: short stacking energy: -799.307
Base-Backbone interact. energy: -2.471
local terms energy: -848.110587
where:
bonds (distance) C4'-P energy: -158.362
bonds (distance) P-C4' energy: -145.607
flat angles C4'-P-C4' energy: -183.577
flat angles P-C4'-P energy: -121.795
tors. eta vs tors. theta energy: -238.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2561.658865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.658865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.658865 (E_RNA)
where:
Base-Base interactions energy: -1777.757
where: short stacking energy: -713.556
Base-Backbone interact. energy: -1.106
local terms energy: -782.795798
where:
bonds (distance) C4'-P energy: -136.390
bonds (distance) P-C4' energy: -146.912
flat angles C4'-P-C4' energy: -185.794
flat angles P-C4'-P energy: -119.490
tors. eta vs tors. theta energy: -194.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2402.355595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.355595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.355595 (E_RNA)
where:
Base-Base interactions energy: -1603.222
where: short stacking energy: -699.671
Base-Backbone interact. energy: -7.447
local terms energy: -791.686792
where:
bonds (distance) C4'-P energy: -159.304
bonds (distance) P-C4' energy: -150.028
flat angles C4'-P-C4' energy: -168.822
flat angles P-C4'-P energy: -103.937
tors. eta vs tors. theta energy: -209.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2244.455172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.455172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.455172 (E_RNA)
where:
Base-Base interactions energy: -1506.554
where: short stacking energy: -683.621
Base-Backbone interact. energy: -3.932
local terms energy: -733.968681
where:
bonds (distance) C4'-P energy: -146.157
bonds (distance) P-C4' energy: -139.977
flat angles C4'-P-C4' energy: -158.560
flat angles P-C4'-P energy: -92.792
tors. eta vs tors. theta energy: -196.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1896.480624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.480624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.480624 (E_RNA)
where:
Base-Base interactions energy: -1236.719
where: short stacking energy: -559.460
Base-Backbone interact. energy: -3.206
local terms energy: -656.555530
where:
bonds (distance) C4'-P energy: -129.869
bonds (distance) P-C4' energy: -130.664
flat angles C4'-P-C4' energy: -142.424
flat angles P-C4'-P energy: -111.069
tors. eta vs tors. theta energy: -142.530
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1787.769788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.769788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.769788 (E_RNA)
where:
Base-Base interactions energy: -1132.834
where: short stacking energy: -503.662
Base-Backbone interact. energy: -3.477
local terms energy: -651.459022
where:
bonds (distance) C4'-P energy: -121.948
bonds (distance) P-C4' energy: -143.048
flat angles C4'-P-C4' energy: -155.238
flat angles P-C4'-P energy: -91.377
tors. eta vs tors. theta energy: -139.848
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1391.605788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.605788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.605788 (E_RNA)
where:
Base-Base interactions energy: -863.144
where: short stacking energy: -392.533
Base-Backbone interact. energy: 2.106
local terms energy: -530.568018
where:
bonds (distance) C4'-P energy: -133.291
bonds (distance) P-C4' energy: -123.903
flat angles C4'-P-C4' energy: -139.668
flat angles P-C4'-P energy: -87.829
tors. eta vs tors. theta energy: -45.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1162.818623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.818623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.818623 (E_RNA)
where:
Base-Base interactions energy: -656.728
where: short stacking energy: -358.215
Base-Backbone interact. energy: -1.097
local terms energy: -504.993204
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -140.467
flat angles C4'-P-C4' energy: -121.778
flat angles P-C4'-P energy: -74.175
tors. eta vs tors. theta energy: -70.194
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: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -768.945687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.945687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.945687 (E_RNA)
where:
Base-Base interactions energy: -336.482
where: short stacking energy: -226.641
Base-Backbone interact. energy: 5.685
local terms energy: -438.149247
where:
bonds (distance) C4'-P energy: -122.672
bonds (distance) P-C4' energy: -141.501
flat angles C4'-P-C4' energy: -117.999
flat angles P-C4'-P energy: -66.901
tors. eta vs tors. theta energy: 10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2809.927092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.927092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.927092 (E_RNA)
where:
Base-Base interactions energy: -1950.145
where: short stacking energy: -788.785
Base-Backbone interact. energy: -3.993
local terms energy: -855.788893
where:
bonds (distance) C4'-P energy: -154.481
bonds (distance) P-C4' energy: -161.711
flat angles C4'-P-C4' energy: -190.827
flat angles P-C4'-P energy: -126.176
tors. eta vs tors. theta energy: -222.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2711.525089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.525089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.525089 (E_RNA)
where:
Base-Base interactions energy: -1851.217
where: short stacking energy: -778.730
Base-Backbone interact. energy: -3.140
local terms energy: -857.167677
where:
bonds (distance) C4'-P energy: -153.393
bonds (distance) P-C4' energy: -162.998
flat angles C4'-P-C4' energy: -176.001
flat angles P-C4'-P energy: -116.959
tors. eta vs tors. theta energy: -247.817
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: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2552.085368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.085368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.085368 (E_RNA)
where:
Base-Base interactions energy: -1782.953
where: short stacking energy: -725.657
Base-Backbone interact. energy: -3.331
local terms energy: -765.801422
where:
bonds (distance) C4'-P energy: -130.245
bonds (distance) P-C4' energy: -142.318
flat angles C4'-P-C4' energy: -167.142
flat angles P-C4'-P energy: -124.594
tors. eta vs tors. theta energy: -201.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2328.532438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.532438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.532438 (E_RNA)
where:
Base-Base interactions energy: -1565.553
where: short stacking energy: -677.854
Base-Backbone interact. energy: 1.389
local terms energy: -764.368503
where:
bonds (distance) C4'-P energy: -139.124
bonds (distance) P-C4' energy: -146.768
flat angles C4'-P-C4' energy: -164.909
flat angles P-C4'-P energy: -111.754
tors. eta vs tors. theta energy: -201.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2341.691278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.691278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.691278 (E_RNA)
where:
Base-Base interactions energy: -1592.569
where: short stacking energy: -695.461
Base-Backbone interact. energy: -0.270
local terms energy: -748.852402
where:
bonds (distance) C4'-P energy: -146.093
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -166.041
flat angles P-C4'-P energy: -99.119
tors. eta vs tors. theta energy: -199.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1990.437037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.437037 (E_RNA)
where:
Base-Base interactions energy: -1336.623
where: short stacking energy: -590.125
Base-Backbone interact. energy: 1.927
local terms energy: -655.740422
where:
bonds (distance) C4'-P energy: -141.653
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -139.878
flat angles P-C4'-P energy: -94.225
tors. eta vs tors. theta energy: -150.399
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: 467
Temperature: 1.200000
Total energy: -1763.665548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.665548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.665548 (E_RNA)
where:
Base-Base interactions energy: -1141.770
where: short stacking energy: -505.547
Base-Backbone interact. energy: -1.628
local terms energy: -620.267029
where:
bonds (distance) C4'-P energy: -132.440
bonds (distance) P-C4' energy: -139.875
flat angles C4'-P-C4' energy: -140.175
flat angles P-C4'-P energy: -100.373
tors. eta vs tors. theta energy: -107.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1313.921865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.921865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.921865 (E_RNA)
where:
Base-Base interactions energy: -777.607
where: short stacking energy: -372.979
Base-Backbone interact. energy: 0.636
local terms energy: -536.951298
where:
bonds (distance) C4'-P energy: -129.551
bonds (distance) P-C4' energy: -129.307
flat angles C4'-P-C4' energy: -142.056
flat angles P-C4'-P energy: -91.263
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1103.542412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.542412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.542412 (E_RNA)
where:
Base-Base interactions energy: -601.339
where: short stacking energy: -295.222
Base-Backbone interact. energy: -1.673
local terms energy: -500.530650
where:
bonds (distance) C4'-P energy: -107.896
bonds (distance) P-C4' energy: -154.901
flat angles C4'-P-C4' energy: -132.260
flat angles P-C4'-P energy: -82.122
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -698.198725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.198725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.198725 (E_RNA)
where:
Base-Base interactions energy: -274.282
where: short stacking energy: -182.087
Base-Backbone interact. energy: -0.496
local terms energy: -423.421203
where:
bonds (distance) C4'-P energy: -137.300
bonds (distance) P-C4' energy: -145.925
flat angles C4'-P-C4' energy: -103.644
flat angles P-C4'-P energy: -58.518
tors. eta vs tors. theta energy: 21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2813.795658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.795658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.795658 (E_RNA)
where:
Base-Base interactions energy: -1940.338
where: short stacking energy: -781.670
Base-Backbone interact. energy: -1.957
local terms energy: -871.500457
where:
bonds (distance) C4'-P energy: -165.121
bonds (distance) P-C4' energy: -167.931
flat angles C4'-P-C4' energy: -180.334
flat angles P-C4'-P energy: -130.058
tors. eta vs tors. theta energy: -228.056
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2666.448861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.448861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.448861 (E_RNA)
where:
Base-Base interactions energy: -1820.956
where: short stacking energy: -803.046
Base-Backbone interact. energy: -1.678
local terms energy: -843.815366
where:
bonds (distance) C4'-P energy: -147.823
bonds (distance) P-C4' energy: -155.105
flat angles C4'-P-C4' energy: -178.104
flat angles P-C4'-P energy: -119.028
tors. eta vs tors. theta energy: -243.755
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2542.997003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.997003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.997003 (E_RNA)
where:
Base-Base interactions energy: -1766.165
where: short stacking energy: -722.909
Base-Backbone interact. energy: 0.017
local terms energy: -776.848406
where:
bonds (distance) C4'-P energy: -145.367
bonds (distance) P-C4' energy: -148.854
flat angles C4'-P-C4' energy: -172.152
flat angles P-C4'-P energy: -111.449
tors. eta vs tors. theta energy: -199.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2322.951913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.951913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.951913 (E_RNA)
where:
Base-Base interactions energy: -1520.308
where: short stacking energy: -651.102
Base-Backbone interact. energy: -1.825
local terms energy: -800.819213
where:
bonds (distance) C4'-P energy: -150.861
bonds (distance) P-C4' energy: -166.188
flat angles C4'-P-C4' energy: -167.043
flat angles P-C4'-P energy: -122.586
tors. eta vs tors. theta energy: -194.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2335.205099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.205099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.205099 (E_RNA)
where:
Base-Base interactions energy: -1577.646
where: short stacking energy: -665.062
Base-Backbone interact. energy: -0.216
local terms energy: -757.342925
where:
bonds (distance) C4'-P energy: -137.816
bonds (distance) P-C4' energy: -156.235
flat angles C4'-P-C4' energy: -158.074
flat angles P-C4'-P energy: -110.727
tors. eta vs tors. theta energy: -194.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1994.515624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.515624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.515624 (E_RNA)
where:
Base-Base interactions energy: -1296.842
where: short stacking energy: -597.709
Base-Backbone interact. energy: -0.835
local terms energy: -696.839022
where:
bonds (distance) C4'-P energy: -153.839
bonds (distance) P-C4' energy: -146.646
flat angles C4'-P-C4' energy: -161.374
flat angles P-C4'-P energy: -86.272
tors. eta vs tors. theta energy: -148.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1793.838122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.838122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.838122 (E_RNA)
where:
Base-Base interactions energy: -1160.258
where: short stacking energy: -511.433
Base-Backbone interact. energy: 4.725
local terms energy: -638.304849
where:
bonds (distance) C4'-P energy: -148.262
bonds (distance) P-C4' energy: -150.875
flat angles C4'-P-C4' energy: -143.838
flat angles P-C4'-P energy: -93.386
tors. eta vs tors. theta energy: -101.944
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: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1372.894181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.894181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.894181 (E_RNA)
where:
Base-Base interactions energy: -796.993
where: short stacking energy: -382.498
Base-Backbone interact. energy: -2.648
local terms energy: -573.253089
where:
bonds (distance) C4'-P energy: -146.438
bonds (distance) P-C4' energy: -149.848
flat angles C4'-P-C4' energy: -124.365
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -80.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1170.203739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.203739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.203739 (E_RNA)
where:
Base-Base interactions energy: -654.565
where: short stacking energy: -306.763
Base-Backbone interact. energy: -1.242
local terms energy: -514.396186
where:
bonds (distance) C4'-P energy: -126.089
bonds (distance) P-C4' energy: -143.216
flat angles C4'-P-C4' energy: -136.372
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: -30.053
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: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -691.770931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.770931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.770931 (E_RNA)
where:
Base-Base interactions energy: -292.915
where: short stacking energy: -188.607
Base-Backbone interact. energy: 0.630
local terms energy: -399.485960
where:
bonds (distance) C4'-P energy: -124.208
bonds (distance) P-C4' energy: -136.525
flat angles C4'-P-C4' energy: -110.814
flat angles P-C4'-P energy: -59.757
tors. eta vs tors. theta energy: 31.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2798.788184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.788184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.788184 (E_RNA)
where:
Base-Base interactions energy: -1963.394
where: short stacking energy: -789.355
Base-Backbone interact. energy: -2.714
local terms energy: -832.679750
where:
bonds (distance) C4'-P energy: -140.780
bonds (distance) P-C4' energy: -156.735
flat angles C4'-P-C4' energy: -194.173
flat angles P-C4'-P energy: -116.440
tors. eta vs tors. theta energy: -224.552
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: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2717.437633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.437633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.437633 (E_RNA)
where:
Base-Base interactions energy: -1851.716
where: short stacking energy: -810.557
Base-Backbone interact. energy: -0.371
local terms energy: -865.351183
where:
bonds (distance) C4'-P energy: -149.819
bonds (distance) P-C4' energy: -164.518
flat angles C4'-P-C4' energy: -192.826
flat angles P-C4'-P energy: -109.552
tors. eta vs tors. theta energy: -248.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2551.952215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.952215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.952215 (E_RNA)
where:
Base-Base interactions energy: -1789.126
where: short stacking energy: -735.061
Base-Backbone interact. energy: -4.120
local terms energy: -758.706380
where:
bonds (distance) C4'-P energy: -134.592
bonds (distance) P-C4' energy: -155.080
flat angles C4'-P-C4' energy: -168.421
flat angles P-C4'-P energy: -109.033
tors. eta vs tors. theta energy: -191.580
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2379.998196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.998196 (E_RNA)
where:
Base-Base interactions energy: -1616.243
where: short stacking energy: -714.455
Base-Backbone interact. energy: 2.031
local terms energy: -765.786223
where:
bonds (distance) C4'-P energy: -121.792
bonds (distance) P-C4' energy: -150.780
flat angles C4'-P-C4' energy: -161.783
flat angles P-C4'-P energy: -117.665
tors. eta vs tors. theta energy: -213.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2290.944031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.944031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.944031 (E_RNA)
where:
Base-Base interactions energy: -1547.206
where: short stacking energy: -683.614
Base-Backbone interact. energy: -2.966
local terms energy: -740.772693
where:
bonds (distance) C4'-P energy: -135.220
bonds (distance) P-C4' energy: -140.041
flat angles C4'-P-C4' energy: -165.842
flat angles P-C4'-P energy: -109.596
tors. eta vs tors. theta energy: -190.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2032.087471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.087471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.087471 (E_RNA)
where:
Base-Base interactions energy: -1331.747
where: short stacking energy: -576.102
Base-Backbone interact. energy: -4.100
local terms energy: -696.240850
where:
bonds (distance) C4'-P energy: -141.954
bonds (distance) P-C4' energy: -149.857
flat angles C4'-P-C4' energy: -146.532
flat angles P-C4'-P energy: -97.561
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1777.808051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.808051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.808051 (E_RNA)
where:
Base-Base interactions energy: -1125.398
where: short stacking energy: -509.009
Base-Backbone interact. energy: -1.084
local terms energy: -651.326444
where:
bonds (distance) C4'-P energy: -139.597
bonds (distance) P-C4' energy: -136.983
flat angles C4'-P-C4' energy: -155.741
flat angles P-C4'-P energy: -102.990
tors. eta vs tors. theta energy: -116.016
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: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1396.712129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.712129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.712129 (E_RNA)
where:
Base-Base interactions energy: -837.614
where: short stacking energy: -456.334
Base-Backbone interact. energy: 0.738
local terms energy: -559.835709
where:
bonds (distance) C4'-P energy: -119.076
bonds (distance) P-C4' energy: -124.104
flat angles C4'-P-C4' energy: -142.904
flat angles P-C4'-P energy: -72.114
tors. eta vs tors. theta energy: -101.638
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: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1169.437970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.437970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.437970 (E_RNA)
where:
Base-Base interactions energy: -693.524
where: short stacking energy: -321.543
Base-Backbone interact. energy: 2.729
local terms energy: -478.643147
where:
bonds (distance) C4'-P energy: -117.809
bonds (distance) P-C4' energy: -135.159
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -79.592
tors. eta vs tors. theta energy: -26.677
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: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -743.204806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.204806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.204806 (E_RNA)
where:
Base-Base interactions energy: -315.962
where: short stacking energy: -209.360
Base-Backbone interact. energy: 3.670
local terms energy: -430.912789
where:
bonds (distance) C4'-P energy: -152.007
bonds (distance) P-C4' energy: -156.975
flat angles C4'-P-C4' energy: -88.149
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: 39.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2799.904639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.904639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.904639 (E_RNA)
where:
Base-Base interactions energy: -1920.506
where: short stacking energy: -854.253
Base-Backbone interact. energy: -2.159
local terms energy: -877.239599
where:
bonds (distance) C4'-P energy: -169.035
bonds (distance) P-C4' energy: -145.015
flat angles C4'-P-C4' energy: -185.247
flat angles P-C4'-P energy: -125.818
tors. eta vs tors. theta energy: -252.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2725.802889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.802889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.802889 (E_RNA)
where:
Base-Base interactions energy: -1899.300
where: short stacking energy: -757.724
Base-Backbone interact. energy: 3.254
local terms energy: -829.756273
where:
bonds (distance) C4'-P energy: -160.117
bonds (distance) P-C4' energy: -165.139
flat angles C4'-P-C4' energy: -176.143
flat angles P-C4'-P energy: -111.895
tors. eta vs tors. theta energy: -216.462
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: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2541.233936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.233936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.233936 (E_RNA)
where:
Base-Base interactions energy: -1781.698
where: short stacking energy: -739.864
Base-Backbone interact. energy: -2.497
local terms energy: -757.039623
where:
bonds (distance) C4'-P energy: -151.736
bonds (distance) P-C4' energy: -143.752
flat angles C4'-P-C4' energy: -154.873
flat angles P-C4'-P energy: -101.530
tors. eta vs tors. theta energy: -205.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2429.494123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.494123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.494123 (E_RNA)
where:
Base-Base interactions energy: -1617.471
where: short stacking energy: -705.498
Base-Backbone interact. energy: -3.758
local terms energy: -808.264806
where:
bonds (distance) C4'-P energy: -150.610
bonds (distance) P-C4' energy: -148.455
flat angles C4'-P-C4' energy: -174.506
flat angles P-C4'-P energy: -123.848
tors. eta vs tors. theta energy: -210.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2279.807801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.807801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.807801 (E_RNA)
where:
Base-Base interactions energy: -1537.133
where: short stacking energy: -679.404
Base-Backbone interact. energy: -1.720
local terms energy: -740.954452
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -150.759
flat angles C4'-P-C4' energy: -155.552
flat angles P-C4'-P energy: -112.414
tors. eta vs tors. theta energy: -192.970
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2044.366475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.366475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.366475 (E_RNA)
where:
Base-Base interactions energy: -1382.493
where: short stacking energy: -607.964
Base-Backbone interact. energy: -1.245
local terms energy: -660.628572
where:
bonds (distance) C4'-P energy: -117.686
bonds (distance) P-C4' energy: -147.567
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -89.507
tors. eta vs tors. theta energy: -155.478
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: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1762.835649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.835649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.835649 (E_RNA)
where:
Base-Base interactions energy: -1159.325
where: short stacking energy: -527.956
Base-Backbone interact. energy: -2.779
local terms energy: -600.731257
where:
bonds (distance) C4'-P energy: -124.081
bonds (distance) P-C4' energy: -147.680
flat angles C4'-P-C4' energy: -141.750
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -117.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1276.958596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.958596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.958596 (E_RNA)
where:
Base-Base interactions energy: -739.591
where: short stacking energy: -338.832
Base-Backbone interact. energy: -0.608
local terms energy: -536.759521
where:
bonds (distance) C4'-P energy: -126.966
bonds (distance) P-C4' energy: -137.650
flat angles C4'-P-C4' energy: -128.498
flat angles P-C4'-P energy: -79.961
tors. eta vs tors. theta energy: -63.685
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: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1155.919364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.919364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.919364 (E_RNA)
where:
Base-Base interactions energy: -697.089
where: short stacking energy: -336.162
Base-Backbone interact. energy: -4.327
local terms energy: -454.503162
where:
bonds (distance) C4'-P energy: -119.500
bonds (distance) P-C4' energy: -121.063
flat angles C4'-P-C4' energy: -110.945
flat angles P-C4'-P energy: -68.476
tors. eta vs tors. theta energy: -34.519
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: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -707.004645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.004645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.004645 (E_RNA)
where:
Base-Base interactions energy: -306.434
where: short stacking energy: -193.368
Base-Backbone interact. energy: 3.449
local terms energy: -404.018979
where:
bonds (distance) C4'-P energy: -130.195
bonds (distance) P-C4' energy: -114.357
flat angles C4'-P-C4' energy: -106.128
flat angles P-C4'-P energy: -79.164
tors. eta vs tors. theta energy: 25.825
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: 471
Temperature: 0.900000
Total energy: -2751.129151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.129151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.129151 (E_RNA)
where:
Base-Base interactions energy: -1878.365
where: short stacking energy: -821.373
Base-Backbone interact. energy: -3.066
local terms energy: -869.698672
where:
bonds (distance) C4'-P energy: -153.633
bonds (distance) P-C4' energy: -173.266
flat angles C4'-P-C4' energy: -172.397
flat angles P-C4'-P energy: -128.453
tors. eta vs tors. theta energy: -241.949
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: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2726.705767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.705767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.705767 (E_RNA)
where:
Base-Base interactions energy: -1900.633
where: short stacking energy: -766.355
Base-Backbone interact. energy: -1.418
local terms energy: -824.654845
where:
bonds (distance) C4'-P energy: -146.032
bonds (distance) P-C4' energy: -161.435
flat angles C4'-P-C4' energy: -186.021
flat angles P-C4'-P energy: -112.940
tors. eta vs tors. theta energy: -218.227
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: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2603.890176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.890176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.890176 (E_RNA)
where:
Base-Base interactions energy: -1804.915
where: short stacking energy: -739.005
Base-Backbone interact. energy: -1.151
local terms energy: -797.824416
where:
bonds (distance) C4'-P energy: -131.928
bonds (distance) P-C4' energy: -165.843
flat angles C4'-P-C4' energy: -170.480
flat angles P-C4'-P energy: -115.308
tors. eta vs tors. theta energy: -214.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2376.965983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.965983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.965983 (E_RNA)
where:
Base-Base interactions energy: -1596.133
where: short stacking energy: -672.789
Base-Backbone interact. energy: -2.662
local terms energy: -778.170629
where:
bonds (distance) C4'-P energy: -134.821
bonds (distance) P-C4' energy: -159.228
flat angles C4'-P-C4' energy: -170.750
flat angles P-C4'-P energy: -110.165
tors. eta vs tors. theta energy: -203.206
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2301.870446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.870446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.870446 (E_RNA)
where:
Base-Base interactions energy: -1540.092
where: short stacking energy: -653.103
Base-Backbone interact. energy: 1.646
local terms energy: -763.424089
where:
bonds (distance) C4'-P energy: -138.370
bonds (distance) P-C4' energy: -154.034
flat angles C4'-P-C4' energy: -165.412
flat angles P-C4'-P energy: -101.244
tors. eta vs tors. theta energy: -204.364
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2087.138458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.138458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.138458 (E_RNA)
where:
Base-Base interactions energy: -1395.666
where: short stacking energy: -616.139
Base-Backbone interact. energy: -2.665
local terms energy: -688.807334
where:
bonds (distance) C4'-P energy: -148.090
bonds (distance) P-C4' energy: -127.374
flat angles C4'-P-C4' energy: -144.205
flat angles P-C4'-P energy: -90.525
tors. eta vs tors. theta energy: -178.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1811.535308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.535308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.535308 (E_RNA)
where:
Base-Base interactions energy: -1161.956
where: short stacking energy: -543.168
Base-Backbone interact. energy: 1.231
local terms energy: -650.810770
where:
bonds (distance) C4'-P energy: -139.120
bonds (distance) P-C4' energy: -134.131
flat angles C4'-P-C4' energy: -168.198
flat angles P-C4'-P energy: -86.244
tors. eta vs tors. theta energy: -123.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1303.395728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.395728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.395728 (E_RNA)
where:
Base-Base interactions energy: -784.580
where: short stacking energy: -401.506
Base-Backbone interact. energy: -0.397
local terms energy: -518.419663
where:
bonds (distance) C4'-P energy: -133.741
bonds (distance) P-C4' energy: -125.035
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -81.259
tors. eta vs tors. theta energy: -62.782
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1188.568481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.568481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.568481 (E_RNA)
where:
Base-Base interactions energy: -687.314
where: short stacking energy: -334.408
Base-Backbone interact. energy: -0.094
local terms energy: -501.160349
where:
bonds (distance) C4'-P energy: -124.741
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -137.140
flat angles P-C4'-P energy: -80.041
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -678.089456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.089456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.089456 (E_RNA)
where:
Base-Base interactions energy: -286.602
where: short stacking energy: -184.128
Base-Backbone interact. energy: -2.911
local terms energy: -388.576044
where:
bonds (distance) C4'-P energy: -102.493
bonds (distance) P-C4' energy: -131.162
flat angles C4'-P-C4' energy: -121.814
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: 17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2776.523804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.523804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.523804 (E_RNA)
where:
Base-Base interactions energy: -1906.582
where: short stacking energy: -797.057
Base-Backbone interact. energy: -0.771
local terms energy: -869.171615
where:
bonds (distance) C4'-P energy: -155.482
bonds (distance) P-C4' energy: -180.193
flat angles C4'-P-C4' energy: -172.471
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -243.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2737.232288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.232288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.232288 (E_RNA)
where:
Base-Base interactions energy: -1911.244
where: short stacking energy: -773.267
Base-Backbone interact. energy: -0.335
local terms energy: -825.652970
where:
bonds (distance) C4'-P energy: -155.810
bonds (distance) P-C4' energy: -152.900
flat angles C4'-P-C4' energy: -183.181
flat angles P-C4'-P energy: -117.476
tors. eta vs tors. theta energy: -216.286
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: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2552.787405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.787405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.787405 (E_RNA)
where:
Base-Base interactions energy: -1795.919
where: short stacking energy: -746.020
Base-Backbone interact. energy: 4.005
local terms energy: -760.873709
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -168.934
flat angles C4'-P-C4' energy: -159.850
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -206.371
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: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2440.572485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.572485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.572485 (E_RNA)
where:
Base-Base interactions energy: -1648.344
where: short stacking energy: -721.649
Base-Backbone interact. energy: -3.954
local terms energy: -788.274525
where:
bonds (distance) C4'-P energy: -134.586
bonds (distance) P-C4' energy: -171.860
flat angles C4'-P-C4' energy: -162.861
flat angles P-C4'-P energy: -121.938
tors. eta vs tors. theta energy: -197.029
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2261.743929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.743929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.743929 (E_RNA)
where:
Base-Base interactions energy: -1500.786
where: short stacking energy: -653.878
Base-Backbone interact. energy: 2.587
local terms energy: -763.545168
where:
bonds (distance) C4'-P energy: -151.803
bonds (distance) P-C4' energy: -168.816
flat angles C4'-P-C4' energy: -164.629
flat angles P-C4'-P energy: -96.551
tors. eta vs tors. theta energy: -181.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2037.344162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.344162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.344162 (E_RNA)
where:
Base-Base interactions energy: -1309.811
where: short stacking energy: -570.973
Base-Backbone interact. energy: -3.153
local terms energy: -724.380194
where:
bonds (distance) C4'-P energy: -145.456
bonds (distance) P-C4' energy: -159.978
flat angles C4'-P-C4' energy: -157.898
flat angles P-C4'-P energy: -104.825
tors. eta vs tors. theta energy: -156.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1776.018112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.018112 (E_RNA)
where:
Base-Base interactions energy: -1146.396
where: short stacking energy: -518.588
Base-Backbone interact. energy: 2.311
local terms energy: -631.932500
where:
bonds (distance) C4'-P energy: -123.905
bonds (distance) P-C4' energy: -160.634
flat angles C4'-P-C4' energy: -146.352
flat angles P-C4'-P energy: -67.532
tors. eta vs tors. theta energy: -133.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1332.166307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.166307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.166307 (E_RNA)
where:
Base-Base interactions energy: -763.812
where: short stacking energy: -362.253
Base-Backbone interact. energy: 2.388
local terms energy: -571.071292
where:
bonds (distance) C4'-P energy: -143.379
bonds (distance) P-C4' energy: -133.976
flat angles C4'-P-C4' energy: -146.712
flat angles P-C4'-P energy: -89.843
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: 0.329 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1169.995590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.995590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.995590 (E_RNA)
where:
Base-Base interactions energy: -679.185
where: short stacking energy: -314.699
Base-Backbone interact. energy: 0.617
local terms energy: -491.427226
where:
bonds (distance) C4'-P energy: -126.075
bonds (distance) P-C4' energy: -140.221
flat angles C4'-P-C4' energy: -123.537
flat angles P-C4'-P energy: -63.548
tors. eta vs tors. theta energy: -38.047
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: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -736.099352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.099352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.099352 (E_RNA)
where:
Base-Base interactions energy: -341.296
where: short stacking energy: -236.721
Base-Backbone interact. energy: 4.013
local terms energy: -398.816276
where:
bonds (distance) C4'-P energy: -105.196
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -110.839
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2753.413292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.413292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.413292 (E_RNA)
where:
Base-Base interactions energy: -1863.315
where: short stacking energy: -807.703
Base-Backbone interact. energy: -5.258
local terms energy: -884.839674
where:
bonds (distance) C4'-P energy: -169.148
bonds (distance) P-C4' energy: -166.051
flat angles C4'-P-C4' energy: -185.447
flat angles P-C4'-P energy: -124.018
tors. eta vs tors. theta energy: -240.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2710.871692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.871692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.871692 (E_RNA)
where:
Base-Base interactions energy: -1875.228
where: short stacking energy: -744.498
Base-Backbone interact. energy: -2.081
local terms energy: -833.563067
where:
bonds (distance) C4'-P energy: -139.538
bonds (distance) P-C4' energy: -172.117
flat angles C4'-P-C4' energy: -180.430
flat angles P-C4'-P energy: -129.826
tors. eta vs tors. theta energy: -211.651
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: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2599.287894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.287894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.287894 (E_RNA)
where:
Base-Base interactions energy: -1801.539
where: short stacking energy: -737.725
Base-Backbone interact. energy: 1.404
local terms energy: -799.152410
where:
bonds (distance) C4'-P energy: -163.437
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -174.533
flat angles P-C4'-P energy: -108.235
tors. eta vs tors. theta energy: -208.978
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2440.848991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.848991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.848991 (E_RNA)
where:
Base-Base interactions energy: -1642.630
where: short stacking energy: -691.309
Base-Backbone interact. energy: -3.413
local terms energy: -794.806153
where:
bonds (distance) C4'-P energy: -147.245
bonds (distance) P-C4' energy: -162.262
flat angles C4'-P-C4' energy: -178.393
flat angles P-C4'-P energy: -106.773
tors. eta vs tors. theta energy: -200.134
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2293.280819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.280819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.280819 (E_RNA)
where:
Base-Base interactions energy: -1548.803
where: short stacking energy: -668.402
Base-Backbone interact. energy: 0.893
local terms energy: -745.370806
where:
bonds (distance) C4'-P energy: -139.302
bonds (distance) P-C4' energy: -134.603
flat angles C4'-P-C4' energy: -168.683
flat angles P-C4'-P energy: -106.872
tors. eta vs tors. theta energy: -195.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1948.312774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.312774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.312774 (E_RNA)
where:
Base-Base interactions energy: -1295.383
where: short stacking energy: -558.189
Base-Backbone interact. energy: -5.333
local terms energy: -647.596372
where:
bonds (distance) C4'-P energy: -125.416
bonds (distance) P-C4' energy: -130.827
flat angles C4'-P-C4' energy: -156.756
flat angles P-C4'-P energy: -92.302
tors. eta vs tors. theta energy: -142.295
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: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1720.031684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.031684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.031684 (E_RNA)
where:
Base-Base interactions energy: -1071.427
where: short stacking energy: -490.377
Base-Backbone interact. energy: 2.404
local terms energy: -651.008167
where:
bonds (distance) C4'-P energy: -139.037
bonds (distance) P-C4' energy: -147.375
flat angles C4'-P-C4' energy: -146.544
flat angles P-C4'-P energy: -102.802
tors. eta vs tors. theta energy: -115.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1271.546241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.546241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.546241 (E_RNA)
where:
Base-Base interactions energy: -698.311
where: short stacking energy: -335.104
Base-Backbone interact. energy: -0.982
local terms energy: -572.253260
where:
bonds (distance) C4'-P energy: -148.623
bonds (distance) P-C4' energy: -131.752
flat angles C4'-P-C4' energy: -144.777
flat angles P-C4'-P energy: -81.938
tors. eta vs tors. theta energy: -65.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1144.275964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.275964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.275964 (E_RNA)
where:
Base-Base interactions energy: -643.900
where: short stacking energy: -307.584
Base-Backbone interact. energy: 0.424
local terms energy: -500.800200
where:
bonds (distance) C4'-P energy: -123.392
bonds (distance) P-C4' energy: -156.889
flat angles C4'-P-C4' energy: -109.551
flat angles P-C4'-P energy: -87.137
tors. eta vs tors. theta energy: -23.831
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -752.108233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.108233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.108233 (E_RNA)
where:
Base-Base interactions energy: -320.517
where: short stacking energy: -206.924
Base-Backbone interact. energy: 1.413
local terms energy: -433.004808
where:
bonds (distance) C4'-P energy: -120.691
bonds (distance) P-C4' energy: -139.947
flat angles C4'-P-C4' energy: -112.901
flat angles P-C4'-P energy: -80.730
tors. eta vs tors. theta energy: 21.265
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: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2776.093098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.093098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.093098 (E_RNA)
where:
Base-Base interactions energy: -1894.930
where: short stacking energy: -805.978
Base-Backbone interact. energy: -1.903
local terms energy: -879.259722
where:
bonds (distance) C4'-P energy: -142.884
bonds (distance) P-C4' energy: -172.562
flat angles C4'-P-C4' energy: -189.088
flat angles P-C4'-P energy: -131.619
tors. eta vs tors. theta energy: -243.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2745.626037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.626037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.626037 (E_RNA)
where:
Base-Base interactions energy: -1921.799
where: short stacking energy: -764.756
Base-Backbone interact. energy: -5.018
local terms energy: -818.808800
where:
bonds (distance) C4'-P energy: -147.719
bonds (distance) P-C4' energy: -159.101
flat angles C4'-P-C4' energy: -175.140
flat angles P-C4'-P energy: -103.890
tors. eta vs tors. theta energy: -232.958
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: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2584.038425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.038425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.038425 (E_RNA)
where:
Base-Base interactions energy: -1789.250
where: short stacking energy: -748.398
Base-Backbone interact. energy: -6.903
local terms energy: -787.884808
where:
bonds (distance) C4'-P energy: -145.719
bonds (distance) P-C4' energy: -153.683
flat angles C4'-P-C4' energy: -167.002
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -215.137
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: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2417.548151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.548151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.548151 (E_RNA)
where:
Base-Base interactions energy: -1646.016
where: short stacking energy: -696.903
Base-Backbone interact. energy: -4.966
local terms energy: -766.566290
where:
bonds (distance) C4'-P energy: -113.883
bonds (distance) P-C4' energy: -155.721
flat angles C4'-P-C4' energy: -182.087
flat angles P-C4'-P energy: -110.680
tors. eta vs tors. theta energy: -204.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2290.792120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.792120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.792120 (E_RNA)
where:
Base-Base interactions energy: -1552.891
where: short stacking energy: -698.416
Base-Backbone interact. energy: -0.806
local terms energy: -737.095393
where:
bonds (distance) C4'-P energy: -132.838
bonds (distance) P-C4' energy: -142.127
flat angles C4'-P-C4' energy: -163.334
flat angles P-C4'-P energy: -91.317
tors. eta vs tors. theta energy: -207.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1910.196664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.196664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.196664 (E_RNA)
where:
Base-Base interactions energy: -1246.255
where: short stacking energy: -556.879
Base-Backbone interact. energy: -3.055
local terms energy: -660.886133
where:
bonds (distance) C4'-P energy: -135.531
bonds (distance) P-C4' energy: -128.601
flat angles C4'-P-C4' energy: -167.596
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -139.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1682.403900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.403900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.403900 (E_RNA)
where:
Base-Base interactions energy: -1037.501
where: short stacking energy: -501.314
Base-Backbone interact. energy: -0.583
local terms energy: -644.319469
where:
bonds (distance) C4'-P energy: -146.176
bonds (distance) P-C4' energy: -136.578
flat angles C4'-P-C4' energy: -150.424
flat angles P-C4'-P energy: -80.933
tors. eta vs tors. theta energy: -130.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1320.597804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.597804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.597804 (E_RNA)
where:
Base-Base interactions energy: -771.947
where: short stacking energy: -367.225
Base-Backbone interact. energy: -4.100
local terms energy: -544.551345
where:
bonds (distance) C4'-P energy: -142.353
bonds (distance) P-C4' energy: -151.334
flat angles C4'-P-C4' energy: -121.761
flat angles P-C4'-P energy: -69.424
tors. eta vs tors. theta energy: -59.680
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: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1186.255956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.255956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.255956 (E_RNA)
where:
Base-Base interactions energy: -663.076
where: short stacking energy: -319.856
Base-Backbone interact. energy: -0.590
local terms energy: -522.589397
where:
bonds (distance) C4'-P energy: -117.078
bonds (distance) P-C4' energy: -148.714
flat angles C4'-P-C4' energy: -142.797
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: -30.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -750.177142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.177142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.177142 (E_RNA)
where:
Base-Base interactions energy: -315.978
where: short stacking energy: -213.793
Base-Backbone interact. energy: 1.365
local terms energy: -435.564000
where:
bonds (distance) C4'-P energy: -126.378
bonds (distance) P-C4' energy: -132.840
flat angles C4'-P-C4' energy: -119.289
flat angles P-C4'-P energy: -72.006
tors. eta vs tors. theta energy: 14.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2788.299178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.299178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.299178 (E_RNA)
where:
Base-Base interactions energy: -1906.212
where: short stacking energy: -821.689
Base-Backbone interact. energy: -3.076
local terms energy: -879.011251
where:
bonds (distance) C4'-P energy: -159.063
bonds (distance) P-C4' energy: -143.784
flat angles C4'-P-C4' energy: -194.666
flat angles P-C4'-P energy: -131.687
tors. eta vs tors. theta energy: -249.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2736.509872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.509872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.509872 (E_RNA)
where:
Base-Base interactions energy: -1897.929
where: short stacking energy: -771.674
Base-Backbone interact. energy: -4.287
local terms energy: -834.294096
where:
bonds (distance) C4'-P energy: -149.727
bonds (distance) P-C4' energy: -164.227
flat angles C4'-P-C4' energy: -179.449
flat angles P-C4'-P energy: -114.362
tors. eta vs tors. theta energy: -226.528
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: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2542.824666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.824666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.824666 (E_RNA)
where:
Base-Base interactions energy: -1776.778
where: short stacking energy: -721.165
Base-Backbone interact. energy: -4.224
local terms energy: -761.822406
where:
bonds (distance) C4'-P energy: -153.700
bonds (distance) P-C4' energy: -114.028
flat angles C4'-P-C4' energy: -168.539
flat angles P-C4'-P energy: -118.090
tors. eta vs tors. theta energy: -207.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2453.988594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.988594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.988594 (E_RNA)
where:
Base-Base interactions energy: -1636.793
where: short stacking energy: -665.711
Base-Backbone interact. energy: 0.272
local terms energy: -817.467782
where:
bonds (distance) C4'-P energy: -161.238
bonds (distance) P-C4' energy: -154.883
flat angles C4'-P-C4' energy: -180.368
flat angles P-C4'-P energy: -122.694
tors. eta vs tors. theta energy: -198.285
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: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2238.246356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.246356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.246356 (E_RNA)
where:
Base-Base interactions energy: -1490.129
where: short stacking energy: -623.099
Base-Backbone interact. energy: -4.718
local terms energy: -743.399148
where:
bonds (distance) C4'-P energy: -160.602
bonds (distance) P-C4' energy: -128.402
flat angles C4'-P-C4' energy: -151.039
flat angles P-C4'-P energy: -118.740
tors. eta vs tors. theta energy: -184.617
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1924.102025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.102025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.102025 (E_RNA)
where:
Base-Base interactions energy: -1295.324
where: short stacking energy: -553.274
Base-Backbone interact. energy: -1.746
local terms energy: -627.032122
where:
bonds (distance) C4'-P energy: -141.938
bonds (distance) P-C4' energy: -134.462
flat angles C4'-P-C4' energy: -133.991
flat angles P-C4'-P energy: -87.727
tors. eta vs tors. theta energy: -128.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1617.689280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.689280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.689280 (E_RNA)
where:
Base-Base interactions energy: -1002.524
where: short stacking energy: -435.539
Base-Backbone interact. energy: 2.792
local terms energy: -617.956744
where:
bonds (distance) C4'-P energy: -145.589
bonds (distance) P-C4' energy: -157.559
flat angles C4'-P-C4' energy: -134.553
flat angles P-C4'-P energy: -84.497
tors. eta vs tors. theta energy: -95.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1330.421677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.421677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.421677 (E_RNA)
where:
Base-Base interactions energy: -780.599
where: short stacking energy: -389.301
Base-Backbone interact. energy: 7.252
local terms energy: -557.074253
where:
bonds (distance) C4'-P energy: -140.680
bonds (distance) P-C4' energy: -148.724
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -82.339
tors. eta vs tors. theta energy: -43.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1179.654339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.654339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.654339 (E_RNA)
where:
Base-Base interactions energy: -690.405
where: short stacking energy: -318.204
Base-Backbone interact. energy: -2.985
local terms energy: -486.265041
where:
bonds (distance) C4'-P energy: -137.749
bonds (distance) P-C4' energy: -130.265
flat angles C4'-P-C4' energy: -110.023
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: -41.864
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: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -808.951736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.951736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.951736 (E_RNA)
where:
Base-Base interactions energy: -361.504
where: short stacking energy: -219.153
Base-Backbone interact. energy: -1.171
local terms energy: -446.277055
where:
bonds (distance) C4'-P energy: -137.313
bonds (distance) P-C4' energy: -140.712
flat angles C4'-P-C4' energy: -108.634
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: 13.404
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: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2758.975880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.975880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.975880 (E_RNA)
where:
Base-Base interactions energy: -1899.013
where: short stacking energy: -832.527
Base-Backbone interact. energy: -3.672
local terms energy: -856.290389
where:
bonds (distance) C4'-P energy: -156.923
bonds (distance) P-C4' energy: -141.648
flat angles C4'-P-C4' energy: -182.607
flat angles P-C4'-P energy: -123.790
tors. eta vs tors. theta energy: -251.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2718.910399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.910399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.910399 (E_RNA)
where:
Base-Base interactions energy: -1903.144
where: short stacking energy: -780.919
Base-Backbone interact. energy: -1.977
local terms energy: -813.788877
where:
bonds (distance) C4'-P energy: -135.725
bonds (distance) P-C4' energy: -141.366
flat angles C4'-P-C4' energy: -186.616
flat angles P-C4'-P energy: -130.697
tors. eta vs tors. theta energy: -219.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2585.283717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.283717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.283717 (E_RNA)
where:
Base-Base interactions energy: -1779.272
where: short stacking energy: -729.311
Base-Backbone interact. energy: 0.052
local terms energy: -806.063888
where:
bonds (distance) C4'-P energy: -156.133
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -166.849
flat angles P-C4'-P energy: -115.300
tors. eta vs tors. theta energy: -202.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2464.837159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.837159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.837159 (E_RNA)
where:
Base-Base interactions energy: -1665.779
where: short stacking energy: -733.861
Base-Backbone interact. energy: 1.015
local terms energy: -800.178221
where:
bonds (distance) C4'-P energy: -144.187
bonds (distance) P-C4' energy: -153.934
flat angles C4'-P-C4' energy: -177.340
flat angles P-C4'-P energy: -116.883
tors. eta vs tors. theta energy: -207.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2288.102320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.102320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.102320 (E_RNA)
where:
Base-Base interactions energy: -1540.762
where: short stacking energy: -657.957
Base-Backbone interact. energy: 2.174
local terms energy: -749.515230
where:
bonds (distance) C4'-P energy: -127.372
bonds (distance) P-C4' energy: -144.471
flat angles C4'-P-C4' energy: -151.129
flat angles P-C4'-P energy: -118.895
tors. eta vs tors. theta energy: -207.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1959.222397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.222397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.222397 (E_RNA)
where:
Base-Base interactions energy: -1288.584
where: short stacking energy: -577.558
Base-Backbone interact. energy: -2.003
local terms energy: -668.635338
where:
bonds (distance) C4'-P energy: -126.187
bonds (distance) P-C4' energy: -147.413
flat angles C4'-P-C4' energy: -153.282
flat angles P-C4'-P energy: -97.928
tors. eta vs tors. theta energy: -143.824
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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1639.054936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.054936 (E_RNA)
where:
Base-Base interactions energy: -1031.897
where: short stacking energy: -479.948
Base-Backbone interact. energy: -2.699
local terms energy: -604.458911
where:
bonds (distance) C4'-P energy: -112.611
bonds (distance) P-C4' energy: -148.959
flat angles C4'-P-C4' energy: -143.993
flat angles P-C4'-P energy: -94.386
tors. eta vs tors. theta energy: -104.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1293.096625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.096625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.096625 (E_RNA)
where:
Base-Base interactions energy: -758.652
where: short stacking energy: -369.916
Base-Backbone interact. energy: 1.094
local terms energy: -535.538477
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -147.081
flat angles C4'-P-C4' energy: -138.707
flat angles P-C4'-P energy: -74.330
tors. eta vs tors. theta energy: -64.810
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: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1148.748858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.748858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.748858 (E_RNA)
where:
Base-Base interactions energy: -656.003
where: short stacking energy: -322.570
Base-Backbone interact. energy: -0.242
local terms energy: -492.504157
where:
bonds (distance) C4'-P energy: -125.373
bonds (distance) P-C4' energy: -141.433
flat angles C4'-P-C4' energy: -132.469
flat angles P-C4'-P energy: -59.497
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -728.512359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.512359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.512359 (E_RNA)
where:
Base-Base interactions energy: -336.083
where: short stacking energy: -193.188
Base-Backbone interact. energy: 1.422
local terms energy: -393.851698
where:
bonds (distance) C4'-P energy: -133.618
bonds (distance) P-C4' energy: -125.518
flat angles C4'-P-C4' energy: -107.582
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: 15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2753.380978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.380978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.380978 (E_RNA)
where:
Base-Base interactions energy: -1892.634
where: short stacking energy: -806.864
Base-Backbone interact. energy: -2.509
local terms energy: -858.238600
where:
bonds (distance) C4'-P energy: -164.346
bonds (distance) P-C4' energy: -166.749
flat angles C4'-P-C4' energy: -183.311
flat angles P-C4'-P energy: -119.778
tors. eta vs tors. theta energy: -224.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2696.742866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.742866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.742866 (E_RNA)
where:
Base-Base interactions energy: -1864.610
where: short stacking energy: -742.596
Base-Backbone interact. energy: -1.774
local terms energy: -830.358899
where:
bonds (distance) C4'-P energy: -162.209
bonds (distance) P-C4' energy: -144.349
flat angles C4'-P-C4' energy: -186.489
flat angles P-C4'-P energy: -120.560
tors. eta vs tors. theta energy: -216.753
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: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2614.753053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.753053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.753053 (E_RNA)
where:
Base-Base interactions energy: -1833.951
where: short stacking energy: -733.766
Base-Backbone interact. energy: -3.861
local terms energy: -776.941919
where:
bonds (distance) C4'-P energy: -144.110
bonds (distance) P-C4' energy: -158.212
flat angles C4'-P-C4' energy: -169.102
flat angles P-C4'-P energy: -92.886
tors. eta vs tors. theta energy: -212.632
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2453.947554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.947554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.947554 (E_RNA)
where:
Base-Base interactions energy: -1687.968
where: short stacking energy: -714.417
Base-Backbone interact. energy: -0.632
local terms energy: -765.347665
where:
bonds (distance) C4'-P energy: -137.432
bonds (distance) P-C4' energy: -149.878
flat angles C4'-P-C4' energy: -165.927
flat angles P-C4'-P energy: -110.586
tors. eta vs tors. theta energy: -201.524
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: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2281.671614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.671614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.671614 (E_RNA)
where:
Base-Base interactions energy: -1504.309
where: short stacking energy: -672.966
Base-Backbone interact. energy: -1.349
local terms energy: -776.013768
where:
bonds (distance) C4'-P energy: -137.546
bonds (distance) P-C4' energy: -152.313
flat angles C4'-P-C4' energy: -169.489
flat angles P-C4'-P energy: -109.466
tors. eta vs tors. theta energy: -207.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1997.739622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.739622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.739622 (E_RNA)
where:
Base-Base interactions energy: -1352.527
where: short stacking energy: -594.179
Base-Backbone interact. energy: -2.499
local terms energy: -642.713619
where:
bonds (distance) C4'-P energy: -124.896
bonds (distance) P-C4' energy: -140.951
flat angles C4'-P-C4' energy: -129.989
flat angles P-C4'-P energy: -89.235
tors. eta vs tors. theta energy: -157.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1658.023317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.023317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.023317 (E_RNA)
where:
Base-Base interactions energy: -1066.043
where: short stacking energy: -483.316
Base-Backbone interact. energy: -0.674
local terms energy: -591.306045
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -155.628
flat angles C4'-P-C4' energy: -136.251
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -96.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1307.948965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.948965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.948965 (E_RNA)
where:
Base-Base interactions energy: -782.722
where: short stacking energy: -379.626
Base-Backbone interact. energy: -1.032
local terms energy: -524.195156
where:
bonds (distance) C4'-P energy: -125.019
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -111.957
flat angles P-C4'-P energy: -92.060
tors. eta vs tors. theta energy: -57.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1123.254806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.254806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.254806 (E_RNA)
where:
Base-Base interactions energy: -649.307
where: short stacking energy: -306.996
Base-Backbone interact. energy: -2.349
local terms energy: -471.598975
where:
bonds (distance) C4'-P energy: -115.319
bonds (distance) P-C4' energy: -155.976
flat angles C4'-P-C4' energy: -95.246
flat angles P-C4'-P energy: -81.931
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -743.264082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.264082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.264082 (E_RNA)
where:
Base-Base interactions energy: -312.219
where: short stacking energy: -198.639
Base-Backbone interact. energy: 2.527
local terms energy: -433.571486
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -153.414
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: 20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2711.694813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.694813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.694813 (E_RNA)
where:
Base-Base interactions energy: -1838.208
where: short stacking energy: -803.597
Base-Backbone interact. energy: -1.928
local terms energy: -871.558480
where:
bonds (distance) C4'-P energy: -165.854
bonds (distance) P-C4' energy: -142.905
flat angles C4'-P-C4' energy: -192.020
flat angles P-C4'-P energy: -130.186
tors. eta vs tors. theta energy: -240.594
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2707.168436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.168436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.168436 (E_RNA)
where:
Base-Base interactions energy: -1899.509
where: short stacking energy: -758.852
Base-Backbone interact. energy: -3.752
local terms energy: -803.907781
where:
bonds (distance) C4'-P energy: -146.806
bonds (distance) P-C4' energy: -160.950
flat angles C4'-P-C4' energy: -164.232
flat angles P-C4'-P energy: -113.584
tors. eta vs tors. theta energy: -218.335
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2603.017153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.017153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.017153 (E_RNA)
where:
Base-Base interactions energy: -1815.519
where: short stacking energy: -736.750
Base-Backbone interact. energy: -1.710
local terms energy: -785.788606
where:
bonds (distance) C4'-P energy: -147.982
bonds (distance) P-C4' energy: -155.295
flat angles C4'-P-C4' energy: -161.853
flat angles P-C4'-P energy: -101.356
tors. eta vs tors. theta energy: -219.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2427.549611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.549611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.549611 (E_RNA)
where:
Base-Base interactions energy: -1660.848
where: short stacking energy: -697.891
Base-Backbone interact. energy: -5.390
local terms energy: -761.311167
where:
bonds (distance) C4'-P energy: -126.233
bonds (distance) P-C4' energy: -156.534
flat angles C4'-P-C4' energy: -167.829
flat angles P-C4'-P energy: -111.071
tors. eta vs tors. theta energy: -199.645
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: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2279.564942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.564942 (E_RNA)
where:
Base-Base interactions energy: -1492.220
where: short stacking energy: -644.613
Base-Backbone interact. energy: 0.853
local terms energy: -788.279413
where:
bonds (distance) C4'-P energy: -138.795
bonds (distance) P-C4' energy: -165.935
flat angles C4'-P-C4' energy: -178.401
flat angles P-C4'-P energy: -114.176
tors. eta vs tors. theta energy: -190.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.082 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2008.335939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.335939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.335939 (E_RNA)
where:
Base-Base interactions energy: -1316.927
where: short stacking energy: -561.869
Base-Backbone interact. energy: -2.738
local terms energy: -688.670927
where:
bonds (distance) C4'-P energy: -159.212
bonds (distance) P-C4' energy: -136.749
flat angles C4'-P-C4' energy: -146.001
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -148.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1644.653015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.653015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.653015 (E_RNA)
where:
Base-Base interactions energy: -1053.355
where: short stacking energy: -473.573
Base-Backbone interact. energy: 5.612
local terms energy: -596.910806
where:
bonds (distance) C4'-P energy: -136.117
bonds (distance) P-C4' energy: -136.412
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -76.523
tors. eta vs tors. theta energy: -106.925
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1298.922049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.922049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.922049 (E_RNA)
where:
Base-Base interactions energy: -758.861
where: short stacking energy: -359.696
Base-Backbone interact. energy: -3.238
local terms energy: -536.823020
where:
bonds (distance) C4'-P energy: -105.165
bonds (distance) P-C4' energy: -153.431
flat angles C4'-P-C4' energy: -136.949
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -62.867
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: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1178.880024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.880024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.880024 (E_RNA)
where:
Base-Base interactions energy: -694.258
where: short stacking energy: -343.277
Base-Backbone interact. energy: 1.647
local terms energy: -486.269438
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -77.173
tors. eta vs tors. theta energy: -37.502
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: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -759.099260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.099260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.099260 (E_RNA)
where:
Base-Base interactions energy: -376.635
where: short stacking energy: -218.751
Base-Backbone interact. energy: 2.788
local terms energy: -385.252247
where:
bonds (distance) C4'-P energy: -126.972
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -89.368
flat angles P-C4'-P energy: -54.792
tors. eta vs tors. theta energy: 24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2723.122082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.122082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.122082 (E_RNA)
where:
Base-Base interactions energy: -1846.809
where: short stacking energy: -764.014
Base-Backbone interact. energy: -4.028
local terms energy: -872.285523
where:
bonds (distance) C4'-P energy: -179.370
bonds (distance) P-C4' energy: -162.629
flat angles C4'-P-C4' energy: -182.721
flat angles P-C4'-P energy: -113.065
tors. eta vs tors. theta energy: -234.500
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2711.882407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.882407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.882407 (E_RNA)
where:
Base-Base interactions energy: -1912.556
where: short stacking energy: -777.203
Base-Backbone interact. energy: 1.298
local terms energy: -800.624378
where:
bonds (distance) C4'-P energy: -142.148
bonds (distance) P-C4' energy: -166.752
flat angles C4'-P-C4' energy: -159.354
flat angles P-C4'-P energy: -117.700
tors. eta vs tors. theta energy: -214.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2591.029807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.029807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.029807 (E_RNA)
where:
Base-Base interactions energy: -1777.258
where: short stacking energy: -738.135
Base-Backbone interact. energy: -3.701
local terms energy: -810.070760
where:
bonds (distance) C4'-P energy: -148.041
bonds (distance) P-C4' energy: -170.023
flat angles C4'-P-C4' energy: -175.978
flat angles P-C4'-P energy: -107.147
tors. eta vs tors. theta energy: -208.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2410.152392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.152392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.152392 (E_RNA)
where:
Base-Base interactions energy: -1637.952
where: short stacking energy: -690.521
Base-Backbone interact. energy: -2.219
local terms energy: -769.980916
where:
bonds (distance) C4'-P energy: -131.824
bonds (distance) P-C4' energy: -150.479
flat angles C4'-P-C4' energy: -173.178
flat angles P-C4'-P energy: -111.159
tors. eta vs tors. theta energy: -203.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2292.178313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.178313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.178313 (E_RNA)
where:
Base-Base interactions energy: -1545.728
where: short stacking energy: -662.089
Base-Backbone interact. energy: -2.403
local terms energy: -744.047470
where:
bonds (distance) C4'-P energy: -145.738
bonds (distance) P-C4' energy: -160.232
flat angles C4'-P-C4' energy: -160.753
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -191.450
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: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2061.146992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.146992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.146992 (E_RNA)
where:
Base-Base interactions energy: -1398.137
where: short stacking energy: -586.076
Base-Backbone interact. energy: -3.588
local terms energy: -659.421754
where:
bonds (distance) C4'-P energy: -113.698
bonds (distance) P-C4' energy: -148.890
flat angles C4'-P-C4' energy: -146.958
flat angles P-C4'-P energy: -100.932
tors. eta vs tors. theta energy: -148.943
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: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1665.217528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.217528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.217528 (E_RNA)
where:
Base-Base interactions energy: -1060.942
where: short stacking energy: -523.709
Base-Backbone interact. energy: 2.867
local terms energy: -607.142577
where:
bonds (distance) C4'-P energy: -131.688
bonds (distance) P-C4' energy: -123.270
flat angles C4'-P-C4' energy: -147.477
flat angles P-C4'-P energy: -96.367
tors. eta vs tors. theta energy: -108.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1294.593743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.593743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.593743 (E_RNA)
where:
Base-Base interactions energy: -722.932
where: short stacking energy: -363.868
Base-Backbone interact. energy: -6.018
local terms energy: -565.643015
where:
bonds (distance) C4'-P energy: -147.892
bonds (distance) P-C4' energy: -136.473
flat angles C4'-P-C4' energy: -121.880
flat angles P-C4'-P energy: -85.995
tors. eta vs tors. theta energy: -73.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1214.419240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.419240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.419240 (E_RNA)
where:
Base-Base interactions energy: -723.700
where: short stacking energy: -363.501
Base-Backbone interact. energy: -3.502
local terms energy: -487.217139
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -133.177
flat angles C4'-P-C4' energy: -95.492
flat angles P-C4'-P energy: -96.375
tors. eta vs tors. theta energy: -34.140
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -743.788298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.788298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.788298 (E_RNA)
where:
Base-Base interactions energy: -340.756
where: short stacking energy: -210.014
Base-Backbone interact. energy: -4.113
local terms energy: -398.919365
where:
bonds (distance) C4'-P energy: -134.659
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -101.304
flat angles P-C4'-P energy: -70.653
tors. eta vs tors. theta energy: 39.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2714.387037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.387037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.387037 (E_RNA)
where:
Base-Base interactions energy: -1859.124
where: short stacking energy: -793.463
Base-Backbone interact. energy: -3.150
local terms energy: -852.112407
where:
bonds (distance) C4'-P energy: -149.696
bonds (distance) P-C4' energy: -165.397
flat angles C4'-P-C4' energy: -182.419
flat angles P-C4'-P energy: -129.689
tors. eta vs tors. theta energy: -224.912
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: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2706.821868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.821868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.821868 (E_RNA)
where:
Base-Base interactions energy: -1858.004
where: short stacking energy: -749.069
Base-Backbone interact. energy: -3.216
local terms energy: -845.601288
where:
bonds (distance) C4'-P energy: -161.372
bonds (distance) P-C4' energy: -151.016
flat angles C4'-P-C4' energy: -184.428
flat angles P-C4'-P energy: -124.248
tors. eta vs tors. theta energy: -224.538
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: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2549.531894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.531894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.531894 (E_RNA)
where:
Base-Base interactions energy: -1763.623
where: short stacking energy: -705.867
Base-Backbone interact. energy: 3.055
local terms energy: -788.963111
where:
bonds (distance) C4'-P energy: -141.291
bonds (distance) P-C4' energy: -157.971
flat angles C4'-P-C4' energy: -174.651
flat angles P-C4'-P energy: -99.317
tors. eta vs tors. theta energy: -215.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2381.763068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.763068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.763068 (E_RNA)
where:
Base-Base interactions energy: -1648.252
where: short stacking energy: -686.360
Base-Backbone interact. energy: -0.921
local terms energy: -732.590231
where:
bonds (distance) C4'-P energy: -124.910
bonds (distance) P-C4' energy: -154.491
flat angles C4'-P-C4' energy: -149.085
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -192.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2292.517195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.517195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.517195 (E_RNA)
where:
Base-Base interactions energy: -1544.494
where: short stacking energy: -676.850
Base-Backbone interact. energy: 1.786
local terms energy: -749.809164
where:
bonds (distance) C4'-P energy: -151.549
bonds (distance) P-C4' energy: -131.657
flat angles C4'-P-C4' energy: -158.652
flat angles P-C4'-P energy: -96.042
tors. eta vs tors. theta energy: -211.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2123.985839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.985839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.985839 (E_RNA)
where:
Base-Base interactions energy: -1410.494
where: short stacking energy: -622.049
Base-Backbone interact. energy: 0.928
local terms energy: -714.419180
where:
bonds (distance) C4'-P energy: -127.728
bonds (distance) P-C4' energy: -151.230
flat angles C4'-P-C4' energy: -149.633
flat angles P-C4'-P energy: -109.941
tors. eta vs tors. theta energy: -175.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1576.131952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.131952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.131952 (E_RNA)
where:
Base-Base interactions energy: -1006.626
where: short stacking energy: -452.341
Base-Backbone interact. energy: -1.875
local terms energy: -567.630884
where:
bonds (distance) C4'-P energy: -126.103
bonds (distance) P-C4' energy: -128.840
flat angles C4'-P-C4' energy: -135.701
flat angles P-C4'-P energy: -84.420
tors. eta vs tors. theta energy: -92.567
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: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1307.035567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.035567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.035567 (E_RNA)
where:
Base-Base interactions energy: -762.573
where: short stacking energy: -392.911
Base-Backbone interact. energy: 4.861
local terms energy: -549.323573
where:
bonds (distance) C4'-P energy: -134.547
bonds (distance) P-C4' energy: -123.962
flat angles C4'-P-C4' energy: -127.330
flat angles P-C4'-P energy: -96.347
tors. eta vs tors. theta energy: -67.137
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: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1197.616680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.616680 (E_RNA)
where:
Base-Base interactions energy: -680.125
where: short stacking energy: -334.481
Base-Backbone interact. energy: -2.979
local terms energy: -514.513568
where:
bonds (distance) C4'-P energy: -125.095
bonds (distance) P-C4' energy: -148.057
flat angles C4'-P-C4' energy: -121.893
flat angles P-C4'-P energy: -71.648
tors. eta vs tors. theta energy: -47.821
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: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -742.975515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.975515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.975515 (E_RNA)
where:
Base-Base interactions energy: -325.558
where: short stacking energy: -208.505
Base-Backbone interact. energy: 1.502
local terms energy: -418.918867
where:
bonds (distance) C4'-P energy: -140.477
bonds (distance) P-C4' energy: -134.152
flat angles C4'-P-C4' energy: -114.519
flat angles P-C4'-P energy: -61.948
tors. eta vs tors. theta energy: 32.177
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: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2734.817096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.817096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.817096 (E_RNA)
where:
Base-Base interactions energy: -1852.733
where: short stacking energy: -790.637
Base-Backbone interact. energy: -5.278
local terms energy: -876.805729
where:
bonds (distance) C4'-P energy: -162.289
bonds (distance) P-C4' energy: -165.093
flat angles C4'-P-C4' energy: -183.366
flat angles P-C4'-P energy: -123.446
tors. eta vs tors. theta energy: -242.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2751.441400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.441400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.441400 (E_RNA)
where:
Base-Base interactions energy: -1924.329
where: short stacking energy: -788.369
Base-Backbone interact. energy: -0.888
local terms energy: -826.224110
where:
bonds (distance) C4'-P energy: -143.967
bonds (distance) P-C4' energy: -153.870
flat angles C4'-P-C4' energy: -176.949
flat angles P-C4'-P energy: -123.504
tors. eta vs tors. theta energy: -227.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2570.007454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.007454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.007454 (E_RNA)
where:
Base-Base interactions energy: -1821.599
where: short stacking energy: -724.961
Base-Backbone interact. energy: 3.408
local terms energy: -751.816596
where:
bonds (distance) C4'-P energy: -149.201
bonds (distance) P-C4' energy: -145.049
flat angles C4'-P-C4' energy: -161.655
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -193.412
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: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2409.514979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.514979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.514979 (E_RNA)
where:
Base-Base interactions energy: -1627.583
where: short stacking energy: -702.913
Base-Backbone interact. energy: -3.719
local terms energy: -778.213374
where:
bonds (distance) C4'-P energy: -137.259
bonds (distance) P-C4' energy: -147.161
flat angles C4'-P-C4' energy: -174.899
flat angles P-C4'-P energy: -108.319
tors. eta vs tors. theta energy: -210.575
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: 481
Temperature: 1.100000
Total energy: -2315.480099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.480099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.480099 (E_RNA)
where:
Base-Base interactions energy: -1542.150
where: short stacking energy: -652.003
Base-Backbone interact. energy: 2.545
local terms energy: -775.875347
where:
bonds (distance) C4'-P energy: -147.412
bonds (distance) P-C4' energy: -162.674
flat angles C4'-P-C4' energy: -161.231
flat angles P-C4'-P energy: -109.652
tors. eta vs tors. theta energy: -194.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2066.543715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.543715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.543715 (E_RNA)
where:
Base-Base interactions energy: -1394.627
where: short stacking energy: -586.138
Base-Backbone interact. energy: 3.039
local terms energy: -674.955886
where:
bonds (distance) C4'-P energy: -126.279
bonds (distance) P-C4' energy: -139.190
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -93.021
tors. eta vs tors. theta energy: -162.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1645.727578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.727578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.727578 (E_RNA)
where:
Base-Base interactions energy: -1047.188
where: short stacking energy: -467.993
Base-Backbone interact. energy: -0.769
local terms energy: -597.770085
where:
bonds (distance) C4'-P energy: -142.182
bonds (distance) P-C4' energy: -152.762
flat angles C4'-P-C4' energy: -134.010
flat angles P-C4'-P energy: -84.476
tors. eta vs tors. theta energy: -84.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1209.236903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.236903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.236903 (E_RNA)
where:
Base-Base interactions energy: -704.701
where: short stacking energy: -342.974
Base-Backbone interact. energy: 2.885
local terms energy: -507.420696
where:
bonds (distance) C4'-P energy: -113.309
bonds (distance) P-C4' energy: -140.909
flat angles C4'-P-C4' energy: -121.605
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -49.210
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: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1159.719026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.719026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.719026 (E_RNA)
where:
Base-Base interactions energy: -703.768
where: short stacking energy: -349.347
Base-Backbone interact. energy: -0.373
local terms energy: -455.577903
where:
bonds (distance) C4'-P energy: -108.747
bonds (distance) P-C4' energy: -142.363
flat angles C4'-P-C4' energy: -110.966
flat angles P-C4'-P energy: -64.304
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -719.901097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.901097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.901097 (E_RNA)
where:
Base-Base interactions energy: -319.134
where: short stacking energy: -202.812
Base-Backbone interact. energy: 7.213
local terms energy: -407.980379
where:
bonds (distance) C4'-P energy: -120.628
bonds (distance) P-C4' energy: -140.008
flat angles C4'-P-C4' energy: -113.360
flat angles P-C4'-P energy: -43.892
tors. eta vs tors. theta energy: 9.907
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: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2738.321229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.321229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.321229 (E_RNA)
where:
Base-Base interactions energy: -1885.866
where: short stacking energy: -809.084
Base-Backbone interact. energy: -2.428
local terms energy: -850.026616
where:
bonds (distance) C4'-P energy: -157.387
bonds (distance) P-C4' energy: -152.639
flat angles C4'-P-C4' energy: -187.373
flat angles P-C4'-P energy: -105.672
tors. eta vs tors. theta energy: -246.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2752.877811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.877811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.877811 (E_RNA)
where:
Base-Base interactions energy: -1913.152
where: short stacking energy: -766.080
Base-Backbone interact. energy: -3.618
local terms energy: -836.107836
where:
bonds (distance) C4'-P energy: -155.595
bonds (distance) P-C4' energy: -157.937
flat angles C4'-P-C4' energy: -172.496
flat angles P-C4'-P energy: -124.353
tors. eta vs tors. theta energy: -225.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2614.751313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.751313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.751313 (E_RNA)
where:
Base-Base interactions energy: -1821.099
where: short stacking energy: -746.568
Base-Backbone interact. energy: -2.124
local terms energy: -791.528859
where:
bonds (distance) C4'-P energy: -153.173
bonds (distance) P-C4' energy: -146.194
flat angles C4'-P-C4' energy: -174.489
flat angles P-C4'-P energy: -104.705
tors. eta vs tors. theta energy: -212.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2410.548082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.548082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.548082 (E_RNA)
where:
Base-Base interactions energy: -1634.332
where: short stacking energy: -694.197
Base-Backbone interact. energy: -1.522
local terms energy: -774.694368
where:
bonds (distance) C4'-P energy: -146.517
bonds (distance) P-C4' energy: -152.723
flat angles C4'-P-C4' energy: -170.666
flat angles P-C4'-P energy: -102.517
tors. eta vs tors. theta energy: -202.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2349.691821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.691821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.691821 (E_RNA)
where:
Base-Base interactions energy: -1587.333
where: short stacking energy: -679.629
Base-Backbone interact. energy: -1.183
local terms energy: -761.175398
where:
bonds (distance) C4'-P energy: -143.761
bonds (distance) P-C4' energy: -135.261
flat angles C4'-P-C4' energy: -169.824
flat angles P-C4'-P energy: -109.596
tors. eta vs tors. theta energy: -202.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2110.074415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.074415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.074415 (E_RNA)
where:
Base-Base interactions energy: -1420.510
where: short stacking energy: -615.208
Base-Backbone interact. energy: -2.583
local terms energy: -686.981283
where:
bonds (distance) C4'-P energy: -128.955
bonds (distance) P-C4' energy: -142.770
flat angles C4'-P-C4' energy: -155.842
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -167.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1581.825818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.825818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.825818 (E_RNA)
where:
Base-Base interactions energy: -976.458
where: short stacking energy: -440.068
Base-Backbone interact. energy: -3.662
local terms energy: -601.705692
where:
bonds (distance) C4'-P energy: -119.496
bonds (distance) P-C4' energy: -152.741
flat angles C4'-P-C4' energy: -144.899
flat angles P-C4'-P energy: -96.474
tors. eta vs tors. theta energy: -88.096
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: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1270.636247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.636247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.636247 (E_RNA)
where:
Base-Base interactions energy: -741.386
where: short stacking energy: -358.970
Base-Backbone interact. energy: 0.055
local terms energy: -529.304721
where:
bonds (distance) C4'-P energy: -125.751
bonds (distance) P-C4' energy: -134.091
flat angles C4'-P-C4' energy: -141.353
flat angles P-C4'-P energy: -74.464
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1115.987354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.987354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.987354 (E_RNA)
where:
Base-Base interactions energy: -689.772
where: short stacking energy: -323.205
Base-Backbone interact. energy: 6.090
local terms energy: -432.305063
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -121.649
flat angles C4'-P-C4' energy: -101.699
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: -39.867
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: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -789.096010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.096010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.096010 (E_RNA)
where:
Base-Base interactions energy: -351.876
where: short stacking energy: -211.201
Base-Backbone interact. energy: 0.440
local terms energy: -437.659916
where:
bonds (distance) C4'-P energy: -138.525
bonds (distance) P-C4' energy: -124.818
flat angles C4'-P-C4' energy: -100.862
flat angles P-C4'-P energy: -78.432
tors. eta vs tors. theta energy: 4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2766.463861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.463861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.463861 (E_RNA)
where:
Base-Base interactions energy: -1898.120
where: short stacking energy: -823.350
Base-Backbone interact. energy: -0.467
local terms energy: -867.876823
where:
bonds (distance) C4'-P energy: -151.977
bonds (distance) P-C4' energy: -163.874
flat angles C4'-P-C4' energy: -188.041
flat angles P-C4'-P energy: -124.583
tors. eta vs tors. theta energy: -239.403
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2682.918322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.918322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.918322 (E_RNA)
where:
Base-Base interactions energy: -1867.450
where: short stacking energy: -764.282
Base-Backbone interact. energy: 0.536
local terms energy: -816.003978
where:
bonds (distance) C4'-P energy: -150.271
bonds (distance) P-C4' energy: -162.999
flat angles C4'-P-C4' energy: -175.344
flat angles P-C4'-P energy: -111.426
tors. eta vs tors. theta energy: -215.964
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: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2585.518498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.518498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.518498 (E_RNA)
where:
Base-Base interactions energy: -1820.864
where: short stacking energy: -737.128
Base-Backbone interact. energy: -0.577
local terms energy: -764.636602
where:
bonds (distance) C4'-P energy: -151.711
bonds (distance) P-C4' energy: -152.618
flat angles C4'-P-C4' energy: -155.249
flat angles P-C4'-P energy: -103.712
tors. eta vs tors. theta energy: -201.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.559 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2369.472390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.472390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.472390 (E_RNA)
where:
Base-Base interactions energy: -1586.082
where: short stacking energy: -690.456
Base-Backbone interact. energy: -2.104
local terms energy: -781.286943
where:
bonds (distance) C4'-P energy: -153.214
bonds (distance) P-C4' energy: -153.340
flat angles C4'-P-C4' energy: -162.592
flat angles P-C4'-P energy: -103.945
tors. eta vs tors. theta energy: -208.196
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: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2308.214719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.214719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.214719 (E_RNA)
where:
Base-Base interactions energy: -1531.949
where: short stacking energy: -673.988
Base-Backbone interact. energy: 0.304
local terms energy: -776.569268
where:
bonds (distance) C4'-P energy: -143.515
bonds (distance) P-C4' energy: -170.373
flat angles C4'-P-C4' energy: -164.562
flat angles P-C4'-P energy: -106.122
tors. eta vs tors. theta energy: -191.998
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: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2086.265467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.265467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.265467 (E_RNA)
where:
Base-Base interactions energy: -1348.059
where: short stacking energy: -570.640
Base-Backbone interact. energy: -3.717
local terms energy: -734.489292
where:
bonds (distance) C4'-P energy: -150.206
bonds (distance) P-C4' energy: -149.537
flat angles C4'-P-C4' energy: -171.378
flat angles P-C4'-P energy: -103.956
tors. eta vs tors. theta energy: -159.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1618.729805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.729805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.729805 (E_RNA)
where:
Base-Base interactions energy: -988.889
where: short stacking energy: -451.262
Base-Backbone interact. energy: 9.585
local terms energy: -639.426156
where:
bonds (distance) C4'-P energy: -147.044
bonds (distance) P-C4' energy: -131.458
flat angles C4'-P-C4' energy: -146.508
flat angles P-C4'-P energy: -107.109
tors. eta vs tors. theta energy: -107.308
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: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1232.558317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.558317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.558317 (E_RNA)
where:
Base-Base interactions energy: -683.251
where: short stacking energy: -365.666
Base-Backbone interact. energy: -1.376
local terms energy: -547.931126
where:
bonds (distance) C4'-P energy: -130.248
bonds (distance) P-C4' energy: -146.920
flat angles C4'-P-C4' energy: -109.670
flat angles P-C4'-P energy: -100.028
tors. eta vs tors. theta energy: -61.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1069.727626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.727626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.727626 (E_RNA)
where:
Base-Base interactions energy: -579.428
where: short stacking energy: -300.919
Base-Backbone interact. energy: -2.080
local terms energy: -488.219259
where:
bonds (distance) C4'-P energy: -122.378
bonds (distance) P-C4' energy: -129.371
flat angles C4'-P-C4' energy: -143.229
flat angles P-C4'-P energy: -67.254
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -730.619144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.619144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.619144 (E_RNA)
where:
Base-Base interactions energy: -293.317
where: short stacking energy: -195.968
Base-Backbone interact. energy: 11.627
local terms energy: -448.928819
where:
bonds (distance) C4'-P energy: -129.709
bonds (distance) P-C4' energy: -135.776
flat angles C4'-P-C4' energy: -125.585
flat angles P-C4'-P energy: -58.174
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2702.638344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.638344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.638344 (E_RNA)
where:
Base-Base interactions energy: -1848.173
where: short stacking energy: -782.671
Base-Backbone interact. energy: -3.415
local terms energy: -851.049613
where:
bonds (distance) C4'-P energy: -152.470
bonds (distance) P-C4' energy: -151.199
flat angles C4'-P-C4' energy: -184.378
flat angles P-C4'-P energy: -132.377
tors. eta vs tors. theta energy: -230.625
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2742.219576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.219576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.219576 (E_RNA)
where:
Base-Base interactions energy: -1912.322
where: short stacking energy: -788.479
Base-Backbone interact. energy: -4.299
local terms energy: -825.599276
where:
bonds (distance) C4'-P energy: -150.026
bonds (distance) P-C4' energy: -149.157
flat angles C4'-P-C4' energy: -182.678
flat angles P-C4'-P energy: -124.016
tors. eta vs tors. theta energy: -219.722
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: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2604.201922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.201922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.201922 (E_RNA)
where:
Base-Base interactions energy: -1833.408
where: short stacking energy: -737.451
Base-Backbone interact. energy: -0.429
local terms energy: -770.365321
where:
bonds (distance) C4'-P energy: -147.747
bonds (distance) P-C4' energy: -161.149
flat angles C4'-P-C4' energy: -154.125
flat angles P-C4'-P energy: -101.466
tors. eta vs tors. theta energy: -205.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2393.040375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.040375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.040375 (E_RNA)
where:
Base-Base interactions energy: -1601.729
where: short stacking energy: -671.315
Base-Backbone interact. energy: -0.755
local terms energy: -790.556195
where:
bonds (distance) C4'-P energy: -150.915
bonds (distance) P-C4' energy: -148.319
flat angles C4'-P-C4' energy: -166.532
flat angles P-C4'-P energy: -121.168
tors. eta vs tors. theta energy: -203.622
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2339.376060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.376060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.376060 (E_RNA)
where:
Base-Base interactions energy: -1584.809
where: short stacking energy: -675.615
Base-Backbone interact. energy: 0.324
local terms energy: -754.891646
where:
bonds (distance) C4'-P energy: -117.936
bonds (distance) P-C4' energy: -152.488
flat angles C4'-P-C4' energy: -179.524
flat angles P-C4'-P energy: -99.944
tors. eta vs tors. theta energy: -205.000
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: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2040.210411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.210411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.210411 (E_RNA)
where:
Base-Base interactions energy: -1331.346
where: short stacking energy: -604.143
Base-Backbone interact. energy: 3.820
local terms energy: -712.683859
where:
bonds (distance) C4'-P energy: -134.966
bonds (distance) P-C4' energy: -148.774
flat angles C4'-P-C4' energy: -172.107
flat angles P-C4'-P energy: -84.204
tors. eta vs tors. theta energy: -172.633
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1633.704273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.704273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.704273 (E_RNA)
where:
Base-Base interactions energy: -1038.434
where: short stacking energy: -471.290
Base-Backbone interact. energy: -2.199
local terms energy: -593.071626
where:
bonds (distance) C4'-P energy: -129.633
bonds (distance) P-C4' energy: -124.963
flat angles C4'-P-C4' energy: -135.482
flat angles P-C4'-P energy: -84.947
tors. eta vs tors. theta energy: -118.046
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: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1261.206442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.206442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.206442 (E_RNA)
where:
Base-Base interactions energy: -735.379
where: short stacking energy: -377.376
Base-Backbone interact. energy: 0.604
local terms energy: -526.431813
where:
bonds (distance) C4'-P energy: -134.549
bonds (distance) P-C4' energy: -145.519
flat angles C4'-P-C4' energy: -113.692
flat angles P-C4'-P energy: -79.424
tors. eta vs tors. theta energy: -53.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1063.165554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.165554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.165554 (E_RNA)
where:
Base-Base interactions energy: -567.627
where: short stacking energy: -272.648
Base-Backbone interact. energy: -1.208
local terms energy: -494.331004
where:
bonds (distance) C4'-P energy: -149.079
bonds (distance) P-C4' energy: -140.624
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -689.478925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.478925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.478925 (E_RNA)
where:
Base-Base interactions energy: -265.778
where: short stacking energy: -141.678
Base-Backbone interact. energy: -1.986
local terms energy: -421.714515
where:
bonds (distance) C4'-P energy: -142.240
bonds (distance) P-C4' energy: -125.409
flat angles C4'-P-C4' energy: -105.390
flat angles P-C4'-P energy: -78.429
tors. eta vs tors. theta energy: 29.753
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: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2761.503837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.503837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.503837 (E_RNA)
where:
Base-Base interactions energy: -1849.556
where: short stacking energy: -800.268
Base-Backbone interact. energy: -7.922
local terms energy: -904.026031
where:
bonds (distance) C4'-P energy: -150.477
bonds (distance) P-C4' energy: -176.644
flat angles C4'-P-C4' energy: -195.244
flat angles P-C4'-P energy: -138.164
tors. eta vs tors. theta energy: -243.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2744.228838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.228838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.228838 (E_RNA)
where:
Base-Base interactions energy: -1898.445
where: short stacking energy: -770.951
Base-Backbone interact. energy: -1.615
local terms energy: -844.169297
where:
bonds (distance) C4'-P energy: -158.981
bonds (distance) P-C4' energy: -155.301
flat angles C4'-P-C4' energy: -190.336
flat angles P-C4'-P energy: -114.204
tors. eta vs tors. theta energy: -225.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2554.480088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.480088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.480088 (E_RNA)
where:
Base-Base interactions energy: -1799.970
where: short stacking energy: -732.365
Base-Backbone interact. energy: -1.949
local terms energy: -752.561567
where:
bonds (distance) C4'-P energy: -159.552
bonds (distance) P-C4' energy: -131.802
flat angles C4'-P-C4' energy: -168.057
flat angles P-C4'-P energy: -93.780
tors. eta vs tors. theta energy: -199.371
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: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2367.905790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.905790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.905790 (E_RNA)
where:
Base-Base interactions energy: -1602.017
where: short stacking energy: -672.005
Base-Backbone interact. energy: -1.630
local terms energy: -764.259511
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -150.311
flat angles C4'-P-C4' energy: -172.744
flat angles P-C4'-P energy: -96.216
tors. eta vs tors. theta energy: -194.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2357.456672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.456672 (E_RNA)
where:
Base-Base interactions energy: -1568.328
where: short stacking energy: -680.992
Base-Backbone interact. energy: 3.363
local terms energy: -792.491700
where:
bonds (distance) C4'-P energy: -157.978
bonds (distance) P-C4' energy: -150.543
flat angles C4'-P-C4' energy: -167.240
flat angles P-C4'-P energy: -111.636
tors. eta vs tors. theta energy: -205.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1952.123751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.123751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.123751 (E_RNA)
where:
Base-Base interactions energy: -1285.997
where: short stacking energy: -588.090
Base-Backbone interact. energy: -2.073
local terms energy: -664.053615
where:
bonds (distance) C4'-P energy: -123.945
bonds (distance) P-C4' energy: -140.089
flat angles C4'-P-C4' energy: -150.412
flat angles P-C4'-P energy: -81.697
tors. eta vs tors. theta energy: -167.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1629.972796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.972796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.972796 (E_RNA)
where:
Base-Base interactions energy: -1003.102
where: short stacking energy: -470.324
Base-Backbone interact. energy: -3.024
local terms energy: -623.847395
where:
bonds (distance) C4'-P energy: -141.873
bonds (distance) P-C4' energy: -157.744
flat angles C4'-P-C4' energy: -154.396
flat angles P-C4'-P energy: -77.375
tors. eta vs tors. theta energy: -92.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1222.156965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.156965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.156965 (E_RNA)
where:
Base-Base interactions energy: -680.112
where: short stacking energy: -310.976
Base-Backbone interact. energy: -5.272
local terms energy: -536.772450
where:
bonds (distance) C4'-P energy: -148.031
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -121.842
flat angles P-C4'-P energy: -84.972
tors. eta vs tors. theta energy: -57.461
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: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1076.514478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.514478 (E_RNA)
where:
Base-Base interactions energy: -596.406
where: short stacking energy: -296.918
Base-Backbone interact. energy: 2.307
local terms energy: -482.414959
where:
bonds (distance) C4'-P energy: -132.293
bonds (distance) P-C4' energy: -133.986
flat angles C4'-P-C4' energy: -124.051
flat angles P-C4'-P energy: -70.601
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -706.973232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.973232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.973232 (E_RNA)
where:
Base-Base interactions energy: -305.515
where: short stacking energy: -185.391
Base-Backbone interact. energy: -2.180
local terms energy: -399.278612
where:
bonds (distance) C4'-P energy: -120.421
bonds (distance) P-C4' energy: -133.681
flat angles C4'-P-C4' energy: -132.514
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: 25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2756.352177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.352177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.352177 (E_RNA)
where:
Base-Base interactions energy: -1854.295
where: short stacking energy: -778.914
Base-Backbone interact. energy: -3.598
local terms energy: -898.459430
where:
bonds (distance) C4'-P energy: -159.558
bonds (distance) P-C4' energy: -185.170
flat angles C4'-P-C4' energy: -183.978
flat angles P-C4'-P energy: -124.313
tors. eta vs tors. theta energy: -245.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2733.730604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.730604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.730604 (E_RNA)
where:
Base-Base interactions energy: -1918.080
where: short stacking energy: -774.125
Base-Backbone interact. energy: 4.552
local terms energy: -820.202425
where:
bonds (distance) C4'-P energy: -142.536
bonds (distance) P-C4' energy: -162.708
flat angles C4'-P-C4' energy: -185.071
flat angles P-C4'-P energy: -120.837
tors. eta vs tors. theta energy: -209.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2615.518076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.518076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.518076 (E_RNA)
where:
Base-Base interactions energy: -1835.616
where: short stacking energy: -719.755
Base-Backbone interact. energy: -2.659
local terms energy: -777.242594
where:
bonds (distance) C4'-P energy: -161.568
bonds (distance) P-C4' energy: -161.067
flat angles C4'-P-C4' energy: -156.786
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -199.652
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: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2371.617932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.617932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.617932 (E_RNA)
where:
Base-Base interactions energy: -1593.697
where: short stacking energy: -679.585
Base-Backbone interact. energy: -1.074
local terms energy: -776.846236
where:
bonds (distance) C4'-P energy: -160.531
bonds (distance) P-C4' energy: -158.345
flat angles C4'-P-C4' energy: -151.237
flat angles P-C4'-P energy: -111.400
tors. eta vs tors. theta energy: -195.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2336.768392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.768392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.768392 (E_RNA)
where:
Base-Base interactions energy: -1556.234
where: short stacking energy: -683.496
Base-Backbone interact. energy: 2.357
local terms energy: -782.891842
where:
bonds (distance) C4'-P energy: -152.475
bonds (distance) P-C4' energy: -155.197
flat angles C4'-P-C4' energy: -161.028
flat angles P-C4'-P energy: -111.512
tors. eta vs tors. theta energy: -202.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2063.868851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.868851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.868851 (E_RNA)
where:
Base-Base interactions energy: -1360.380
where: short stacking energy: -625.872
Base-Backbone interact. energy: -0.382
local terms energy: -703.106693
where:
bonds (distance) C4'-P energy: -142.193
bonds (distance) P-C4' energy: -137.358
flat angles C4'-P-C4' energy: -156.862
flat angles P-C4'-P energy: -94.866
tors. eta vs tors. theta energy: -171.828
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: 486
Temperature: 1.200000
Total energy: -1608.115022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.115022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.115022 (E_RNA)
where:
Base-Base interactions energy: -1024.542
where: short stacking energy: -453.928
Base-Backbone interact. energy: 3.023
local terms energy: -586.595682
where:
bonds (distance) C4'-P energy: -119.891
bonds (distance) P-C4' energy: -147.497
flat angles C4'-P-C4' energy: -137.812
flat angles P-C4'-P energy: -97.644
tors. eta vs tors. theta energy: -83.752
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1220.796434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.796434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.796434 (E_RNA)
where:
Base-Base interactions energy: -708.727
where: short stacking energy: -324.725
Base-Backbone interact. energy: -1.661
local terms energy: -510.408017
where:
bonds (distance) C4'-P energy: -127.316
bonds (distance) P-C4' energy: -146.887
flat angles C4'-P-C4' energy: -119.017
flat angles P-C4'-P energy: -77.496
tors. eta vs tors. theta energy: -39.691
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: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1140.709053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.709053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.709053 (E_RNA)
where:
Base-Base interactions energy: -700.192
where: short stacking energy: -362.660
Base-Backbone interact. energy: 3.305
local terms energy: -443.821716
where:
bonds (distance) C4'-P energy: -127.668
bonds (distance) P-C4' energy: -103.387
flat angles C4'-P-C4' energy: -101.826
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -50.035
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: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -684.071801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.071801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.071801 (E_RNA)
where:
Base-Base interactions energy: -287.282
where: short stacking energy: -166.184
Base-Backbone interact. energy: 1.743
local terms energy: -398.532577
where:
bonds (distance) C4'-P energy: -98.522
bonds (distance) P-C4' energy: -156.676
flat angles C4'-P-C4' energy: -121.393
flat angles P-C4'-P energy: -69.600
tors. eta vs tors. theta energy: 47.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2759.909408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.909408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.909408 (E_RNA)
where:
Base-Base interactions energy: -1869.788
where: short stacking energy: -806.685
Base-Backbone interact. energy: -3.185
local terms energy: -886.936043
where:
bonds (distance) C4'-P energy: -159.367
bonds (distance) P-C4' energy: -165.601
flat angles C4'-P-C4' energy: -187.247
flat angles P-C4'-P energy: -134.974
tors. eta vs tors. theta energy: -239.748
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2716.062473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.062473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.062473 (E_RNA)
where:
Base-Base interactions energy: -1871.336
where: short stacking energy: -756.931
Base-Backbone interact. energy: -5.239
local terms energy: -839.488161
where:
bonds (distance) C4'-P energy: -157.845
bonds (distance) P-C4' energy: -164.672
flat angles C4'-P-C4' energy: -182.584
flat angles P-C4'-P energy: -122.534
tors. eta vs tors. theta energy: -211.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2585.289274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.289274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.289274 (E_RNA)
where:
Base-Base interactions energy: -1800.016
where: short stacking energy: -722.285
Base-Backbone interact. energy: 1.740
local terms energy: -787.013198
where:
bonds (distance) C4'-P energy: -153.909
bonds (distance) P-C4' energy: -158.037
flat angles C4'-P-C4' energy: -178.274
flat angles P-C4'-P energy: -107.520
tors. eta vs tors. theta energy: -189.272
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: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2359.794483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.794483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.794483 (E_RNA)
where:
Base-Base interactions energy: -1596.490
where: short stacking energy: -688.685
Base-Backbone interact. energy: 0.739
local terms energy: -764.043852
where:
bonds (distance) C4'-P energy: -144.996
bonds (distance) P-C4' energy: -148.374
flat angles C4'-P-C4' energy: -174.826
flat angles P-C4'-P energy: -107.245
tors. eta vs tors. theta energy: -188.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2339.244007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.244007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.244007 (E_RNA)
where:
Base-Base interactions energy: -1551.664
where: short stacking energy: -664.795
Base-Backbone interact. energy: -2.089
local terms energy: -785.491123
where:
bonds (distance) C4'-P energy: -147.547
bonds (distance) P-C4' energy: -146.793
flat angles C4'-P-C4' energy: -179.937
flat angles P-C4'-P energy: -109.223
tors. eta vs tors. theta energy: -201.991
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: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2075.170483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.170483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.170483 (E_RNA)
where:
Base-Base interactions energy: -1389.813
where: short stacking energy: -596.736
Base-Backbone interact. energy: 2.175
local terms energy: -687.532136
where:
bonds (distance) C4'-P energy: -126.410
bonds (distance) P-C4' energy: -141.463
flat angles C4'-P-C4' energy: -161.217
flat angles P-C4'-P energy: -104.751
tors. eta vs tors. theta energy: -153.691
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: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1696.681615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.681615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.681615 (E_RNA)
where:
Base-Base interactions energy: -1099.546
where: short stacking energy: -476.056
Base-Backbone interact. energy: 0.767
local terms energy: -597.902062
where:
bonds (distance) C4'-P energy: -144.488
bonds (distance) P-C4' energy: -146.984
flat angles C4'-P-C4' energy: -133.911
flat angles P-C4'-P energy: -76.574
tors. eta vs tors. theta energy: -95.946
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: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1280.612559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.612559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.612559 (E_RNA)
where:
Base-Base interactions energy: -771.866
where: short stacking energy: -349.696
Base-Backbone interact. energy: -1.329
local terms energy: -507.417917
where:
bonds (distance) C4'-P energy: -131.706
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -117.670
flat angles P-C4'-P energy: -91.299
tors. eta vs tors. theta energy: -40.587
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: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1092.254257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.254257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.254257 (E_RNA)
where:
Base-Base interactions energy: -591.809
where: short stacking energy: -290.448
Base-Backbone interact. energy: -1.865
local terms energy: -498.579860
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -120.578
flat angles P-C4'-P energy: -95.268
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -672.865977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.865977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.865977 (E_RNA)
where:
Base-Base interactions energy: -267.088
where: short stacking energy: -192.608
Base-Backbone interact. energy: -0.215
local terms energy: -405.562719
where:
bonds (distance) C4'-P energy: -152.858
bonds (distance) P-C4' energy: -120.024
flat angles C4'-P-C4' energy: -91.966
flat angles P-C4'-P energy: -72.014
tors. eta vs tors. theta energy: 31.298
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: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2769.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.128647 (E_RNA)
where:
Base-Base interactions energy: -1929.941
where: short stacking energy: -781.639
Base-Backbone interact. energy: -3.827
local terms energy: -835.361012
where:
bonds (distance) C4'-P energy: -160.938
bonds (distance) P-C4' energy: -168.213
flat angles C4'-P-C4' energy: -172.488
flat angles P-C4'-P energy: -121.810
tors. eta vs tors. theta energy: -211.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2707.023604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.023604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.023604 (E_RNA)
where:
Base-Base interactions energy: -1883.171
where: short stacking energy: -803.184
Base-Backbone interact. energy: -3.351
local terms energy: -820.501516
where:
bonds (distance) C4'-P energy: -132.160
bonds (distance) P-C4' energy: -148.046
flat angles C4'-P-C4' energy: -172.758
flat angles P-C4'-P energy: -116.263
tors. eta vs tors. theta energy: -251.274
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: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2571.029789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.029789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.029789 (E_RNA)
where:
Base-Base interactions energy: -1790.858
where: short stacking energy: -706.066
Base-Backbone interact. energy: -1.424
local terms energy: -778.747768
where:
bonds (distance) C4'-P energy: -162.947
bonds (distance) P-C4' energy: -153.442
flat angles C4'-P-C4' energy: -160.573
flat angles P-C4'-P energy: -111.206
tors. eta vs tors. theta energy: -190.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2378.123630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.123630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.123630 (E_RNA)
where:
Base-Base interactions energy: -1615.021
where: short stacking energy: -702.803
Base-Backbone interact. energy: 2.853
local terms energy: -765.955027
where:
bonds (distance) C4'-P energy: -146.450
bonds (distance) P-C4' energy: -129.550
flat angles C4'-P-C4' energy: -175.373
flat angles P-C4'-P energy: -111.635
tors. eta vs tors. theta energy: -202.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2318.775378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.775378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.775378 (E_RNA)
where:
Base-Base interactions energy: -1563.202
where: short stacking energy: -678.262
Base-Backbone interact. energy: -4.206
local terms energy: -751.367424
where:
bonds (distance) C4'-P energy: -136.863
bonds (distance) P-C4' energy: -141.923
flat angles C4'-P-C4' energy: -165.525
flat angles P-C4'-P energy: -106.799
tors. eta vs tors. theta energy: -200.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2066.853964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.853964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.853964 (E_RNA)
where:
Base-Base interactions energy: -1393.613
where: short stacking energy: -607.820
Base-Backbone interact. energy: -0.927
local terms energy: -672.314049
where:
bonds (distance) C4'-P energy: -123.367
bonds (distance) P-C4' energy: -153.846
flat angles C4'-P-C4' energy: -144.414
flat angles P-C4'-P energy: -77.728
tors. eta vs tors. theta energy: -172.960
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: 488
Temperature: 1.200000
Total energy: -1690.388026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.388026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.388026 (E_RNA)
where:
Base-Base interactions energy: -1083.067
where: short stacking energy: -494.719
Base-Backbone interact. energy: 0.371
local terms energy: -607.691844
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -144.324
flat angles C4'-P-C4' energy: -144.070
flat angles P-C4'-P energy: -78.255
tors. eta vs tors. theta energy: -106.068
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: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1263.239913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.239913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.239913 (E_RNA)
where:
Base-Base interactions energy: -732.166
where: short stacking energy: -315.929
Base-Backbone interact. energy: 7.547
local terms energy: -538.620746
where:
bonds (distance) C4'-P energy: -138.061
bonds (distance) P-C4' energy: -145.406
flat angles C4'-P-C4' energy: -138.712
flat angles P-C4'-P energy: -95.123
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1184.829937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.829937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.829937 (E_RNA)
where:
Base-Base interactions energy: -674.322
where: short stacking energy: -343.782
Base-Backbone interact. energy: 3.760
local terms energy: -514.268038
where:
bonds (distance) C4'-P energy: -134.939
bonds (distance) P-C4' energy: -135.455
flat angles C4'-P-C4' energy: -117.705
flat angles P-C4'-P energy: -78.624
tors. eta vs tors. theta energy: -47.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -729.091849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.091849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.091849 (E_RNA)
where:
Base-Base interactions energy: -332.809
where: short stacking energy: -197.041
Base-Backbone interact. energy: -2.729
local terms energy: -393.553626
where:
bonds (distance) C4'-P energy: -116.823
bonds (distance) P-C4' energy: -126.767
flat angles C4'-P-C4' energy: -109.914
flat angles P-C4'-P energy: -70.932
tors. eta vs tors. theta energy: 30.884
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)
out arg RESULTS//1/RydC_and_cfa_1741227-0e4facc7_01
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2815.326939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.326939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.326939 (E_RNA)
where:
Base-Base interactions energy: -1937.758
where: short stacking energy: -778.118
Base-Backbone interact. energy: -2.292
local terms energy: -875.277389
where:
bonds (distance) C4'-P energy: -161.363
bonds (distance) P-C4' energy: -172.554
flat angles C4'-P-C4' energy: -200.671
flat angles P-C4'-P energy: -117.178
tors. eta vs tors. theta energy: -223.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2707.783345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.783345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.783345 (E_RNA)
where:
Base-Base interactions energy: -1846.161
where: short stacking energy: -797.479
Base-Backbone interact. energy: -3.575
local terms energy: -858.047547
where:
bonds (distance) C4'-P energy: -153.633
bonds (distance) P-C4' energy: -156.606
flat angles C4'-P-C4' energy: -177.314
flat angles P-C4'-P energy: -128.504
tors. eta vs tors. theta energy: -241.991
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: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2546.268945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.268945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.268945 (E_RNA)
where:
Base-Base interactions energy: -1768.870
where: short stacking energy: -711.340
Base-Backbone interact. energy: -3.544
local terms energy: -773.854156
where:
bonds (distance) C4'-P energy: -148.512
bonds (distance) P-C4' energy: -158.041
flat angles C4'-P-C4' energy: -169.021
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -195.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2388.344842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.344842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.344842 (E_RNA)
where:
Base-Base interactions energy: -1592.510
where: short stacking energy: -695.703
Base-Backbone interact. energy: -0.622
local terms energy: -795.212862
where:
bonds (distance) C4'-P energy: -155.730
bonds (distance) P-C4' energy: -156.866
flat angles C4'-P-C4' energy: -167.822
flat angles P-C4'-P energy: -117.094
tors. eta vs tors. theta energy: -197.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2274.651906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.651906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.651906 (E_RNA)
where:
Base-Base interactions energy: -1518.863
where: short stacking energy: -635.960
Base-Backbone interact. energy: 2.652
local terms energy: -758.441044
where:
bonds (distance) C4'-P energy: -147.903
bonds (distance) P-C4' energy: -160.673
flat angles C4'-P-C4' energy: -155.466
flat angles P-C4'-P energy: -109.110
tors. eta vs tors. theta energy: -185.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2010.456862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.456862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.456862 (E_RNA)
where:
Base-Base interactions energy: -1320.341
where: short stacking energy: -585.845
Base-Backbone interact. energy: -5.635
local terms energy: -684.481122
where:
bonds (distance) C4'-P energy: -132.682
bonds (distance) P-C4' energy: -149.824
flat angles C4'-P-C4' energy: -158.387
flat angles P-C4'-P energy: -90.158
tors. eta vs tors. theta energy: -153.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1695.737601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.737601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.737601 (E_RNA)
where:
Base-Base interactions energy: -1059.659
where: short stacking energy: -505.054
Base-Backbone interact. energy: -0.508
local terms energy: -635.570597
where:
bonds (distance) C4'-P energy: -123.777
bonds (distance) P-C4' energy: -142.289
flat angles C4'-P-C4' energy: -153.350
flat angles P-C4'-P energy: -104.685
tors. eta vs tors. theta energy: -111.469
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: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1236.340314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.340314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.340314 (E_RNA)
where:
Base-Base interactions energy: -686.365
where: short stacking energy: -341.524
Base-Backbone interact. energy: -2.111
local terms energy: -547.863652
where:
bonds (distance) C4'-P energy: -123.348
bonds (distance) P-C4' energy: -151.125
flat angles C4'-P-C4' energy: -138.820
flat angles P-C4'-P energy: -87.340
tors. eta vs tors. theta energy: -47.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1049.812280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.812280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.812280 (E_RNA)
where:
Base-Base interactions energy: -569.156
where: short stacking energy: -270.825
Base-Backbone interact. energy: 0.851
local terms energy: -481.507839
where:
bonds (distance) C4'-P energy: -111.534
bonds (distance) P-C4' energy: -132.060
flat angles C4'-P-C4' energy: -117.949
flat angles P-C4'-P energy: -92.609
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -736.749529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.749529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.749529 (E_RNA)
where:
Base-Base interactions energy: -340.590
where: short stacking energy: -202.307
Base-Backbone interact. energy: -2.090
local terms energy: -394.070100
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -117.441
flat angles C4'-P-C4' energy: -120.478
flat angles P-C4'-P energy: -48.007
tors. eta vs tors. theta energy: 21.911
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)